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2-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propylamino]ethyl]benzo[de]isoquinoline-1,3-dione
2-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propylamino]ethyl]benzo[de]isoquinoline-1,3-dione ID: AN-31132
CAS:162706-37-8
Supplier:AN PharmaTech Co Ltd

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SMILES:O=c1n(CCNCCCNCCn2c(=O)c3c4c(c2=O)cccc4ccc3)c(=O)c2c3c1cccc3ccc2	444912
FORMULA: C31H28N4O4
MASS: 520.5784
EXACT MASS: 520.2110554
INTERATOMIC DISTANCES

              O   1      O   2      O   3      O   4      N   5      N   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    3.4641     0.0000 
   O   3    9.1651     6.9282     0.0000 
   O   4   10.3923     9.1652     3.4641     0.0000 
   N   5    1.7321     1.7320     7.9372     9.6437     0.0000 
   N   6    9.6437     7.9373     1.7320     1.7320     8.6602     0.0000 
   N   7    3.6056     2.6457     5.5677     7.0000     2.6457     6.0828 
   N   8    7.0000     5.5678     2.6458     3.6056     6.0827     2.6458 
   C   9    2.0000     2.0000     7.2111     8.7178     1.0000     7.8102 
   C  10    8.7178     7.2111     2.0000     2.0000     7.8102     1.0000 
   C  11   11.5325     9.5394     2.6457     2.6457    10.4403     2.0000 
   C  12    2.6458     2.6457     9.5394    11.5326     2.0000    10.4403 
   C  13    5.2915     4.0000     4.0000     5.2915     4.3589     4.3589 
   C  14    3.0000     1.7320     6.2450     7.9373     1.7320     6.9282 
   C  15    7.9373     6.2450     1.7320     3.0000     6.9282     1.7320 
   C  16    6.2450     4.5826     3.0000     4.5826     5.1961     3.4641 
   C  17    4.5826     3.0000     4.5826     6.2450     3.4641     5.1962 
   C  18   11.3578     9.6437     3.0000     1.7320    10.3923     1.7320 
   C  19   10.8166     8.6602     1.7320     2.9999     9.6436     1.7320 
   C  20    3.0000     1.7320     8.6602    10.8167     1.7320     9.6437 
   C  21    1.7320     3.0000     9.6437    11.3578     1.7321    10.3923 
   C  22   10.4403     8.8882     2.6457     1.0000     9.5394     1.0000 
   C  23    9.8489     7.8102     1.0000     2.6457     8.7178     1.0000 
   C  24    2.6458     1.0000     7.8102     9.8489     1.0000     8.7178 
   C  25    1.0000     2.6458     8.8882    10.4403     1.0001     9.5394 
   C  26   12.5344    10.4363     3.5081     3.4922    11.4023     3.0416 
   C  27    3.5081     3.4922    10.4203    12.5255     3.0415    11.3901 
   C  28    2.0073     4.0415    10.6170    12.1905     2.6799    11.2989 
   C  29    4.0415     2.0073     8.7067    11.1355     2.6798     9.8439 
   C  30   11.1355     8.7067     2.0073     4.0415     9.8439     2.6799 
   C  31   12.1906    10.6170     4.0415     2.0073    11.2989     2.6799 
   C  32    3.6691     4.4241    11.3364    13.2995     3.6767    12.2350 
   C  33    4.4241     3.6691    10.4968    12.8318     3.6766    11.5939 
   C  34   12.8317    10.4968     3.6691     4.4240    11.5938     3.6766 
   C  35   13.2994    11.3364     4.4241     3.6691    12.2349     3.6766 
   C  36    3.0488     4.6536    11.4279    13.1418     3.5321    12.1923 
   C  37    4.6536     3.0488     9.6704    12.1650     3.5321    10.8513 
   C  38   12.1650     9.6704     3.0489     4.6535    10.8513     3.5321 
   C  39   13.1419    11.4280     4.6536     3.0489    12.1924     3.5322 
   H  40    2.1943     2.5068     6.9830     8.2784     1.5967     7.4597 
   H  41    1.4332     2.5068     7.7335     9.0740     1.0812     8.2506 
   H  42    9.0740     7.7334     2.5068     1.4332     8.2505     1.0813 
   H  43    8.2784     6.9829     2.5068     2.1944     7.4596     1.5968 
   H  44    5.6192     4.5875     3.9400     4.8263     4.8281     4.0507 
   H  45    4.8262     3.9399     4.5875     5.6193     4.0506     4.8282 
   H  46    2.9561     1.1266     6.5415     8.4274     1.4155     7.3421 
   H  47    3.5889     1.6279     5.7556     7.6548     2.1829     6.5469 
   H  48    7.6549     5.7557     1.6278     3.5889     6.5469     2.1829 
   H  49    8.4274     6.5415     1.1267     2.9560     7.3421     1.4155 
