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5-[4-benzoyl-2,3-bis[(6-diazonio-5-oxido-1-naphthyl)sulfonyloxy]phenoxy]sulfonyl-2-diazonio-naphthalen-1-olate
5-[4-benzoyl-2,3-bis[(6-diazonio-5-oxido-1-naphthyl)sulfonyloxy]phenoxy]sulfonyl-2-diazonio-naphthalen-1-olate ID: AN-19132
CAS:5610-94-6
Supplier:AN PharmaTech Co Ltd

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SMILES:S(=O)(=O)(Oc1c(OS(=O)(=O)c2c3c(ccc2)c([O-])c([N+]#N)cc3)c(ccc1OS(=O)(=O)c1c2c(ccc1)c([O-])c([N+]#N)cc2)C(=O)c1ccccc1)c1c2c(ccc1)c([O-])c([N+]#N)cc2	79715
FORMULA: C43H22N6O13S3
MASS: 926.8622
EXACT MASS: 926.0406978
INTERATOMIC DISTANCES

              S   1      S   2      S   3      O   4      O   5      O   6
              ------------------------------------------------------------------
   S   1    0.0000 
   S   2    2.6458     0.0000 
   S   3    2.6458     4.5826     0.0000 
   O   4    1.0000     1.7320     3.0001     0.0000 
   O   5    3.0000     1.0000     4.3590     2.0000     0.0000 
   O   6    1.7320     3.6055     1.0000     2.0000     3.4641     0.0000 
   O   7    1.0001     2.5036     3.6327     1.4142     3.1623     2.7321 
   O   8    0.9999     3.1196     1.6745     1.4142     3.1623     0.7321 
   O   9    1.6745     1.0000     3.6524     0.7320     1.4142     2.6593 
   O  10    3.6326     1.0000     5.5372     2.7320     1.4142     4.5747 
   O  11    2.5036     4.8716     1.0000     3.1623     4.8440     1.4142 
   O  12    3.1195     4.5020     0.9999     3.1623     4.0665     1.4141 
   O  13    4.5826     2.6457     5.2915     3.6055     1.7321     4.5826 
   O  14    4.3971     6.5800     5.6257     5.3257     7.2401     5.3435 
   O  15    5.6256     4.3971     8.2415     5.3434     5.3257     7.2663 
   O  16    6.5799     8.9202     4.3971     7.2401     8.7559     5.3256 
   N  17    4.6176     6.0996     6.6026     5.3208     6.9489     6.0415 
   N  18    6.6027     4.6176     9.0415     6.0415     5.3208     8.0415 
   N  19    6.0995     8.6809     4.6176     6.9489     8.7437     5.3207 
   N  20    5.6023     6.9432     7.5959     6.2732     7.8288     7.0415 
   N  21    7.5959     5.6023    10.0415     7.0415     6.2732     9.0415 
   N  22    6.9431     9.5573     5.6023     7.8288     9.6673     6.2733 
   C  23    1.7320     1.9999     2.6458     1.0000     1.7320     1.7321 
   C  24    2.6457     1.7320     3.4641     1.7321     1.0000     2.6458 
   C  25    1.0000     3.6055     2.6458     2.0000     4.0000     2.0000 
   C  26    2.6458     1.0000     5.0001     2.0000     1.9999     4.0000 
   C  27    1.9999     2.9999     1.7321     1.7320     2.6457     1.0000 
   C  28    1.7702     4.0244     3.6451     2.6800     4.6130     3.0417 
   C  29    3.6451     1.7702     6.0417     3.0416     2.6799     5.0416 
   C  30    3.6055     5.5678     1.0000     4.0000     5.2916     2.0000 
   C  31    3.4641     2.6457     3.6056     2.6457     1.7320     3.0000 
   C  32    4.0244     6.2778     1.7702     4.6130     6.1194     2.6800 
   C  33    2.6838     5.0244     4.0516     3.6402     5.5989     3.6553 
   C  34    4.0517     2.6838     6.6084     3.6552     3.6402     5.6185 
   C  35    5.0244     7.2457     2.6838     5.5990     7.0395     3.6402 
   C  36    3.0000     3.6056     2.0000     2.6458     3.0001     1.7321 
   C  37    3.6055     3.4641     3.0000     3.0000     2.6458     2.6457 
   C  38    1.7702     4.3948     1.9830     2.6800     4.6130     1.7366 
   C  39    1.9831     1.7702     4.5730     1.7366     2.6799     3.5981 
   C  40    4.3947     6.0243     1.7701     4.6129     5.5866     2.6799 
   C  41    2.0316     3.6263     4.3886     2.6751     4.3833     3.6366 
   C  42    4.3886     2.0316     6.5890     3.6366     2.6750     5.5992 
   C  43    3.0692     5.6325     3.6709     4.0692     6.0692     3.5360 
   C  44    3.6710     3.0693     6.3116     3.5360     4.0693     5.3596 
   C  45    4.3589     3.0000     4.5826     3.4641     2.0000     4.0000 
   C  46    3.6263     6.1078     2.0316     4.3833     6.1107     2.6751 
   C  47    5.6324     7.6213     3.0692     6.0692     7.2840     4.0692 
   C  48    2.7151     5.3609     2.6818     3.6747     5.6362     2.7011 
   C  49    3.5023     5.5900     5.0516     4.3925     6.2730     4.6307 
   C  50    5.0516     3.5022     7.5995     4.6307     4.3925     6.6068 
   C  51    2.6818     2.7152     5.3273     2.7011     3.6747     4.3990 
   C  52    5.5899     7.9675     3.5022     6.2730     7.8458     4.3925 
   C  53    5.3609     7.0659     2.7152     5.6363     6.6199     3.6748 
   C  54    3.0316     4.3764     5.3257     3.6330     5.2169     4.6160 
   C  55    5.3257     3.0316     7.5827     4.6161     3.6330     6.5905 
   C  56    3.6414     5.3105     5.6118     4.3895     6.1061     5.0416 
   C  57    5.6118     3.6414     8.0416     5.0415     4.3895     7.0416 
   C  58    4.3764     6.9489     3.0315     5.2169     7.0244     3.6330 
   C  59    5.3105     7.8342     3.6413     6.1061     7.8390     4.3895 
   C  60    5.1961     4.0000     5.0000     4.3589     3.0000     4.5826 
   C  61    5.2915     4.5826     4.5826     4.5826     3.6056     4.3589 
   C  62    6.0828     4.5826     6.0000     5.1962     3.6056     5.5678 
   C  63    6.2450     5.5677     5.2915     5.5678     4.5826     5.1961 
   C  64    6.9282     5.5678     6.5574     6.0828     4.5826     6.2450 
   C  65    7.0000     6.0000     6.2450     6.2450     5.0000     6.0828 
   H  66    3.3533     4.2101     1.7733     3.1408     3.6201     1.8397 
   H  67    4.2100     4.0131     3.3532     3.6200     3.1408     3.1407 
   H  68    1.8858     4.3751     1.3634     2.6445     4.4573     1.2531 
   H  69    1.3634     1.8858     3.9682     1.2531     2.6444     3.0035 
   H  70    4.3751     5.7471     1.8858     4.4573     5.2267     2.6445 
   H  71    1.7969     3.0272     4.3525     2.2400     3.8203     3.5074 
   H  72    4.3525     1.7969     6.3714     3.5073     2.2399     5.4003 
   H  73    3.6892     6.2441     4.1376     4.6891     6.6891     4.0918 
   H  74    4.1377     3.6892     6.7830     4.0918     4.6891     5.8526 
   H  75    3.0272     5.5510     1.7969     3.8203     5.6086     2.2399 
   H  76    6.2441     8.2388     3.6892     6.6891     7.8902     4.6891 
   H  77    3.2148     5.8494     2.6593     4.1356     6.0531     2.9009 
   H  78    2.6593     3.2148     5.2621     2.9009     4.1355     4.3891 
   H  79    5.8493     7.4048     3.2147     6.0530     6.8912     4.1355 
   H  80    3.3810     4.3461     5.8044     3.8480     5.2497     5.0394 
   H  81    5.8044     3.3810     7.9629     5.0394     3.8480     6.9812 
   H  82    4.3461     6.9718     3.3809     5.2497     7.1345     3.8480 
   H  83    4.8398     4.4186     3.9754     4.2029     3.4849     3.7979 
   H  84    6.1648     4.4186     6.3328     5.2330     3.4849     5.8193 
   H  85    6.4221     5.9770     5.2100     5.8193     5.0104     5.2330 
   H  86    7.4716     5.9770     7.1725     6.6019     5.0105     6.8429 
   H  87    7.5792     6.6199     6.7055     6.8428     5.6200     6.6018 