   H  50    4.3998     2.4267     4.8384     6.7558     3.1022     5.6148 
   H  51    5.1245     3.1671     4.0630     5.9981     3.8917     4.8210 
   H  52    5.9981     4.0630     3.1671     5.1245     4.8211     3.8917 
   H  53    6.7558     4.8385     2.4267     4.3997     5.6148     3.1021 
   H  54    3.4849     3.1407     5.8193     6.9386     2.8292     6.1647 
   H  55    6.9386     5.8193     3.1408     3.4849     6.1648     2.8292 
   H  56    1.7865     4.3808    10.7461    12.1501     2.8621    11.3381 
   H  57    4.3808     1.7865     8.2147    10.7529     2.8621     9.4102 
   H  58   10.7529     8.2146     1.7865     4.3807     9.4102     2.8620 
   H  59   12.1501    10.7461     4.3808     1.7865    11.3380     2.8621 
   H  60    4.2752     4.9367    11.8632    13.8862     4.2806    12.7977 
   H  61    4.9340     4.2760    11.0678    13.4410     4.2795    12.1893 
   H  62   13.4401    11.0659     4.2751     4.9366    12.1879     4.2806 
   H  63   13.8845    11.8606     4.9339     4.2760    12.7955     4.2795 
   H  64   12.4090     9.7878     3.4079     5.2633    11.0405     4.0814 
   H  65   13.6441    12.0028     5.2633     3.4079    12.7324     4.0814 
   H  66    3.4079     5.2633    12.0028    13.6441     4.0814    12.7324 
   H  67    5.2633     3.4079     9.7879    12.4091     4.0814    11.0405 

              N   7      N   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   N   7    0.0000 
   N   8    3.4641     0.0000 
   C   9    1.7320     5.1961     0.0000 
   C  10    5.1962     1.7321     6.9282     0.0000 
   C  11    7.9372     4.5826     9.6436     2.9999     0.0000 
   C  12    4.5826     7.9372     3.0000     9.6437    12.1243     0.0000 
   C  13    1.7320     1.7320     3.4641     3.4641     6.2450     6.2450 
   C  14    1.0000     4.3589     1.0000     6.0828     8.7178     3.6055 
   C  15    4.3589     1.0001     6.0828     1.0000     3.6055     8.7178 
   C  16    2.6457     1.0000     4.3589     2.6458     5.2915     7.0000 
   C  17    1.0000     2.6457     2.6457     4.3589     7.0000     5.2915 
   C  18    7.8102     4.3589     9.5394     2.6457     1.0000    12.1655 
   C  19    7.2111     4.0000     8.8881     2.6457     1.0000    11.2694 
   C  20    4.0000     7.2111     2.6457     8.8882    11.2694     1.0000 
   C  21    4.3589     7.8102     2.6458     9.5394    12.1655     1.0001 
   C  22    6.9282     3.4641     8.6602     1.7320     1.7320    11.3578 
   C  23    6.2450     3.0000     7.9372     1.7320     1.7320    10.3923 
   C  24    3.0000     6.2450     1.7320     7.9373    10.3923     1.7320 
   C  25    3.4641     6.9282     1.7321     8.6603    11.3578     1.7321 
   C  26    8.9326     5.6113    10.6275     4.0415     1.0417    13.0442 
   C  27    5.6063     8.9232     4.0415    10.6170    13.0293     1.0416 
   C  28    5.2242     8.6882     3.4922    10.4203    13.1084     1.7761 
   C  29    4.5978     7.5517     3.4921     9.1636    11.3474     1.7760 
   C  30    7.5517     4.5978     9.1636     3.4922     1.7761    11.3474 
   C  31    8.6882     5.2242    10.4203     3.4922     1.7760    13.1084 
   C  32    6.3160     9.7140     4.6536    11.4280    13.9244     1.8002 
   C  33    6.0693     9.2302     4.6536    10.8802    13.1340     1.8001 
   C  34    9.2301     6.0693    10.8800     4.6535     1.8001    13.1339 
   C  35    9.7140     6.3160    11.4279     4.6536     1.8001    13.9243 
   C  36    6.1488     9.6061     4.4241    11.3364    13.9617     2.0693 
   C  37    5.6238     8.5871     4.4240    10.1879    12.3153     2.0693 
   C  38    8.5871     5.6239    10.1879     4.4240     2.0693    12.3154 
   C  39    9.6062     6.1489    11.3364     4.4241     2.0694    13.9618 
   H  40    1.4156     4.8211     0.6200     6.5470     9.3390     3.5889 
   H  41    2.1829     5.6148     0.6200     7.3422    10.1194     2.9561 
   H  42    5.6148     2.1829     7.3421     0.6200     2.9561    10.1194 
   H  43    4.8210     1.4155     6.5469     0.6200     3.5888     9.3389 
   H  44    2.1828     1.4156     3.8917     3.1022     5.9981     6.7558 
   H  45    1.4155     2.1829     3.1021     3.8918     6.7558     5.9981 