              O   7      O   8      O   9      O  10      O  11      O  12
              ------------------------------------------------------------------
   O   7    0.0000 
   O   8    2.0000     0.0000 
   O   9    1.7527     2.1298     0.0000 
   O  10    3.3858     4.1143     1.9999     0.0000 
   O  11    3.3859     1.7527     3.8823     5.8645     0.0000 
   O  12    4.1144     2.1297     3.6888     5.3784     2.0000     0.0000 
   O  13    4.8716     4.5020     3.1196     2.5036     5.9941     4.6981 
   O  14    4.0920     4.8913     5.8261     7.3925     4.7083     6.5671 
   O  15    4.7082     6.5671     4.8913     4.0920     8.0930     8.5057 
   O  16    7.3926     5.8260     7.9475     9.8983     4.0920     4.8912 
   N  17    3.9105     5.4178     5.5981     6.7135     5.8448     7.4180 
   N  18    5.8447     7.4181     5.4179     3.9105     9.1001     9.0932 
   N  19    6.7135     5.5980     7.6809     9.6808     3.9104     5.4178 
   N  20    4.8591     6.4156     6.5088     7.4867     6.8223     8.4172 
   N  21    6.8222     8.4173     6.4156     4.8591    10.0954    10.0869 
   N  22    7.4868     6.5088     8.5592    10.5557     4.8591     6.4156 
   C  23    2.3941     1.5060     1.2392     2.9092     3.1197     2.5036 
   C  24    3.1196     2.5036     1.5059     2.3941     4.0576     3.0880 
   C  25    1.4142     1.4142     2.6593     4.5747     2.1298     3.3858 
   C  26    2.1298     3.3859     1.4142     1.4141     5.0991     5.0990 
   C  27    2.9093     1.2393     2.1917     3.8981     2.3942     1.5060 
   C  28    1.5276     2.4359     3.2032     4.9124     3.0024     4.4224 
   C  29    3.0023     4.4225     2.4359     1.5275     6.1232     6.1245 
   C  30    4.5748     2.6593     4.6484     6.5109     1.4141     1.4142 
   C  31    4.0576     3.0880     2.5035     3.1196     4.3814     2.9672 
   C  32    4.9125     3.2032     5.3114     7.2534     1.5275     2.4359 
   C  33    2.5258     3.1664     4.1939     5.9077     3.2249     4.9428 
   C  34    3.2248     4.9428     3.1664     2.5257     6.5531     6.8116 
   C  35    5.9078     4.1939     6.2894     8.2124     2.5257     3.1664 
   C  36    3.8983     2.1918     2.9671     4.3814     2.9093     1.2393 
   C  37    4.3813     2.9671     3.0880     4.0576     3.8983     2.1918 
   C  38    2.4360     1.5276     3.4027     5.3898     1.2084     2.8990 
   C  39    1.2084     2.8991     1.5276     2.4359     4.4838     4.8703 
   C  40    5.3898     3.4026     5.1858     6.9060     2.4358     1.5275 
   C  41    1.2676     2.9407     2.9929     4.3980     3.8743     5.0506 
   C  42    3.8743     5.0506     2.9407     1.2676     6.7934     6.5329 
   C  43    3.2207     3.2354     4.7156     6.5736     2.7209     4.6418 
   C  44    2.7210     4.6420     3.2356     3.2206     6.1055     6.6630 
   C  45    4.8440     4.0664     3.1622     3.1623     5.3785     3.8822 
   C  46    4.3981     2.9929     5.1116     7.1051     1.2676     2.9407 
   C  47    6.5737     4.7156     6.7144     8.5489     3.2206     3.2354 
   C  48    3.1856     2.5682     4.3830     6.3456     1.7040     3.6714 
   C  49    3.1143     4.1027     4.8595     6.3938     4.2169     5.9375 
   C  50    4.2168     5.9375     4.1027     3.1143     7.5530     7.7754 
   C  51    1.7040     3.6715     2.5683     3.1855     5.0774     5.7427 
   C  52    6.3938     4.8595     6.9870     8.9524     3.1142     4.1027 
   C  53    6.3457     4.3831     6.2218     7.9462     3.1856     2.5683 
   C  54    2.2195     3.9312     3.8709     5.0321     4.7321     6.0275 
   C  55    4.7321     6.0276     3.9312     2.2196     7.7625     7.5325 
   C  56    2.9954     4.4211     4.7236     6.0076     4.8764     6.4190 
   C  57    4.8764     6.4191     4.4212     2.9954     8.1059     8.1011 
   C  58    5.0322     3.8708     5.9489     7.9489     2.2195     3.9312 
   C  59    6.0076     4.7235     6.8363     8.8327     2.9953     4.4211 
   C  60    5.7616     4.7753     4.1230     4.1231     5.8873     4.1641 
   C  61    5.9940     4.6981     4.5019     4.8716     5.5372     3.6524 
   C  62    6.5724     5.7275     4.8715     4.5020     6.8842     5.1583 
   C  63    6.9757     5.5982     5.5015     5.8079     6.2763     4.3137 
   C  64    7.4785     6.4863     5.8079     5.5016     7.4916     5.6459 
   C  65    7.6590     6.4296     6.0827     6.0828     7.2197     5.2798 
   H  66    4.3029     2.4443     3.5291     4.9994     2.7584     0.8248 
   H  67    4.9995     3.5291     3.6933     4.5353     4.3028     2.4443 
   H  68    2.7268     1.2953     3.3758     5.3747     0.6750     2.2938 
   H  69    0.6751     2.2939     1.2952     2.7266     3.8638     4.3086 
   H  70    5.3748     3.3758     4.9697     6.5849     2.7268     1.2953 
   H  71    0.8501     2.7812     2.4573     3.7802     3.9719     4.9104 
   H  72    3.9718     4.9103     2.7812     0.8501     6.6631     6.2283 
   H  73    3.8123     3.8323     5.3331     7.1788     3.1560     5.1263 
   H  74    3.1559     5.1263     3.8324     3.8123     6.5107     7.1852 
   H  75    3.7802     2.4572     4.5517     6.5506     0.8500     2.7811 
   H  76    7.1789     5.3331     7.3341     9.1632     3.8123     3.8323 
   H  77    3.7650     2.9146     4.8584     6.8430     1.6626     3.6577 
   H  78    1.6626     3.6577     2.9146     3.7649     4.8996     5.7768 
   H  79    6.8430     4.8583     6.6027     8.2502     3.7649     2.9145 
   H  80    2.4698     4.3314     3.9750     4.8966     5.2665     6.4533 
   H  81    5.2664     6.4533     4.3315     2.4699     8.2005     7.8465 
   H  82    4.8967     3.9749     5.9769     7.9680     2.4698     4.3314 
   H  83    5.5993     4.1828     4.2093     4.8301     4.9387     3.0361 
   H  84    6.5671     5.9061     4.8301     4.2094     7.1761     5.5418 
   H  85    7.2096     5.7018     5.8239     6.2873     6.2078     4.2133 
   H  86    7.9846     7.0638     6.2873     5.8240     8.1021     6.2647 
   H  87    8.2570     6.9793     6.6950     6.6951     7.6917     5.7242 

              O  13      O  14      O  15      O  16      N  17      N  18
              ------------------------------------------------------------------
   O  13    0.0000 
   O  14    8.9202     0.0000 
   O  15    6.5800     6.9720     0.0000 
   O  16    9.5856     6.9720    12.0759     0.0000 
   N  17    8.6809     2.0000     5.3283     8.7575     0.0000 
   N  18    6.0995     8.7575     2.0000    13.1825     7.2441     0.0000 
   N  19    9.8808     5.3283    11.2016     2.0000     7.2440    12.5471 
   N  20    9.5572     2.6457     5.5969     9.5814     1.0000     7.5770 
   N  21    6.9431     9.5814     2.6458    14.1750     7.9741     1.0000 
   N  22   10.8468     5.5969    11.8513     2.6458     7.5769    13.2818 
   C  23    3.0000     6.1226     6.1302     7.0367     6.2764     6.5945 
   C  24    2.0000     7.0366     6.1226     7.8509     7.0272     6.2764 
   C  25    5.5678     3.5081     6.0615     6.0144     4.0415     7.2587 
   C  26    3.6055     6.0145     3.5081     9.1911     5.3031     4.0415 
   C  27    3.6055     6.1303     7.0500     6.1226     6.5945     7.5875 
   C  28    6.2778     2.6457     5.6205     6.5853     3.0000     7.0481 
   C  29    4.0244     6.5854     2.6457    10.2139     5.5812     3.0000 
   C  30    6.0828     6.0615     9.2220     3.5080     7.2587    10.0415 
   C  31    1.7320     7.8509     7.0366     7.8570     7.9665     7.0272 
   C  32    7.0402     5.6206     9.6202     2.6457     7.0481    10.6067 
   C  33    7.2457     1.7320     6.2955     6.2796     2.6457     7.8561 
   C  34    5.0244     6.2796     1.7320    10.6066     5.0216     2.6458 
   C  35    7.8557     6.2955    10.6160     1.7320     7.8561    11.6040 
   C  36    3.4641     7.0501     7.8570     6.1303     7.5876     8.2195 
   C  37    2.6457     7.8570     7.8509     7.0501     8.2194     7.9665 
   C  38    6.0244     3.6691     7.1032     4.9727     4.6536     8.2740 
   C  39    4.3948     4.9728     3.6691     8.5433     4.3345     4.6536 
   C  40    6.0903     7.1031     9.9355     3.6691     8.2738    10.6014 
   C  41    6.1078     2.9999     4.6348     7.5769     2.6457     6.1292 
   C  42    3.6263     7.5769     3.0000    10.8766     6.5721     2.6458 
   C  43    7.6213     2.0074     7.3065     5.2946     3.4922     8.8096 
   C  44    5.6325     5.2947     2.0072    10.0695     3.9804     3.4922 
   C  45    1.0000     8.7559     7.2401     8.7667     8.7438     6.9489 
   C  46    7.2414     4.6348     9.0760     2.9999     6.1292    10.2140 
   C  47    7.8828     7.3065    11.2580     2.0073     8.8096    12.1107 
   C  48    7.0658     3.0489     7.6702     4.5422     4.4241     9.0001 
   C  49    7.9676     1.0000     6.1291     7.0386     1.7320     7.8519 
   C  50    5.5899     7.0386     1.0000    11.6039     5.5969     1.7321 
   C  51    5.3609     4.5422     3.0489     9.0280     3.5508     4.4241 
   C  52    8.7598     6.1292    11.0759     1.0000     7.8518    12.1913 
   C  53    7.0531     7.6703    10.9410     3.0489     9.0001    11.6389 
   C  54    6.9489     2.6457     4.4063     8.2169     1.7320     6.1238 
   C  55    4.3764     8.2170     2.6458    11.8513     7.0215     1.7320 
   C  56    7.8343     1.7320     5.2400     7.9740     1.0000     7.0387 
   C  57    5.3105     7.9741     1.7321    12.1913     6.5855     1.0000 
   C  58    8.2134     4.4063     9.6098     2.6457     6.1237    10.8767 
   C  59    8.9223     5.2400    10.6066     1.7320     7.0386    11.8513 
   C  60    1.7320     9.5806     8.2126     8.9415     9.6714     7.8278 
   C  61    2.6458     9.5856     8.9202     8.2414     9.8808     8.6809 
   C  62    2.0000    10.4794     8.5647     9.9031    10.4654     7.9487 
   C  63    3.4641    10.4884     9.8792     8.6033    10.8496     9.5575 
   C  64    3.0000    11.3110     9.5593    10.2062    11.3845     8.8977 
   C  65    3.6056    11.3152    10.1737     9.5989    11.5630     9.6567 
   H  66    4.0130     7.1685     8.4186     5.6345     7.8571     8.8270 
   H  67    2.8293     8.4186     8.4095     7.1684     8.8270     8.4429 
   H  68    5.7471     4.2751     7.4349     4.6959     5.2633     8.4872 
   H  69    4.3751     4.6960     4.2751     7.9265     4.3118     5.2633 
   H  70    5.5975     7.4349     9.8007     4.2751     8.4871    10.3562 
   H  71    5.5511     3.6200     4.2567     7.8405     3.1408     5.6325 
   H  72    3.0272     7.8404     3.6200    10.7171     6.9639     3.1408 
   H  73    8.2388     1.7865     7.7435     5.2284     3.5458     9.3095 
   H  74    6.2441     5.2284     1.7865    10.4044     3.7258     3.5458 
   H  75    6.8212     4.2567     8.4559     3.6200     5.6325     9.6029 
   H  76    8.4491     7.7436    11.8692     1.7865     9.3095    12.7306 
   H  77    7.4049     3.4079     8.2870     3.9369     4.9367     9.5965 
   H  78    5.8493     3.9370     3.4078     8.7434     2.9509     4.9366 
   H  79    7.1811     8.2870    11.3851     3.4078     9.5964    12.0062 
   H  80    6.9718     3.1408     3.8434     8.8232     1.8397     5.6229 
   H  81    4.3461     8.8232     3.1408    12.2777     7.6415     1.8397 
   H  82    8.4182     3.8434     9.3629     3.1407     5.6229    10.7172 
   H  83    2.8292     9.0736     8.8053     7.6360     9.4521     8.7064 
   H  84    1.7733    10.5538     8.2135    10.3515    10.4216     7.4883 
   H  85    4.0130    10.5683    10.3315     8.2573    11.0397    10.0848 
   H  86    3.3533    11.8635     9.8319    10.8180    11.8805     9.0540 
   H  87    4.2100    11.8699    10.7845     9.8764    12.1563    10.2366 

              N  19      N  20      N  21      N  22      C  23      C  24
              ------------------------------------------------------------------
   N  19    0.0000 
   N  20    7.9740     0.0000 
   N  21   13.5122     8.2170     0.0000 
   N  22    1.0001     8.2170    14.2323     0.0000 
   C  23    7.0272     7.2413     7.5861     7.9628     0.0000 
   C  24    7.9664     7.9627     7.2413     8.9156     1.0000     0.0000 
   C  25    5.3030     5.0415     8.2348     6.0930     2.6457     3.6055 
   C  26    8.7329     6.0931     5.0415     9.5513     2.6457     2.6457 
   C  27    6.2764     7.5862     8.5809     7.2413     1.0000     1.7320 
   C  28    5.5811     4.0000     7.9865     6.2517     3.5022     4.3948 
   C  29    9.6940     6.2517     4.0000    10.4858     3.6469     3.5022 
   C  30    4.0414     8.2347    11.0414     5.0415     3.6056     4.3589 
   C  31    8.2194     8.9155     7.9626     9.1980     1.7321     1.0000 
   C  32    2.9999     7.9865    11.6040     4.0000     4.3949     5.2343 
   C  33    5.0215     3.6055     8.7651     5.5812     4.3994     5.3294 
   C  34    9.9070     5.5812     3.6055    10.6361     4.4055     4.3994 
   C  35    2.6457     8.7651    12.6017     3.6056     5.3295     6.1242 
   C  36    6.5945     8.5810     9.1980     7.5862     1.7322     2.0000 
   C  37    7.5875     9.1979     8.9155     8.5810     2.0000     1.7320 
   C  38    4.3344     5.6387     9.2555     5.1733     3.0245     4.0245 
   C  39    7.9197     5.1733     5.6387     8.6949     2.6578     3.0245 
   C  40    4.6536     9.2554    11.5974     5.6387     4.0245     4.6001 
   C  41    6.5720     3.6055     7.0481     7.2198     3.6358     4.3872 
   C  42   10.4857     7.2198     3.6056    11.3105     4.0315     3.6358 
   C  43    3.9803     4.3829     9.7366     4.5505     4.6550     5.6398 
   C  44    9.2144     4.5506     4.3828     9.8893     4.4319     4.6551 
   C  45    9.2001     9.6672     7.8288    10.1826     2.6458     1.7321 
   C  46    2.6457     7.0481    11.2017     3.6055     4.3873     5.3208 
   C  47    3.4922     9.7365    13.1107     4.3829     5.6399     6.3181 
   C  48    3.5507     5.3544     9.9623     4.3012     4.0659     5.0658 
   C  49    5.5968     2.6457     8.7041     6.0215     5.2342     6.1176 
   C  50   10.8766     6.0215     2.6458    11.5878     5.3358     5.2342 
   C  51    8.1896     4.3011     5.3544     8.8831     3.6643     4.0659 
   C  52    1.7320     8.7041    13.1825     2.6458     6.1177     6.9662 
   C  53    4.4241     9.9624    12.6356     5.3545     5.0660     5.6295 
   C  54    7.0214     2.6457     6.9721     7.5653     4.6110     5.3170 
   C  55   11.4062     7.5654     2.6457    12.2098     5.0315     4.6111 
   C  56    6.5853     2.0000     7.8519     7.0215     5.3245     6.1122 
   C  57   11.5878     7.0215     2.0000    12.3392     5.6058     5.3246 
   C  58    1.7320     6.9720    11.8513     2.6458     5.3170     6.2716 
   C  59    1.0000     7.8518    12.8298     2.0000     6.1123     7.0315 
   C  60    9.5779    10.6084     8.6751    10.5735     3.4641     2.6457 
   C  61    9.0415    10.8468     9.5572    10.0415     3.6056     3.0000 
   C  62   10.5744    11.3801     8.7261    11.5707     4.3589     3.4641 
   C  63    9.5835    11.8210    10.4071    10.5805     4.5826     4.0000 
   C  64   11.0414    12.3122     9.6494    12.0415     5.1962     4.3589 
   C  65   10.5795    12.5181    10.4496    11.5771     5.2915     4.5826 
   H  66    6.2385     8.8561     9.8081     7.2371     2.2902     2.6200 
   H  67    7.8570     9.8080     9.3762     8.8560     2.6201     2.2901 
   H  68    4.3117     6.2515     9.4791     5.2145     2.7783     3.7624 
   H  69    7.3355     5.2145     6.2514     8.1286     2.2376     2.7782 
   H  70    5.2633     9.4791    11.3462     6.2515     3.7625     4.2286 
   H  71    6.9638     4.0601     6.5737     7.6596     3.2323     3.9035 
   H  72   10.4396     7.6596     4.0601    11.2952     3.7536     3.2324 
   H  73    3.7258     4.3536    10.2208     4.1840     5.2672     6.2547 
   H  74    9.4490     4.1840     4.3536    10.0782     5.0120     5.2672 
   H  75    3.1408     6.5737    10.5890     4.0602     3.9035     4.8649 
   H  76    3.5458    10.2209    13.7306     4.3537     6.2548     6.9193 
   H  77    2.9508     5.8381    10.5631     3.7384     4.4190     5.4126 
   H  78    7.7952     3.7384     5.8380     8.4477     3.8966     4.4190 
   H  79    4.9366    10.5630    12.9986     5.8381     5.4126     5.8923 
   H  80    7.6414     2.6009     6.4410     8.1821     4.8453     5.4638 
   H  81   11.9009     8.1820     2.6008    12.7220     5.3639     4.8454 
   H  82    1.8396     6.4410    11.6786     2.6009     5.4639     6.4439 
   H  83    8.4214    10.4286     9.6133     9.4215     3.2069     2.7430 
   H  84   10.9378    11.3119     8.2339    11.9292     4.4726     3.5191 
   H  85    9.3420    12.0221    10.9501    10.3329     4.8213     4.3433 
   H  86   11.6615    12.7959     9.7614    12.6615     5.7415     4.8708 
   H  87   10.9457    13.1156    11.0153    11.9392     5.8808     5.1927 