   H  46    1.5967     4.8281     1.0812     6.5339     9.0740     3.1102 
   H  47    1.0812     4.0506     1.5968     5.7469     8.2783     3.8982 
   H  48    4.0507     1.0813     5.7469     1.5967     3.8981     8.2784 
   H  49    4.8281     1.5968     6.5338     1.0812     3.1102     9.0740 
   H  50    1.0813     3.1512     2.4059     4.8281     7.3455     4.8263 
   H  51    1.5968     2.4059     3.1512     4.0506     6.5507     5.6193 
   H  52    2.4059     1.5967     4.0507     3.1512     5.6192     6.5507 
   H  53    3.1512     1.0812     4.8281     2.4059     4.8262     7.3455 
   H  54    0.6200     3.5191     1.8397     5.2330     8.0773     4.8212 
   H  55    3.5191     0.6200     5.2330     1.8397     4.8212     8.0774 
   H  56    5.2579     8.7057     3.5459    10.4337    13.1883     2.3300 
   H  57    4.4323     7.1965     3.5458     8.7671    10.8597     2.3299 
   H  58    7.1964     4.4323     8.7670     3.5457     2.3300    10.8597 
   H  59    8.7057     5.2579    10.4336     3.5458     2.3299    13.1883 
   H  60    6.9133    10.2945     5.2633    12.0028    14.4639     2.3594 
   H  61    6.6892     9.8413     5.2624    11.4849    13.7086     2.3574 
   H  62    9.8405     6.6893    11.4839     5.2633     2.3594    13.7068 
   H  63   10.2927     6.9119    12.0009     5.2623     2.3574    14.4614 
   H  64    8.8607     6.0347    10.4191     4.9366     2.6893    12.4322 
   H  65   10.1314     6.6680    11.8632     4.9367     2.6893    14.5214 
   H  66    6.6680    10.1313     4.9367    11.8632    14.5214     2.6893 
   H  67    6.0347     8.8607     4.9366    10.4192    12.4323     2.6892 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    2.6457     0.0000 
   C  15    2.6458     5.1962     0.0000 
   C  16    1.0000     3.4641     1.7321     0.0000 
   C  17    1.0000     1.7320     3.4641     1.7320     0.0000 
   C  18    6.0828     8.6602     3.4641     5.1962     6.9282     0.0000 
   C  19    5.5677     7.9372     2.9999     4.5826     6.2450     1.7320 
   C  20    5.5678     3.0000     7.9373     6.2450     4.5826    11.3578 
   C  21    6.0828     3.4641     8.6603     6.9282     5.1962    12.1244 
   C  22    5.1962     7.8102     2.6457     4.3589     6.0828     1.0000 
   C  23    4.5826     7.0000     2.0000     3.6056     5.2915     2.0000 
   C  24    4.5826     2.0000     7.0000     5.2915     3.6055    10.4403 
   C  25    5.1962     2.6458     7.8103     6.0828     4.3589    11.2694 
   C  26    7.2553     9.6882     4.6264     6.2894     7.9818     1.7603 
   C  27    7.2476     4.6204     9.6767     7.9713     6.2805    13.1084 
   C  28    6.9562     4.3907     9.5691     7.8404     6.1135    13.0292 
   C  29    6.0070     3.6229     8.1828     6.5585     5.0070    11.5259 
   C  30    6.0070     8.1828     3.6230     5.0071     6.5586     2.6903 
   C  31    6.9562     9.5692     4.3907     6.1135     7.8404     1.0416 
   C  32    8.0080     5.3622    10.5100     8.7877     7.0703    13.9618 
   C  33    7.6169     5.0693     9.9116     8.2498     6.6241    13.2891 
   C  34    7.6168     9.9115     5.0692     6.6240     8.2497     2.7087 
   C  35    8.0079    10.5099     5.3621     7.0702     8.7877     2.0693 
   C  36    7.8767     5.2641    10.4603     8.7282     6.9961    13.9243 
   C  37    7.0486     4.6401     9.2031     7.5922     6.0486    12.5222 
   C  38    7.0486     9.2031     4.6401     6.0487     7.5922     3.0693 
   C  39    7.8768    10.4603     5.2642     6.9962     8.7283     1.8002 
   H  40    3.1022     1.0813     5.7470     4.0507     2.4059     9.1797 
   H  41    3.8917     1.5968     6.5339     4.8281     3.1512     9.9726 
   H  42    3.8917     6.5338     1.5967     3.1512     4.8281     2.4059 
   H  43    3.1021     5.7469     1.0812     2.4059     4.0506     3.1512 
   H  44    0.6200     3.1512     2.4060     1.0813     1.5967     5.7470 
   H  45    0.6200     2.4059     3.1513     1.5968     1.0812     6.5339 
   H  46    3.1512     0.6200     5.6148     3.8917     2.1829     9.0712 
   H  47    2.4059     0.6200     4.8210     3.1021     1.4155     8.2753 
   H  48    2.4059     4.8211     0.6200     1.4156     3.1022     3.8917 
   H  49    3.1512     5.6148     0.6199     2.1829     3.8917     3.1021 
   H  50    1.5967     1.4156     3.8917     2.1828     0.6200     7.3421 
   H  51    1.0812     2.1829     3.1021     1.4155     0.6200     6.5469 
   H  52    1.0813     3.1022     2.1829     0.6200     1.4156     5.6148 
   H  53    1.5968     3.8917     1.4155     0.6200     2.1829     4.8210 
   H  54    1.8396     1.4158     4.4726     2.8291     1.4157     7.8742 
   H  55    1.8397     4.4726     1.4158     1.4158     2.8292     4.4726 
   H  56    6.9798     4.5015     9.6167     7.8998     6.1916    13.0623 
   H  57    5.7199     3.5020     7.7769     6.1974     4.7261    11.0736 
   H  58    5.7199     7.7769     3.5019     4.7261     6.1974     3.1811 
   H  59    6.9798     9.6166     4.5015     6.1916     7.8998     1.4559 
   H  60    8.5956     5.9511    11.0765     9.3594     7.6490    14.5214 
   H  61    8.2340     5.6892    10.5131     8.8585     7.2401    13.8791 
   H  62    8.2335    10.5119     5.6893     7.2397     8.8576     3.2062 
   H  63    8.5940    11.0744     5.9494     7.6471     9.3574     2.6892 
   H  64    7.3800     9.4258     5.0700     6.3837     7.8612     3.6893 
   H  65    8.3996    11.0011     5.8094     7.5393     9.2700     2.3594 
   H  66    8.3996     5.8094    11.0011     9.2699     7.5393    14.4639 
   H  67    7.3800     5.0700     9.4258     7.8612     6.3837    12.6862 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20   10.3923     0.0000 
   C  21   11.3578     1.7321     0.0000 
   C  22    2.0000    10.5830    11.2694     0.0000 
   C  23    1.0000     9.5394    10.4403     1.7320     0.0000 
   C  24    9.5394     1.0000     2.0000     9.6437     8.6602     0.0000 
   C  25   10.5830     2.0000     1.0000    10.3923     9.6437     1.7321 
   C  26    1.7761    12.1684    13.1212     2.6799     2.6903    11.3137 
   C  27   12.1523     1.7603     1.7760    12.3214    11.2989     2.6799 
   C  28   12.3214     2.6903     1.0416    12.1523    11.3901     3.0416 
   C  29   10.4283     1.0416     2.6903    10.8128     9.6343     1.7603 
   C  30    1.0417    10.4284    11.5260     3.0416     1.7603     9.6343 
   C  31    2.6902    12.3214    13.0293     1.7603     3.0415    11.3901 
   C  32   13.0671     2.7088     2.0694    13.1466    12.1924     3.5322 
   C  33   12.2215     2.0694     2.7088    12.5522    11.4159     3.0693 
   C  34    2.0693    12.2214    13.2890     3.5321     3.0693    11.4158 
   C  35    2.7087    13.0671    13.9617     3.0693     3.5321    12.1923 
   C  36   13.1465     3.0693     1.8001    13.0671    12.2349     3.6766 
   C  37   11.3829     1.8001     3.0693    11.8257    10.6119     2.7087 
   C  38    1.8001    11.3829    12.5223     3.6766     2.7087    10.6119 
   C  39    3.0693    13.1466    13.9244     2.7088     3.6767    12.2350 
   H  40    8.6245     3.2657     3.1512     8.2754     7.6549     2.3451 
   H  41    9.3908     2.8113     2.4059     9.0713     8.4274     2.0295 
   H  42    2.8113     9.3908     9.9726     1.4156     2.0295     8.4274 
   H  43    3.2656     8.6244     9.1797     2.1829     2.3451     7.6548 
   H  44    5.3984     6.1176     6.5338     4.8211     4.3998     5.1245 
   H  45    6.1177     5.3983     5.7469     5.6149     5.1245     4.3997 
   H  46    8.2566     2.4267     3.1022     8.2506     7.3455     1.4332 
   H  47    7.4663     3.1671     3.8918     7.4596     6.5507     2.1944 
   H  48    3.1671     7.4664     8.2754     3.1512     2.1943     6.5507 
   H  49    2.4267     8.2566     9.0713     2.4059     1.4332     7.3455 
   H  50    6.5415     4.0630     4.8211     6.5338     5.6192     3.1102 
   H  51    5.7556     4.8385     5.6149     5.7469     4.8262     3.8982 
   H  52    4.8384     5.7557     6.5470     4.8281     3.8981     4.8263 
   H  53    4.0630     6.5415     7.3422     4.0506     3.1102     5.6193 
   H  54    7.4070     4.3433     4.4727     6.9559     6.4221     3.3533 
   H  55    4.3433     7.4070     7.8743     3.5192     3.3533     6.4222 
   H  56   12.4319     3.1811     1.4558    12.1628    11.4831     3.3913 