              C  25      C  26      C  27      C  28      C  29      C  30
              ------------------------------------------------------------------
   C  25    0.0000 
   C  26    3.4641     0.0000 
   C  27    2.6457     3.6055     0.0000 
   C  28    1.0416     3.6212     3.6469     0.0000 
   C  29    4.3955     1.0416     4.6242     4.3987     0.0000 
   C  30    3.4641     6.0000     2.6458     4.3955     7.0416     0.0000 
   C  31    4.3589     3.6055     2.0000     5.2342     4.3947     4.3590 
   C  32    3.6212     6.5861     3.5023     4.3987     7.6188     1.0416 
   C  33    1.7760     4.5981     4.4056     1.0000     5.3283     4.6336 
   C  34    4.6336     1.7761     5.3396     4.4063     1.0000     7.6009 
   C  35    4.5980     7.5793     4.3994     5.3283     8.6138     1.7760 
   C  36    3.6056     4.3589     1.0001     4.6242     5.3322     2.6458 
   C  37    4.3589     4.3588     1.7321     5.3322     5.2342     3.6056 
   C  38    1.0417     4.3988     2.6579     1.8002     5.3703     2.6170 
   C  39    2.6171     1.0417     3.4683     2.6197     1.8001     5.5567 
   C  40    4.3987     6.5860     3.0245     5.3702     7.6197     1.0416 
   C  41    1.7603     3.0145     4.0316     1.0000     3.6387     5.2243 
   C  42    5.2243     1.7602     5.0315     5.3283     1.0000     7.5814 
   C  43    2.0693     5.3493     4.4319     1.7760     6.1671     4.0555 
   C  44    4.0556     2.0694     5.2681     3.6402     1.7761     7.2764 
   C  45    5.2915     4.0000     3.0000     6.1193     4.6130     5.2915 
   C  46    3.0145     6.2667     3.6359     3.6387     7.2713     1.7603 
   C  47    5.3492     8.0692     4.6551     6.1670     9.1108     2.0693 
   C  48    1.8001     5.2642     3.6643     2.0693     6.1853     3.0146 
   C  49    2.6902     5.0145     5.3359     1.7320     5.5969     5.6207 
   C  50    5.6207     2.6902     6.2908     5.3408     1.7320     8.5939 
   C  51    3.0146     1.8002     4.4108     2.6328     2.0693     6.2775 
   C  52    5.0144     8.2102     5.2343     5.5968     9.2289     2.6902 
   C  53    5.2642     7.6178     4.0660     6.1854     8.6536     1.8002 
   C  54    2.6798     3.6181     5.0315     1.7320     4.0216     6.1169 
   C  55    6.1170     2.6799     6.0315     6.1238     1.7321     8.5768 
   C  56    3.0415     4.5956     5.6058     2.0000     5.0216     6.2901 
   C  57    6.2902     3.0416     6.5961     6.1292     2.0000     9.0416 
   C  58    3.6180     7.0167     4.6111     4.0216     7.9904     2.6798 
   C  59    4.5955     7.9562     5.3246     5.0215     8.9442     3.0415 
   C  60    6.0828     4.9999     3.6055     6.9663     5.5971     5.5678 
   C  61    6.0828     5.5677     3.4641     7.0402     6.2778     5.0001 
   C  62    7.0000     5.5677     4.5826     7.8472     6.0244     6.5575 
   C  63    7.0000     6.5574     4.3589     7.9779     7.2429     5.5678 
   C  64    7.8103     6.5574     5.2915     8.6983     7.0244     7.0001 
   C  65    7.8103     7.0000     5.1962     8.7576     7.5779     6.5575 
   H  66    3.8242     4.9340     1.4159     4.8631     5.9219     2.2146 
   H  67    4.9340     4.9340     2.2901     5.9218     5.7786     3.8242 
   H  68    1.4559     4.5185     2.2377     2.3594     5.5287     2.0364 
   H  69    2.0365     1.4559     2.9550     2.1895     2.3593     4.9469 
   H  70    4.5185     6.3829     2.7783     5.5287     7.4022     1.4559 
   H  71    1.8547     2.3945     3.7537     1.4158     3.0426     5.2522 
   H  72    5.2522     1.8547     4.7456     5.4749     1.4158     7.3502 
   H  73    2.6893     5.9358     5.0120     2.3299     6.7281     4.4155 
   H  74    4.4155     2.6893     5.8202     3.8741     2.3300     7.7307 
   H  75    2.3944     5.6721     3.2324     3.0426     6.6694     1.8547 
   H  76    5.9358     8.6891     5.2673     6.7281     9.7307     2.6893 
   H  77    2.3594     5.8130     3.8966     2.6893     6.7549     2.7798 
   H  78    2.7799     2.3594     4.5396     2.2146     2.6893     6.1736 
   H  79    5.8129     8.0109     4.4190     6.7548     9.0386     2.3593 
   H  80    3.1709     3.4955     5.3639     2.2901     3.7430     6.6321 
   H  81    6.6321     3.1709     6.3594     6.6882     2.2901     8.9487 
   H  82    3.4955     6.9507     4.8454     3.7430     7.8907     3.1708 
   H  83    5.5843     5.3762     2.9435     6.5649     6.1609     4.3800 
   H  84    7.1151     5.3762     4.8212     7.9095     5.7364     6.9530 
   H  85    7.1151     6.9530     4.4726     8.1187     7.6874     5.3763 
   H  86    8.3705     6.9530     5.8809     9.2399     7.3515     7.6201 
   H  87    8.3704     7.6199     5.7414     9.3301     8.1938     6.9531 

              C  31      C  32      C  33      C  34      C  35      C  36
              ------------------------------------------------------------------
   C  31    0.0000 
   C  32    5.3322     0.0000 
   C  33    6.1242     4.4063     0.0000 
   C  34    5.3294     8.0760     5.2400     0.0000 
   C  35    6.1287     1.0000     5.2400     9.0760     0.0000 
   C  36    1.7321     3.6469     5.3397     6.1287     4.4056     0.0000 
   C  37    1.0000     4.6243     6.1287     6.1242     5.3397     1.0000 
   C  38    4.6002     2.6196     2.0694     5.6608     3.5788     3.4684 
   C  39    4.0244     6.0070     3.5789     2.0693     7.0069     4.3679 
   C  40    4.3679     1.8001     5.6607     8.2663     2.0693     2.6578 
   C  41    5.3208     5.3283     1.7320     3.5081     6.2796     5.0316 
   C  42    4.3871     8.2476     6.2796     1.7320     9.2289     5.5987 
   C  43    6.3181     3.6401     1.0417     6.1736     4.3829     5.2680 
   C  44    5.6398     7.6306     4.3829     1.0416     8.6234     6.1556 
   C  45    1.0000     6.2861     7.0395     5.5989     7.0473     2.6458 
   C  46    5.5988     1.0000     3.5080     7.6188     1.7320     4.0316 
   C  47    6.1555     1.7760     6.1735     9.6574     1.0416     4.4318 
   C  48    5.6294     2.6328     1.8002     6.3578     3.4403     4.4108 
   C  49    6.9662     5.3408     1.0000     5.3283     6.1292     6.2909 
   C  50    6.1176     9.0760     6.1291     1.0000    10.0759     7.0430 
   C  51    5.0658     6.5999     3.4403     1.8001     7.5903     5.3467 
   C  52    7.0430     1.7320     5.3283     9.6098     1.0000     5.3359 
   C  53    5.3467     2.0694     6.3579     9.2843     1.8002     3.6644 
   C  54    6.2716     6.1237     2.0000     3.6387     7.0386     6.0316 
   C  55    5.3170     9.2290     7.0387     2.0000    10.2140     6.5870 
   C  56    7.0315     6.1292     1.7320     4.6133     6.9720     6.5961 
   C  57    6.1122     9.6099     6.9721     1.7321    10.6067     7.2469 
   C  58    6.5870     1.7320     3.6387     8.2476     2.0000     5.0315 
   C  59    7.2469     2.0000     4.6133     9.2289     1.7320     5.6058 
   C  60    1.7321     6.5993     7.8522     6.5876     7.2608     3.0000 
   C  61    2.0000     6.0417     7.8557     7.2457     6.6084     2.6457 
   C  62    2.6458     7.5917     8.7582     7.0244     8.2354     4.0000 
   C  63    3.0000     6.5982     8.7644     8.2187     7.0516     3.4641 
   C  64    3.4641     8.0417     9.5817     8.0243     8.5952     4.5826 
   C  65    3.6056     7.5908     9.5846     8.5728     8.0516     4.3589 
   H  66    2.2901     3.2488     5.4928     6.6955     3.9273     0.6200 
   H  67    1.4159     4.8630     6.6955     6.6889     5.4928     1.4157 
   H  68    4.2286     2.1894     2.6893     5.9170     3.1817     2.9551 
   H  69    3.7623     5.3870     3.1818     2.6893     6.3870     3.8948 
   H  70    3.8948     2.3594     5.9170     8.1043     2.6893     2.2376 
   H  71    4.8649     5.4749     2.2901     2.9907     6.4527     4.7457 
   H  72    3.9034     8.0745     6.4527     2.2901     9.0404     5.2259 
   H  73    6.9193     3.8741     1.4558     6.6869     4.5123     5.8203 
   H  74    6.2547     8.0267     4.5122     1.4559     9.0110     6.7271 
   H  75    5.2259     1.4158     2.9907     7.0026     2.2901     3.7537 
   H  76    6.7271     2.3299     6.6870    10.2739     1.4559     5.0120 
   H  77    5.8924     2.2145     2.3594     6.9576     2.9271     4.5396 
   H  78    5.4125     6.4010     2.9272     2.3593     7.3764     5.5115 
   H  79    5.5115     2.6892     6.9575     9.7082     2.3593     3.8965 
   H  80    6.4439     6.6882     2.6200     3.2336     7.6167     6.3595 
   H  81    5.4638     9.6428     7.6167     2.6200    10.6186     6.8425 
   H  82    6.8424     2.2901     3.2337     8.0745     2.6200     5.3639 
   H  83    1.7733     5.4216     7.3489     7.1019     5.9942     2.0698 
   H  84    2.8292     7.9767     8.8485     6.7322     8.6635     4.3433 
   H  85    3.3533     6.3867     8.8585     8.6496     6.7631     3.5191 
   H  86    4.0131     8.6617    10.1373     8.3487     9.2123     5.1928 
   H  87    4.2100     7.9753    10.1416     9.1895     8.3790     4.8707 