   H  57    9.9274     1.4558     3.1811    10.3891     9.1576     1.8711 
   H  58    1.4559     9.9273    11.0736     3.3912     1.8710     9.1576 
   H  59    3.1811    12.4319    13.0623     1.8711     3.3913    11.4831 
   H  60   13.5951     3.2062     2.6893    13.7171    12.7324     4.0814 
   H  61   12.7886     2.6892     3.2034    13.1513    11.9947     3.6892 
   H  62    2.6893    12.7866    13.8777     4.0814     3.6893    11.9930 
   H  63    3.2033    13.5925    14.5192     3.6892     4.0792    12.7299 
   H  64    2.3594    11.4825    12.6862     4.2806     3.2062    10.7477 
   H  65    3.6893    13.7171    14.4640     3.2062     4.2806    12.7977 
   H  66   13.7171     3.6893     2.3593    13.5951    12.7977     4.2806 
   H  67   11.4826     2.3593     3.6893    12.0252    10.7478     3.2061 

              C  25      C  26      C  27      C  28      C  29      C  30
              ------------------------------------------------------------------
   C  25    0.0000 
   C  26   12.3328     0.0000 
   C  27    2.6902    13.9284     0.0000 
   C  28    1.7603    14.0771     2.0694     0.0000 
   C  29    3.0416    12.1962     2.0416     3.5521     0.0000 
   C  30   10.8128     2.0694    12.1779    12.5200    10.3601     0.0000 
   C  31   12.1524     2.0415    14.0653    13.9122    12.5200     3.5521 
   C  32    3.0693    14.8424     1.0416     1.8002     3.0832    13.1306 
   C  33    3.5322    13.9913     1.0141     3.0832     1.8002    12.1603 
   C  34   12.5521     1.0416    13.9731    14.2732    12.1602     1.8001 
   C  35   13.1466     1.0140    14.8272    14.8997    13.1306     3.0832 
   C  36    2.7087    14.9128     1.8001     1.0416     3.7093    13.2915 
   C  37    3.6766    13.1435     1.7680     3.7093     1.0416    11.2705 
   C  38   11.8258     1.8001    13.1243    13.5233    11.2705     1.0416 
   C  39   13.0672     1.7680    14.8998    14.8272    13.2916     3.7094 
   H  40    2.1829    10.3401     4.6297     3.9153     4.1032     8.9642 
   H  41    1.4155    11.1155     3.9834     3.1246     3.7551     9.7024 
   H  42    9.0712     3.9786    11.1060    10.8277     9.7023     3.7552 
   H  43    8.2754     4.6283    10.3311    10.0313     8.9641     4.1032 
   H  44    5.6148     7.0266     7.7710     7.3678     6.5944     5.9354 
   H  45    4.8210     7.7774     7.0214     6.5723     5.9353     6.5945 
   H  46    2.4059    10.0221     4.0989     4.0862     3.0064     8.4338 
   H  47    3.1513     9.2296     4.8732     4.8626     3.6269     7.6635 
   H  48    7.4597     4.8830     9.2168     9.2111     7.6635     3.6269 
   H  49    8.2506     4.1074    10.0090    10.0038     8.4338     3.0064 
   H  50    4.0507     8.3011     5.7894     5.7804     4.4274     6.7678 
   H  51    4.8282     7.5109     6.5746     6.5667     5.1458     6.0138 
   H  52    5.7470     6.5861     7.4989     7.4920     6.0138     5.1458 
   H  53    6.5339     5.8002     8.2887     8.2824     6.7679     4.4274 
   H  54    3.5192     9.0920     5.8599     5.2568     5.0294     7.8220 
   H  55    6.9559     5.8617     9.0847     8.7078     7.8220     5.0295 
   H  56    1.8711    14.1733     2.6893     0.6199     4.0976    12.6797 
   H  57    3.3913    11.6888     2.6616     4.0976     0.6199     9.8244 
   H  58   10.3891     2.6893    11.6696    12.0783     9.8244     0.6199 
   H  59   12.1628     2.6615    14.1628    13.9189    12.6797     4.0976 
   H  60    3.6893    15.3712     1.4559     2.3595     3.4374    13.6317 
   H  61    4.0792    14.5553     1.4333     3.4335     2.3612    12.7046 
   H  62   13.1501     1.4559    14.5347    14.8664    12.7023     2.3594 
   H  63   13.7151     1.4332    15.3527    15.4651    13.6287     3.4334 
   H  64   12.0252     2.3594    13.2088    13.6993    11.3142     1.4559 
   H  65   13.5952     2.3275    15.4672    15.3554    13.8789     4.3148 
   H  66    3.2061    15.4799     2.3593     1.4559     4.3147    13.8789 
   H  67    4.2806    13.2293     2.3275     4.3147     1.4559    11.3142 

              C  31      C  32      C  33      C  34      C  35      C  36
              ------------------------------------------------------------------