              C  37      C  38      C  39      C  40      C  41      C  42
              ------------------------------------------------------------------
   C  37    0.0000 
   C  38    4.3679     0.0000 
   C  39    4.6001     3.6212     0.0000 
   C  40    3.4684     3.6211     6.2720     0.0000 
   C  41    5.5987     2.7088     1.9729     6.1514     0.0000 
   C  42    5.3207     6.1515     2.7087     8.0559     4.6133     0.0000 
   C  43    6.1555     1.8001     4.3764     5.0970     2.6902     7.0813 
   C  44    6.3181     5.0972     1.8002     8.0395     2.6750     2.6902 
   C  45    1.7320     5.5866     4.6130     5.2003     6.1106     4.3833 
   C  46    5.0316     1.9728     5.5633     2.7087     4.6133     7.9904 
   C  47    5.2680     4.3763     7.6029     1.8001     7.0812     9.6420 
   C  48    5.3466     1.0416     4.3938     4.0559     3.0693     7.0244 
   C  49    7.0430     3.0693     3.9728     6.6520     2.0000     6.5854 
   C  50    6.9662     6.6521     3.0693     9.2434     4.4063     2.0000 
   C  51    5.6294     4.0561     1.0416     7.0737     1.7088     3.0693 
   C  52    6.2909     3.9728     7.5482     3.0693     6.5853     9.9070 
   C  53    4.4109     4.3938     7.2728     1.0417     7.0244     9.0974 
   C  54    6.5869     3.5322     2.6206     7.0743     1.0000     5.0216 
   C  55    6.2716     7.0744     3.5322     9.0558     5.3284     1.0001 
   C  56    7.2468     3.6767     3.5795     7.2973     1.7320     6.0215 
   C  57    7.0315     7.2974     3.6767     9.6062     5.2401     1.7321 
   C  58    6.0315     2.6205     6.2313     3.5321     5.0215     8.7649 
   C  59    6.5961     3.5795     7.2001     3.6766     6.0214     9.6940 
   C  60    2.0000     6.2590     5.5971     5.2877     7.0287     5.3143 
   C  61    1.7321     6.0903     6.0244     4.5729     7.2414     6.1078 
   C  62    3.0000     7.2266     6.2779     6.2390     7.8378     5.5864 
   C  63    2.6457     6.9323     7.0243     4.9828     8.2158     7.0237 
   C  64    3.6055     7.9492     7.2429     6.5454     8.7461     6.5754 
   C  65    3.4641     7.8170     7.5780     5.9828     8.9179     7.2318 
   H  66    1.4158     3.5160     4.8766     2.0781     5.3687     6.2120 
   H  67    0.6200     4.8766     5.2112     3.5160     6.2120     5.8029 
   H  68    3.8948     0.6200     3.8500     3.0197     3.2062     6.2404 
   H  69    4.2285     3.0199     0.6200     5.6825     1.7502     3.2061 
   H  70    2.9551     3.8499     6.1640     0.6200     6.2404     7.7711 
   H  71    5.2259     2.8838     1.3528     6.1219     0.6201     4.0075 
   H  72    4.8649     6.1219     2.8837     7.7558     4.8462     0.6200 
   H  73    6.7271     2.3593     4.9478     5.4495     3.1810     7.6563 
   H  74    6.9193     5.4496     2.3593     8.5288     2.8777     3.1811 
   H  75    4.7456     1.3528     4.9504     2.8837     4.0075     7.4052 
   H  76    5.8203     4.9478     8.2174     2.3594     7.6563    10.2606 
   H  77    5.5115     1.4559     4.9726     3.8023     3.6893     7.5721 
   H  78    5.8923     3.8025     1.4558     7.0287     1.2280     3.6892 
   H  79    4.5396     4.9724     7.7247     1.4559     7.5720     9.4318 
   H  80    6.8424     4.0793     2.5788     7.5664     1.4158     4.7363 
   H  81    6.4439     7.5665     4.0793     9.3740     5.9163     1.4158 
   H  82    6.3595     2.5787     6.1050     4.0792     4.7363     8.7097 
   H  83    1.2346     5.5341     5.7364     3.9670     6.8267     6.0902 
   H  84    3.3532     7.4256     6.1609     6.7022     7.8214     5.2166 
   H  85    2.8292     6.9563     7.3515     4.6992     8.4265     7.5218 
   H  86    4.2101     8.5384     7.6874     7.1600     9.2508     6.8337 
   H  87    4.0130     8.3384     8.1938     6.3124     9.5127     7.8345 

              C  43      C  44      C  45      C  46      C  47      C  48
              ------------------------------------------------------------------
   C  43    0.0000 
   C  44    5.3648     0.0000 
   C  45    7.2840     6.0693     0.0000 
   C  46    2.6748     7.0697     6.5885     0.0000 
   C  47    5.3646     9.2920     7.0000     2.6902     0.0000 
   C  48    1.0416     5.6735     6.6198     1.7087     4.3858     0.0000 
   C  49    1.7604     4.3674     7.8458     4.4063     7.0926     2.7088 
   C  50    7.0926     1.7602     6.2730     8.6138    10.6529     7.3259 
   C  51    4.3859     1.0417     5.6362     6.0284     8.2759     4.6432 
   C  52    4.3673     9.0695     7.9816     2.0000     1.7603     3.5676 
   C  53    5.6735     9.0246     6.1331     3.0693     1.0416     4.6432 
   C  54    3.0415     2.6495     7.0244     5.3283     7.8953     3.6766 
   C  55    7.8954     3.0416     5.2169     8.9443    10.6391     7.9114 
   C  56    2.6799     3.6027     7.8391     5.2400     7.9004     3.5321 
   C  57    7.9005     2.6799     6.1061     9.2290    11.1108     8.0470 
   C  58    2.6494     7.6075     7.5796     1.0000     3.0415     1.9523 
   C  59    3.6026     8.6030     8.2219     1.7320     2.6799     2.9522 
   C  60    8.0104     7.0692     1.0000     7.0316     7.0692     7.2698 
   C  61    7.8828     7.6214     1.7320     6.5890     6.3115     7.0531 
   C  62    8.9613     7.6159     1.7321     8.0316     8.0052     8.2451 
   C  63    8.7321     8.6153     2.6457     7.2422     6.6187     7.8596 
   C  64    9.7168     8.6105     2.6457     8.5756     8.2496     8.9448 
   C  65    9.6119     9.0693     3.0000     8.2166     7.6104     8.7696 
   H  66    5.3028     6.6742     3.1408     3.7604     3.8704     4.3767 
   H  67    6.6741     6.9159     1.8397     5.3687     5.3027     5.8265 
   H  68    2.3593     5.4420     5.2266     1.7501     3.8956     1.4558 
   H  69    3.8957     2.3594     4.4572     4.9508     6.9881     3.8303 
   H  70    5.4419     7.9544     4.6792     3.2062     2.3593     4.4104 
   H  71    3.1851     2.2549     5.6086     4.8462     7.1916     3.4192 
   H  72    7.1916     3.1851     3.8203     7.8907     9.3932     7.0445 
   H  73    0.6200     5.8388     7.8902     2.8776     5.5292     1.4559 
   H  74    5.5292     0.6199     6.6891     7.4123     9.7193     5.9390 
   H  75    2.2548     6.4498     6.2242     0.6201     3.1851     1.2261 
   H  76    5.8387     9.8988     7.5504     3.1811     0.6200     4.8893 
   H  77    1.4558     6.2883     6.8912     1.2279     3.9127     0.6200 
   H  78    3.9128     1.4559     6.0530     5.7560     8.1192     4.2749 
   H  79    6.2881     9.4949     6.2290     3.6892     1.4558     5.2555 
   H  80    3.6616     2.2056     7.1345     5.9163     8.4540     4.2811 
   H  81    8.4540     3.6615     5.2497     9.4037    10.9996     8.4313 
   H  82    2.2056     7.3747     7.8415     1.4158     3.6615     1.7171 
   H  83    7.3319     7.3981     1.8396     5.9749     5.7193     6.4798 
   H  84    9.1207     7.3890     1.8397     8.3587     8.4849     8.4575 
   H  85    8.7531     8.9931     3.1407     7.0947     6.2566     7.8405 
   H  86   10.2979     8.9857     3.1408     9.1927     8.8560     9.5402 
   H  87   10.1371     9.6892     3.6199     8.6451     7.8743     9.2729 