   C  31    0.0000 
   C  32   14.8998     0.0000 
   C  33   14.2733     1.7639     0.0000 
   C  34    3.0831    14.9208    13.9604     0.0000 
   C  35    1.8001    15.7244    14.9208     1.7639     0.0000 
   C  36   14.8272     1.0417     2.7164    15.0631    15.7588     0.0000 
   C  37   13.5233     2.7164     1.0417    13.0687    14.0899     3.5681 
   C  38    3.7092    14.0900    13.0688     1.0416     2.7163    14.2786 
   C  39    1.0416    15.7589    15.0632     2.7164     1.0417    15.7244 
   H  40   10.0314     5.1953     5.2668    10.6457    11.1085     4.8905 
   H  41   10.8277     4.4698     4.7046    11.4009    11.8935     4.1117 
   H  42    3.1247    11.8935    11.4010     4.7046     4.4699    11.7635 
   H  43    3.9154    11.1085    10.6458     5.2667     5.1952    10.9693 
   H  44    6.5724     8.4984     8.1768     7.4654     7.7259     8.3156 
   H  45    7.3679     7.7259     7.4654     8.1768     8.4984     7.5243 
   H  46   10.0038     4.8961     4.4910    10.1900    10.8725     4.8907 
   H  47    9.2111     5.6890     5.2110     9.4109    10.0765     5.6843 
   H  48    4.8625    10.0766     9.4111     5.2109     5.6889    10.0739 
   H  49    4.0862    10.8725    10.1901     4.4909     4.8961    10.8701 
   H  50    8.2824     6.6202     6.0802     8.5014     9.1430     6.6162 
   H  51    7.4919     7.4149     6.8349     7.7309     8.3475     7.4113 
   H  52    6.5667     8.3476     7.7310     6.8348     7.4148     8.3444 
   H  53    5.7804     9.1431     8.5016     6.0801     6.6201     9.1402 
   H  54    8.7079     6.4932     6.4032     9.4530     9.8301     6.2279 
   H  55    5.2568     9.8302     9.4531     6.4031     6.4932     9.6570 
   H  56   13.9189     2.3594     3.7032    14.4130    14.9701     1.4558 
   H  57   12.0783     3.7032     2.3594    11.6236    12.6342     4.3127 
   H  58    4.0975    12.6342    11.6237     2.3593     3.7031    12.8261 
   H  59    0.6200    14.9701    14.4131     3.7031     2.3594    14.8545 
   H  60   15.4672     0.6200     1.8674    15.4261    16.2631     1.4559 
   H  61   14.8678     1.8628     0.6199    14.5041    15.4915     2.8931 
   H  62    3.4373    15.4897    14.5019     0.6201     1.8674    15.6473 
   H  63    2.3611    16.2606    15.4232     1.8628     0.6199    16.3141 
   H  64    4.3147    14.1911    13.1057     1.4559     3.2112    14.4232 
   H  65    1.4559    16.3164    15.6458     3.2112     1.4559    16.2631 
   H  66   15.3554     1.4559     3.2112    15.6457    16.3164     0.6200 
   H  67   13.6993     3.2112     1.4559    13.1057    14.1911     4.1177 

              C  37      C  38      C  39      H  40      H  41      H  42
              ------------------------------------------------------------------
   C  37    0.0000 
   C  38   12.1562     0.0000 
   C  39   14.2787     3.5681     0.0000 
   H  40    5.0429     9.9981    10.9694     0.0000 
   H  41    4.6112    10.7319    11.7636     0.7971     0.0000 
   H  42   10.7319     4.6113     4.1118     6.9282     7.7253     0.0000 
   H  43    9.9981     5.0429     4.8906     6.1311     6.9282     0.7971 
   H  44    7.6356     6.9724     7.5245     3.4641     4.2611     3.4641 
   H  45    6.9723     7.6356     8.3157     2.6670     3.4641     4.2612 
   H  46    4.0282     9.4383    10.8702     1.4515     1.6888     7.0108 
   H  47    4.6662     8.6746    10.0739     1.6889     2.2064     6.2331 
   H  48    8.6747     4.6662     5.6843     5.4611     6.2332     2.2063 
   H  49    9.4383     4.0282     4.8908     6.2332     7.0108     1.6888 
   H  50    5.4681     7.7875     9.1402     2.3122     2.9753     5.3282 
   H  51    6.1814     7.0409     8.3444     2.9753     3.6918     4.5664 
   H  52    7.0410     6.1814     7.4113     3.8190     4.5664     3.6917 
   H  53    7.7875     5.4681     6.6162     4.5664     5.3283     2.9752 
   H  54    6.0364     8.8627     9.6570     1.3414     2.1356     5.5965 
   H  55    8.8627     6.0364     6.2279     4.7998     5.5966     2.1355 
   H  56    4.3127    13.6948    14.8546     3.8876     3.0916    10.8131 
   H  57    1.4558    10.7201    12.8262     4.1318     3.8984     9.3211 