              C  49      C  50      C  51      C  52      C  53      C  54
              ------------------------------------------------------------------
   C  49    0.0000 
   C  50    6.1237     0.0000 
   C  51    3.5676     2.7087     0.0000 
   C  52    6.1237    10.6066     8.0281     0.0000 
   C  53    7.3260    10.2660     8.0423     2.7088     0.0000 
   C  54    1.7320     4.3987     1.9524     7.2440     7.9114     0.0000 
   C  55    7.2441     1.7321     3.6767    10.8767    10.0974     5.5970 
   C  56    1.0000     5.3283     2.9523     7.0386     8.0470     1.0000 
   C  57    7.0387     1.0001     3.5322    11.2017    10.6429     5.3284 
   C  58    4.3987     9.2289     6.5710     1.7320     3.6767     5.5968 
   C  59    5.3283    10.2139     7.5652     1.0000     3.5322     6.5853 
   C  60    8.6983     7.2373     6.6256     8.2329     6.1246     7.9627 
   C  61    8.7598     7.9675     7.0659     7.5995     5.3272     8.2134 
   C  62    9.5754     7.5700     7.2803     9.2132     7.0383     8.7415 
   C  63    9.6870     8.9168     8.0658     8.0516     5.5924     9.1936 
   C  64   10.4303     8.5634     8.2543     9.5895     7.2412     9.6683 
   C  65   10.4817     9.1889     8.6117     9.0515     6.5805     9.8758 
   H  66    6.4704     7.6231     5.8266     4.8866     3.0644     6.3654 
   H  67    7.6231     7.5081     6.2432     6.4703     4.3766     7.2022 
   H  68    3.6893     6.9161     4.4105     3.7043     3.8303     4.0814 
   H  69    3.7045     3.6892     1.4558     6.9323     6.6750     2.5812 
   H  70    6.9161     9.0645     7.0240     3.6893     1.4559     7.1948 
   H  71    2.6200     3.9285     1.2262     6.8418     7.0446     1.4158 
   H  72    6.8418     2.6200     3.4191     9.7634     8.7962     5.3534 
   H  73    1.8711     7.5838     4.8893     4.3571     5.9391     3.3912 
   H  74    4.3571     1.8710     1.4558     9.4065     9.4979     2.6278 
   H  75    3.9285     7.9967     5.4084     2.6200     3.4192     4.7486 
   H  76    7.5839    11.2700     8.8794     1.8711     1.4558     8.4510 
   H  77    3.2062     7.9307     5.2556     2.9725     4.2749     4.2806 
   H  78    2.9726     3.2061     0.6200     7.7466     7.9626     1.3326 
   H  79    7.9306    10.6802     8.5292     3.2061     0.6199     8.4749 
   H  80    2.2901     3.9147     1.7171     7.8465     8.4313     0.6201 
   H  81    7.8465     2.2901     4.2811    11.3124    10.4147     6.2094 
   H  82    3.9148     9.0404     6.3505     2.2901     4.2811     5.2251 
   H  83    8.2717     7.8773     6.7754     6.9838     4.7483     7.8114 
   H  84    9.6253     7.2142     7.1337     9.6294     7.5382     8.6905 
   H  85    9.8045     9.3818     8.3916     7.7610     5.2189     9.4160 
   H  86   10.9706     8.8324     8.6835    10.2072     7.8433    10.1571 
   H  87   11.0496     9.7978     9.2286     9.3777     6.8354    10.4754 

              C  55      C  56      C  57      C  58      C  59      C  60
              ------------------------------------------------------------------
   C  55    0.0000 
   C  56    6.5855     0.0000 
   C  57    1.0000     6.2797     0.0000 
   C  58    9.6941     5.3283     9.9071     0.0000 
   C  59   10.6361     6.2796    10.8767     1.0000     0.0000 
   C  60    6.1012     8.7484     7.0209     8.0315     8.5834     0.0000 
   C  61    6.9489     8.9224     7.8343     7.5827     8.0415     1.0000 
   C  62    6.2586     9.5678     7.2263     9.0315     9.5790     1.0000 
   C  63    7.8291     9.8839     8.7398     8.2190     8.5872     1.7320 
   C  64    7.2235    10.4702     8.1992     9.5720    10.0415     1.7321 
   C  65    7.9525    10.6160     8.9056     9.1986     9.5825     2.0000 
   H  66    7.2022     6.8586     7.8507     4.7535     5.2407     3.3533 
   H  67    6.7308     7.8507     7.5268     6.3653     6.8585     1.7733 
   H  68    7.1948     4.2806     7.4974     2.5811     3.4629     5.8347 
   H  69    4.0814     3.4630     4.2806     5.6368     6.5990     5.4133 
   H  70    8.7679     7.4973     9.3683     4.0814     4.2806     4.7099 
   H  71    4.7486     2.2901     4.7155     5.3534     6.3499     6.5488 
   H  72    1.4158     6.3499     2.2901     8.7097     9.6119     4.7311 
   H  73    8.4510     2.8621     8.4183     2.6278     3.5010     8.6029 
   H  74    3.3913     3.5010     2.8621     7.8885     8.8881     7.6891 
   H  75    8.3516     4.7155     8.6200     1.4158     2.2901     6.7367 
   H  76   11.2580     8.4182    11.7307     3.3913     2.8621     7.5754 
   H  77    8.4750     4.0814     8.6374     1.3325     2.3323     7.4775 
   H  78    4.2806     2.3324     4.0814     6.2233     7.2227     7.0290 
   H  79   10.4296     8.6373    11.0150     4.2805     4.0813     6.1202 
   H  80    5.2251     1.4158     4.8732     6.2093     7.1999     8.0976 
   H  81    0.6200     7.1999     1.4158    10.1806    11.1093     6.0774 
   H  82    9.6120     4.8732     9.7635     0.6200     1.4158     8.3537 
   H  83    6.9789     8.4810     7.8222     6.9672     7.4215     1.4158 
   H  84    5.8254     9.5530     6.8082     9.3562     9.9482     1.4157 
   H  85    8.3534    10.0609     9.2466     8.0517     8.3534     2.2901 
   H  86    7.4168    10.9798     8.4063    10.1896    10.6615     2.2901 
   H  87    8.5399    11.2042     9.4994     9.6163     9.9536     2.6200 

              C  61      C  62      C  63      C  64      C  65      H  66
              ------------------------------------------------------------------
   C  61    0.0000 
   C  62    1.7320     0.0000 
   C  63    1.0000     1.9999     0.0000 
   C  64    2.0000     1.0000     1.7320     0.0000 
   C  65    1.7321     1.7320     1.0000     1.0000     0.0000 
   H  66    2.8292     4.3433     3.5191     4.8212     4.4726     0.0000 
   H  67    1.2347     2.7431     2.0699     3.2070     2.9436     1.6200 
   H  68    5.5975     6.8176     6.4076     7.4970     7.3140     2.9455 
   H  69    5.7471     6.1656     6.7428     7.1029     7.3605     4.3708 
   H  70    3.9682     5.6487     4.3629     5.9327     5.3628     1.6250 
   H  71    6.8212     7.3264     7.8077     8.2527     8.4705     5.1385 
   H  72    5.5510     4.9741     6.4500     5.9607     6.6303     5.8448 
   H  73    8.4491     9.5597     9.2813    10.3026    10.1745     5.8202 
   H  74    8.2388     8.2307     9.2333     9.2262     9.6891     7.2324 
   H  75    6.3713     7.7339     7.0877     8.3340     8.0416     3.5701 
   H  76    6.7830     8.4936     7.0275     8.6902     8.0088     4.4374 
   H  77    7.1812     8.4665     7.9368     9.1162     8.8748     4.4203 
   H  78    7.4049     7.7299     8.4024     8.6902     8.9969     5.9468 
   H  79    5.2620     6.9915     5.4171     7.1090     6.3851     3.2789 
   H  80    8.4182     8.8288     9.4093     9.7784    10.0455     6.7342 
   H  81    6.9718     6.1353     7.8090     7.0723     7.8542     7.4619 
   H  82    7.9629     9.3517     8.6430     9.9372     9.6111     5.1423 
   H  83    0.6200     2.2901     1.4158     2.6200     2.2901     2.2145 
   H  84    2.2900     0.6200     2.6199     1.4157     2.2900     4.7431 
   H  85    1.4158     2.6200     0.6201     2.2901     1.4158     3.4640 
   H  86    2.6200     1.4158     2.2901     0.6200     1.4158     5.4400 
   H  87    2.2900     2.2900     1.4157     1.4157     0.6199     4.9340 

              H  67      H  68      H  69      H  70      H  71      H  72
              ------------------------------------------------------------------
   H  67    0.0000 
   H  68    4.3707     0.0000 
   H  69    4.8473     3.2318     0.0000 
   H  70    2.9454     3.2317     5.5975     0.0000 
   H  71    5.8448     3.2972     1.1760     6.1491     0.0000 
   H  72    5.3161     6.1491     3.2970     7.4339     4.2283     0.0000 
   H  73    7.2323     2.8787     4.4867     5.8395     3.7142     7.7837 
   H  74    7.5204     5.8395     2.8787     8.4709     2.5665     3.7142 
   H  75    5.1384     1.1759     4.3400     3.2971     4.2284     7.3237 
   H  76    5.8201     4.4866     7.6017     2.8787     7.7837    10.0084 
   H  77    5.9467     1.6658     4.3958     4.2247     4.0334     7.5656 
   H  78    6.5116     4.2248     1.6658     7.0335     0.9277     4.0333 
   H  79    4.4203     4.3956     7.1374     1.6657     7.5656     9.0995 
   H  80    7.4618     4.6049     2.6859     7.6539     1.6200     5.1245 
   H  81    6.8631     7.6540     4.6048     9.0538     5.3283     1.6200 
   H  82    6.7342     2.6858     5.5319     4.6048     5.1245     8.6984 
   H  83    0.6582     5.0244     5.4085     3.3676     6.4393     5.5656 
   H  84    3.1864     7.0559     6.1098     6.1256     7.2830     4.5977 
   H  85    2.2145     6.4031     7.0285     4.0826     8.0525     6.9609 
   H  86    3.8242     8.0958     7.5814     6.5461     8.7419     6.2142 
   H  87    3.4641     7.8197     7.9694     5.6941     9.0730     7.2300 