   H  58   10.7201     1.4558     4.3127     8.6002     9.3211     3.8984 
   H  59   13.6947     4.3127     1.4558    10.0162    10.8131     3.0916 
   H  60    2.8977    14.5798    16.3164     5.8104     5.0887    12.4759 
   H  61    1.4589    13.6006    15.6490     5.8732     5.2941    12.0095 
   H  62   13.5981     1.4559     2.8977    11.2561    12.0086     5.2956 
   H  63   14.5767     2.8930     1.4589    11.6918    12.4741     5.0884 
   H  64   12.1696     0.6201     4.1178    10.2625    10.9784     5.1626 
   H  65   14.8705     4.1178     0.6200    11.4815    12.2774     4.5806 
   H  66    4.1177    14.8704    16.2632     5.3709     4.5805    12.2774 
   H  67    0.6200    12.1697    14.4233     5.5512     5.1626    10.9785 

              H  43      H  44      H  45      H  46      H  47      H  48
              ------------------------------------------------------------------
   H  43    0.0000 
   H  44    2.6671     0.0000 
   H  45    3.4641     0.7971     0.0000 
   H  46    6.2331     3.6917     2.9752     0.0000 
   H  47    5.4610     2.9752     2.3120     0.7971     0.0000 
   H  48    1.6888     2.3122     2.9753     5.1962     4.3990     0.0000 
   H  49    1.4514     2.9753     3.6918     5.9932     5.1961     0.7971 
   H  50    4.5664     2.2064     1.6888     1.7321     0.9350     3.4641 
   H  51    3.8189     1.6888     1.4515     2.5292     1.7320     2.6670 
   H  52    2.9752     1.4516     1.6889     3.4641     2.6670     1.7320 
   H  53    2.3120     1.6889     2.2064     4.2612     3.4641     0.9350 
   H  54    4.7998     2.1354     1.3413     2.0354     1.6620     4.2428 
   H  55    1.3414     1.3414     2.1356     4.9904     4.2428     1.6620 
   H  56   10.0162     7.3497     6.5529     4.2751     5.0213     9.2925 
   H  57    8.6002     6.3228     5.7080     2.8841     3.4019     7.2383 
   H  58    4.1318     5.7080     6.3228     7.9957     7.2382     3.4018 
   H  59    3.8876     6.5530     7.3498    10.0782     9.2925     5.0212 
   H  60   11.6935     9.0942     8.3256     5.4691     6.2575    10.6322 
   H  61   11.2568     8.7955     8.0853     5.1106     5.8281    10.0068 
   H  62    5.8742     8.0853     8.7953    10.7813    10.0054     5.8276 
   H  63    5.8097     8.3244     9.0928    11.4245    10.6299     6.2555 
   H  64    5.5512     7.3476     7.9795     9.6250     8.8776     5.0356 
   H  65    5.3709     8.0252     8.8199    11.4232    10.6282     6.2508 
   H  66   11.4815     8.8198     8.0251     5.4614     6.2509    10.6282 
   H  67   10.2625     7.9794     7.3475     4.4512     5.0356     8.8777 

              H  49      H  50      H  51      H  52      H  53      H  54
              ------------------------------------------------------------------
   H  49    0.0000 
   H  50    4.2611     0.0000 
   H  51    3.4641     0.7971     0.0000 
   H  52    2.5291     1.7320     0.9350     0.0000 
   H  53    1.7320     2.5291     1.7320     0.7971     0.0000 
   H  54    4.9904     1.6620     2.0354     2.7169     3.3946     0.0000 
   H  55    2.0354     3.3946     2.7169     2.0354     1.6620     3.4641 
   H  56   10.0782     5.9134     6.6832     7.5934     8.3737     5.2171 
   H  57    7.9957     4.1243     4.7985     5.6304     6.3623     4.9171 
   H  58    2.8841     6.3622     5.6303     4.7984     4.1243     7.5047 
   H  59    4.2751     8.3736     7.5934     6.6832     5.9134     8.6811 
   H  60   11.4268     7.1848     7.9768     8.9069     9.7005     7.1029 
   H  61   10.7827     6.6926     7.4431     8.3345     9.1013     7.0204 
   H  62    5.1105     9.1000     8.3333     7.4422     6.6919    10.0688 
   H  63    5.4671     9.6983     8.9046     7.9746     7.1827    10.4212 
   H  64    4.4512     8.0132     7.2901     6.4641     5.7861     9.1701 
   H  65    5.4614     9.6962     8.9022     7.9715     7.1790    10.1605 
   H  66   11.4231     7.1790     7.9715     8.9022     9.6962     6.7122 
   H  67    9.6250     5.7862     6.4641     7.2902     8.0133     6.4805 

              H  55      H  56      H  57      H  58      H  59      H  60
              ------------------------------------------------------------------