              H  73      H  74      H  75      H  76      H  77      H  78
              ------------------------------------------------------------------
   H  73    0.0000 
   H  74    5.9581     0.0000 
   H  75    2.5665     6.7948     0.0000 
   H  76    5.9581    10.3197     3.7142     0.0000 
   H  77    1.6657     6.5586     0.9277     4.3830     0.0000 
   H  78    4.3830     1.6657     5.1404     8.7113     4.8941     0.0000 
   H  79    6.5585     9.9845     4.0333     1.6657     4.8940     8.4767 
   H  80    4.0042     2.0877     5.3283     9.0179     4.8891     1.1377 
   H  81    9.0178     4.0042     8.8201    11.6162     8.9838     4.8890 
   H  82    2.0877     7.6139     1.6200     4.0042     1.1377     5.9575 
   H  83    7.8890     8.0097     5.7681     6.2036     6.5891     7.0741 
   H  84    9.7282     7.9963     8.0253     8.9900     8.7177     7.6166 
   H  85    9.2812     9.6077     6.9922     6.6299     7.8692     8.6941 
   H  86   10.8877     9.5966     8.9458     9.2894     9.7215     9.1410 
   H  87   10.6908    10.3090     8.5011     8.2377     9.3525     9.6096 

              H  79      H  80      H  81      H  82      H  83      H  84
              ------------------------------------------------------------------
   H  79    0.0000 
   H  80    8.9837     0.0000 
   H  81   10.7194     5.8436     0.0000 
   H  82    4.8890     5.8437    10.1215     0.0000 
   H  83    4.7148     8.0508     7.0564     7.3536     0.0000 
   H  84    7.5207     8.7343     5.6595     9.6453     2.8059     0.0000 
   H  85    4.9912     9.6666     8.3572     8.5072     1.6200     3.2400 
   H  86    7.6971    10.2428     7.2166    10.5513     3.2401     1.6200 
   H  87    6.5894    10.6532     8.4252    10.0498     2.8059     2.8058 

              H  85      H  86      H  87
              ---------------------------------
   H  85    0.0000 
   H  86    2.8060     0.0000 
   H  87    1.6200     1.6200     0.0000 



ATOMIC CHARGES
   S   1    0.1517646741
   S   2    0.1516727943
   S   3    0.1516538878
   O   4   -0.3345373896
   O   5   -0.3375810735
   O   6   -0.3383192824
   O   7   -0.1313461304
   O   8   -0.1313461304
   O   9   -0.1313473147
   O  10   -0.1313473147
   O  11   -0.1313475400
   O  12   -0.1313475400
   O  13   -0.2865253843
   O  14   -0.8682317574
   O  15   -0.8682317574
   O  16   -0.8682317574
   N  17    0.1707492115
   N  18    0.1707492115
   N  19    0.1707492115
   N  20    0.2218079348
   N  21    0.2218079348
   N  22    0.2218079348
   C  23    0.2458618547
   C  24    0.2155742692
   C  25    0.1357281719
   C  26    0.1357267345
   C  27    0.2048593797
   C  28    0.0103169390
   C  29    0.0103169329
   C  30    0.1357264610
   C  31    0.0707543952
   C  32    0.0103169317
   C  33   -0.0161658327
   C  34   -0.0161658327
   C  35   -0.0161658327
   C  36   -0.0123488187
   C  37   -0.0435028120
   C  38   -0.0327762588
   C  39   -0.0327762649
   C  40   -0.0327762660
   C  41   -0.0446206440
   C  42   -0.0446206440
   C  43   -0.0542475152
   C  44   -0.0542475152
   C  45    0.1968592227
   C  46   -0.0446206440
   C  47   -0.0542475152
   C  48   -0.0592684354
   C  49   -0.0032278699
   C  50   -0.0032278699
   C  51   -0.0592684354
   C  52   -0.0032278699
   C  53   -0.0592684354
   C  54    0.0326875061
   C  55    0.0326875061
   C  56    0.3791822259
   C  57    0.3791822259
   C  58    0.0326875061
   C  59    0.3791822259
   C  60    0.0223814172
   C  61   -0.0509172943
   C  62   -0.0509172943
   C  63   -0.0610863596
   C  64   -0.0610863596
   C  65   -0.0617201699
   H  66    0.0656385461
   H  67    0.0626942143
   H  68    0.0637809145
   H  69    0.0637809145
   H  70    0.0637809145
   H  71    0.0626602640
   H  72    0.0626602640
   H  73    0.0623482253
   H  74    0.0623482253
   H  75    0.0626602640
   H  76    0.0623482253
   H  77    0.0618329656
   H  78    0.0618329656
   H  79    0.0618329656
   H  80    0.0696703026
   H  81    0.0696703026
   H  82    0.0696703026
   H  83    0.0624602683
   H  84    0.0624602683
   H  85    0.0617772765
   H  86    0.0617772765
   H  87    0.0617585949


BOND ANGLES
   4    1    7   O3  So2   O2     89.995
   4    1    8   O3  So2   O2     90.003
   4    1   25   O3  So2  Car    179.974
   7    1    8   O2  So2   O2    179.974
   7    1   25   O2  So2  Car     89.997
   8    1   25   O2  So2  Car     90.005
   5    2    9   O3  So2   O2     90.000
   5    2   10   O3  So2   O2     90.000
   5    2   26   O3  So2  Car    179.974
   9    2   10   O2  So2   O2    179.974
   9    2   26   O2  So2  Car     90.006
  10    2   26   O2  So2  Car     89.994
   6    3   11   O3  So2   O2     90.000
   6    3   12   O3  So2   O2     89.997
   6    3   30   O3  So2  Car    179.974
  11    3   12   O2  So2   O2    179.974
  11    3   30   O2  So2  Car     89.995
  12    3   30   O2  So2  Car     90.008
   1    4   23  So2   O3  Car    119.998
   2    5   24  So2   O3  Car    119.998
   3    6   27  So2   O3  Car    120.004
  20   17   56   N1   N1  Car    179.974
  21   18   57   N1   N1  Car    179.974
  22   19   59   N1   N1  Car    179.974
   4   23   24   O3  Car  Car    120.006
   4   23   27   O3  Car  Car    119.998
  24   23   27  Car  Car  Car    119.996
   5   24   23   O3  Car  Car    119.996
   5   24   31   O3  Car  Car    119.998
  23   24   31  Car  Car  Car    120.006
   1   25   28  So2  Car  Car    120.227
   1   25   38  So2  Car  Car    120.217
  28   25   38  Car  Car  Car    119.556
   2   26   29  So2  Car  Car    120.227
   2   26   39  So2  Car  Car    120.219
  29   26   39  Car  Car  Car    119.554
   6   27   23   O3  Car  Car    120.004
   6   27   36   O3  Car  Car    119.992
  23   27   36  Car  Car  Car    120.004
  25   28   33  Car  Car  Car    120.886
  25   28   41  Car  Car  Car    119.115
  33   28   41  Car  Car  Car    119.999
  26   29   34  Car  Car  Car    120.886
  26   29   42  Car  Car  Car    119.113
  34   29   42  Car  Car  Car    120.001
   3   30   32  So2  Car  Car    120.227
   3   30   40  So2  Car  Car    120.213
  32   30   40  Car  Car  Car    119.560
  24   31   37  Car  Car  Car    119.998
  24   31   45  Car  Car   C2    120.006
  37   31   45  Car  Car   C2    119.996
  30   32   35  Car  Car  Car    120.885
  30   32   46  Car  Car  Car    119.114
  35   32   46  Car  Car  Car    120.001
  28   33   43  Car  Car  Car    120.880
  28   33   49  Car  Car  Car    120.001
  43   33   49  Car  Car  Car    119.119
  29   34   44  Car  Car  Car    120.886
  29   34   50  Car  Car  Car    120.001
  44   34   50  Car  Car  Car    119.113
  32   35   47  Car  Car  Car    120.881
  32   35   52  Car  Car  Car    119.999
  47   35   52  Car  Car  Car    119.121
  27   36   37  Car  Car  Car    119.992
  27   36   66  Car  Car   HC    120.005
  37   36   66  Car  Car   HC    120.002
  31   37   36  Car  Car  Car    120.004
  31   37   67  Car  Car   HC    120.007
  36   37   67  Car  Car   HC    119.990
  25   38   48  Car  Car  Car    119.556
  25   38   68  Car  Car   HC    120.220
  48   38   68  Car  Car   HC    120.223
  26   39   51  Car  Car  Car    119.560
  26   39   69  Car  Car   HC    120.215
  51   39   69  Car  Car   HC    120.225
  30   40   53  Car  Car  Car    119.558
  30   40   70  Car  Car   HC    120.232
  53   40   70  Car  Car   HC    120.210
  28   41   54  Car  Car  Car    120.001
  28   41   71  Car  Car   HC    120.002
  54   41   71  Car  Car   HC    119.997
  29   42   55  Car  Car  Car    120.001
  29   42   72  Car  Car   HC    120.001
  55   42   72  Car  Car   HC    119.998
  33   43   48  Car  Car  Car    119.559
  33   43   73  Car  Car   HC    120.217
  48   43   73  Car  Car   HC    120.224
  34   44   51  Car  Car  Car    119.554
  34   44   74  Car  Car   HC    120.230
  51   44   74  Car  Car   HC    120.216
  13   45   31   O2   C2  Car    119.996
  13   45   60   O2   C2  Car    119.998
  31   45   60  Car   C2  Car    120.006
  32   46   58  Car  Car  Car    120.001
  32   46   75  Car  Car   HC    119.997
  58   46   75  Car  Car   HC    120.002
  35   47   53  Car  Car  Car    119.565
  35   47   76  Car  Car   HC    120.219
  53   47   76  Car  Car   HC    120.216
  38   48   43  Car  Car  Car    119.561
  38   48   77  Car  Car   HC    120.225
  43   48   77  Car  Car   HC    120.214
  14   49   33   O-  Car  Car    120.001
  14   49   56   O-  Car  Car    119.999
  33   49   56  Car  Car  Car    120.001
  15   50   34   O-  Car  Car    120.001
  15   50   57   O-  Car  Car    119.998
  34   50   57  Car  Car  Car    120.001
  39   51   44  Car  Car  Car    119.560
  39   51   78  Car  Car   HC    120.225
  44   51   78  Car  Car   HC    120.215
  16   52   35   O-  Car  Car    119.999
  16   52   59   O-  Car  Car    120.001
  35   52   59  Car  Car  Car    120.001
  40   53   47  Car  Car  Car    119.552
  40   53   79  Car  Car   HC    120.225
  47   53   79  Car  Car   HC    120.223
  41   54   56  Car  Car  Car    120.001
  41   54   80  Car  Car   HC    119.997
  56   54   80  Car  Car   HC    120.002
  42   55   57  Car  Car  Car    119.998
  42   55   81  Car  Car   HC    120.000
  57   55   81  Car  Car   HC    120.002
  17   56   49   N1  Car  Car    120.001
  17   56   54   N1  Car  Car    120.001
  49   56   54  Car  Car  Car    119.999
  18   57   50   N1  Car  Car    120.001
  18   57   55   N1  Car  Car    120.001
  50   57   55  Car  Car  Car    119.998
  46   58   59  Car  Car  Car    119.999
  46   58   82  Car  Car   HC    120.001
  59   58   82  Car  Car   HC    120.001
  19   59   52   N1  Car  Car    120.001
  19   59   58   N1  Car  Car    119.999
  52   59   58  Car  Car  Car    120.001
  45   60   61   C2  Car  Car    119.998
  45   60   62   C2  Car  Car    120.006
  61   60   62  Car  Car  Car    119.996
  60   61   63  Car  Car  Car    119.998
  60   61   83  Car  Car   HC    119.998
  63   61   83  Car  Car   HC    120.004
  60   62   64  Car  Car  Car    120.006
  60   62   84  Car  Car   HC    119.995
  64   62   84  Car  Car   HC    120.000
  61   63   65  Car  Car  Car    120.006
  61   63   85  Car  Car   HC    119.995
  65   63   85  Car  Car   HC    119.999
  62   64   65  Car  Car  Car    119.998
  62   64   86  Car  Car   HC    120.004
  65   64   86  Car  Car   HC    119.998
  63   65   64  Car  Car  Car    119.996
  63   65   87  Car  Car   HC    120.007
  64   65   87  Car  Car   HC    119.998


TORSION ANGLES
   7    1    4   23    179.974
   8    1    4   23      0.026
  25    1    4   23    179.974
   4    1   25   28      0.026
   4    1   25   38    179.974
   7    1   25   28      0.026
   7    1   25   38    179.974
   8    1   25   28    179.974
   8    1   25   38      0.026
   9    2    5   24      0.026
  10    2    5   24    179.974
  26    2    5   24    179.974
   5    2   26   29      0.026
   5    2   26   39    179.974
   9    2   26   29    179.974
   9    2   26   39      0.026
  10    2   26   29      0.026
  10    2   26   39    179.974
  11    3    6   27    179.974
  12    3    6   27      0.026
  30    3    6   27    179.974
   6    3   30   32      0.026
   6    3   30   40    179.974
  11    3   30   32      0.026
  11    3   30   40    179.974
  12    3   30   32    179.974
  12    3   30   40      0.026
   1    4   23   24    179.974
   1    4   23   27      0.026
   2    5   24   23      0.026
   2    5   24   31    179.974
   3    6   27   23    179.974
   3    6   27   36      0.026
  20   17   56   49    180.000
  20   17   56   54    180.000
  21   18   57   50    180.000
  21   18   57   55    180.000
  22   19   59   52      0.026
  22   19   59   58    179.974
   4   23   24    5      0.026
   4   23   24   31    179.974
  27   23   24    5    179.974
  27   23   24   31      0.026
   4   23   27    6      0.026
   4   23   27   36    179.974
  24   23   27    6    179.974
  24   23   27   36      0.026
   5   24   31   37    179.974
   5   24   31   45      0.026
  23   24   31   37      0.026
  23   24   31   45    179.974
   1   25   28   33    179.974
   1   25   28   41      0.026
  38   25   28   33      0.026
  38   25   28   41    179.974
   1   25   38   48    179.974
   1   25   38   68      0.026
  28   25   38   48      0.026
  28   25   38   68    179.974
   2   26   29   34    179.974
   2   26   29   42      0.026
  39   26   29   34      0.026
  39   26   29   42    179.974
   2   26   39   51    179.974
   2   26   39   69      0.026
  29   26   39   51      0.026
  29   26   39   69    179.974
   6   27   36   37    179.974
   6   27   36   66      0.026
  23   27   36   37      0.026
  23   27   36   66    179.974
  25   28   33   43      0.026
  25   28   33   49    179.974
  41   28   33   43    179.974
  41   28   33   49      0.026
  25   28   41   54    179.974
  25   28   41   71      0.026
  33   28   41   54      0.026
  33   28   41   71    179.974
  26   29   34   44      0.026
  26   29   34   50    179.974
  42   29   34   44    179.974
  42   29   34   50      0.026
  26   29   42   55    179.974
  26   29   42   72      0.026
  34   29   42   55      0.026
  34   29   42   72    179.974
   3   30   32   35    179.974
   3   30   32   46      0.026
  40   30   32   35      0.026
  40   30   32   46    179.974
   3   30   40   53    179.974
   3   30   40   70      0.026
  32   30   40   53      0.026
  32   30   40   70    179.974
  24   31   37   36      0.026
  24   31   37   67    179.974
  45   31   37   36    179.974
  45   31   37   67      0.026
  24   31   45   13      0.026
  24   31   45   60    179.974
  37   31   45   13    179.974
  37   31   45   60      0.026
  30   32   35   47      0.026
  30   32   35   52    179.974
  46   32   35   47    179.974
  46   32   35   52      0.026
  30   32   46   58    179.974
  30   32   46   75      0.026
  35   32   46   58      0.026
  35   32   46   75    179.974
  28   33   43   48      0.026
  28   33   43   73    179.974
  49   33   43   48    179.974
  49   33   43   73      0.026
  28   33   49   14    179.974
  28   33   49   56      0.026
  43   33   49   14      0.026
  43   33   49   56    179.974
  29   34   44   51      0.026
  29   34   44   74    179.974
  50   34   44   51    179.974
  50   34   44   74      0.026
  29   34   50   15    179.974
  29   34   50   57      0.026
  44   34   50   15      0.026
  44   34   50   57    179.974
  32   35   47   53      0.026
  32   35   47   76    179.974
  52   35   47   53    179.974
  52   35   47   76      0.026
  32   35   52   16    179.974
  32   35   52   59      0.026
  47   35   52   16      0.026
  47   35   52   59    179.974
  27   36   37   31      0.026
  27   36   37   67    179.974
  66   36   37   31    179.974
  66   36   37   67      0.026
  25   38   48   43      0.026
  25   38   48   77    179.974
  68   38   48   43    179.974
  68   38   48   77      0.026
  26   39   51   44      0.026
  26   39   51   78    179.974
  69   39   51   44    179.974
  69   39   51   78      0.026
  30   40   53   47      0.026
  30   40   53   79    179.974
  70   40   53   47    179.974
  70   40   53   79      0.026
  28   41   54   56      0.026
  28   41   54   80    179.974
  71   41   54   56    179.974
  71   41   54   80      0.026
  29   42   55   57      0.026
  29   42   55   81    179.974
  72   42   55   57    179.974
  72   42   55   81      0.026
  33   43   48   38      0.026
  33   43   48   77    179.974
  73   43   48   38    179.974
  73   43   48   77      0.026
  34   44   51   39      0.026
  34   44   51   78    179.974
  74   44   51   39    179.974
  74   44   51   78      0.026
  13   45   60   61    179.974
  13   45   60   62      0.026
  31   45   60   61      0.026
  31   45   60   62    179.974
  32   46   58   59      0.026
  32   46   58   82    179.974
  75   46   58   59    179.974
  75   46   58   82      0.026
  35   47   53   40      0.026
  35   47   53   79    179.974
  76   47   53   40    179.974
  76   47   53   79      0.026
  14   49   56   17      0.026
  14   49   56   54    179.974
  33   49   56   17    179.974
  33   49   56   54      0.026
  15   50   57   18      0.026
  15   50   57   55    179.974
  34   50   57   18    179.974
  34   50   57   55      0.026
  16   52   59   19      0.026
  16   52   59   58    179.974
  35   52   59   19    179.974
  35   52   59   58      0.026
  41   54   56   17    179.974
  41   54   56   49      0.026
  80   54   56   17      0.026
  80   54   56   49    179.974
  42   55   57   18    179.974
  42   55   57   50      0.026
  81   55   57   18      0.026
  81   55   57   50    179.974
  46   58   59   19    179.974
  46   58   59   52      0.026
  82   58   59   19      0.026
  82   58   59   52    179.974
  45   60   61   63    179.974
  45   60   61   83      0.026
  62   60   61   63      0.026
  62   60   61   83    179.974
  45   60   62   64    179.974
  45   60   62   84      0.026
  61   60   62   64      0.026
  61   60   62   84    179.974
  60   61   63   65      0.026
  60   61   63   85    179.974
  83   61   63   65    179.974
  83   61   63   85      0.026
  60   62   64   65      0.026
  60   62   64   86    179.974
  84   62   64   65    179.974
  84   62   64   86      0.026
  61   63   65   64      0.026
  61   63   65   87    179.974
  85   63   65   64    179.974
  85   63   65   87      0.026
  62   64   65   63      0.026
  62   64   65   87    179.974
  86   64   65   63    179.974
  86   64   65   87      0.026