   H  55    0.0000 
   H  56    8.6811     0.0000 
   H  57    7.5048     4.6187     0.0000 
   H  58    4.9170    12.2595     9.2793     0.0000 
   H  59    5.2170    13.8980    12.2595     4.6187     0.0000 
   H  60   10.4227     2.8788     4.0512    13.1250    15.5472     0.0000 
   H  61   10.0693     4.0473     2.8811    12.1604    15.0142     1.7542 
   H  62    7.0209    15.0131    12.1580     2.8788     4.0512    15.9890 
   H  63    7.1019    15.5453    13.1219     4.0472     2.8811    16.7933 
   H  64    6.4805    13.8963    10.7486     1.6658     4.9220    14.6642 
   H  65    6.7122    15.3689    13.4194     4.9220     1.6657    16.8783 
   H  66   10.1605     1.6657     4.9219    13.4193    15.3689     1.6658 
   H  67    9.1701     4.9219     1.6657    10.7486    13.8963     3.3083 

              H  61      H  62      H  63      H  64      H  65      H  66
              ------------------------------------------------------------------
   H  61    0.0000 
   H  62   15.0391     0.0000 
   H  63   15.9880     1.7542     0.0000 
   H  64   13.6222     1.6658     3.3035     0.0000 
   H  65   16.2342     3.3084     1.6701     4.6444     0.0000 
   H  66    3.3035    16.2327    16.8761    15.0221    16.7959     0.0000 
   H  67    1.6700    13.6196    14.6610    12.1515    15.0222     4.6443 

              H  67
              -----------
   H  67    0.0000 



ATOMIC CHARGES
   O   1   -0.2669368582
   O   2   -0.2669368582
   O   3   -0.2669368582
   O   4   -0.2669368582
   N   5   -0.2736253311
   N   6   -0.2736253311
   N   7   -0.3142454783
   N   8   -0.3142454783
   C   9    0.0420847818
   C  10    0.0420847818
   C  11    0.0067569138
   C  12    0.0067569138
   C  13   -0.0278425001
   C  14    0.0140999260
   C  15    0.0140999260
   C  16   -0.0028893065
   C  17   -0.0028893065
   C  18    0.0480038153
   C  19    0.0480038153
   C  20    0.0480038153
   C  21    0.0480038153
   C  22    0.2618275379
   C  23    0.2618275379
   C  24    0.2618275379
   C  25    0.2618275379
   C  26   -0.0164216394
   C  27   -0.0164216394
   C  28   -0.0487858403
   C  29   -0.0487858403
   C  30   -0.0487858403
   C  31   -0.0487858403
   C  32   -0.0539699429
   C  33   -0.0539699429
   C  34   -0.0539699429
   C  35   -0.0539699429
   C  36   -0.0604442995
   C  37   -0.0604442995
   C  38   -0.0604442995
   C  39   -0.0604442995
   H  40    0.0506281538
   H  41    0.0506281538
   H  42    0.0506281538
   H  43    0.0506281538
   H  44    0.0289733945
   H  45    0.0289733945
   H  46    0.0441456010
   H  47    0.0441456010
   H  48    0.0441456010
   H  49    0.0441456010
   H  50    0.0424389808
   H  51    0.0424389808
   H  52    0.0424389808
   H  53    0.0424389808
   H  54    0.1219986608
   H  55    0.1219986608
   H  56    0.0625290778
   H  57    0.0625290778
   H  58    0.0625290778
   H  59    0.0625290778
   H  60    0.0623623906
   H  61    0.0623623906
   H  62    0.0623623906
   H  63    0.0623623906
   H  64    0.0617960479
   H  65    0.0617960479
   H  66    0.0617960479
   H  67    0.0617960479


BOND ANGLES
   9    5   24   C3  Nar  Car    120.001
   9    5   25   C3  Nar  Car    119.998
  24    5   25  Car  Nar  Car    120.001
  10    6   22   C3  Nar  Car    120.001
  10    6   23   C3  Nar  Car    119.999
  22    6   23  Car  Nar  Car    120.001
  14    7   17   C3   N3   C3    120.001
  14    7   54   C3   N3   HC    120.002
  17    7   54   C3   N3   HC    119.998
  15    8   16   C3   N3   C3    119.998
  15    8   55   C3   N3   HC    120.000
  16    8   55   C3   N3   HC    120.002
   5    9   14  Nar   C3   C3    120.001
   5    9   40  Nar   C3   HC    159.996
   5    9   41  Nar   C3   HC     79.997
  14    9   40   C3   C3   HC     80.004
  14    9   41   C3   C3   HC    160.002
  40    9   41   HC   C3   HC     79.999
   6   10   15  Nar   C3   C3    120.001
   6   10   42  Nar   C3   HC     80.004
   6   10   43  Nar   C3   HC    160.002
  15   10   42   C3   C3   HC    159.996
  15   10   43   C3   C3   HC     79.997
  42   10   43   HC   C3   HC     79.999
  18   11   19  Car  Car  Car    120.001
  18   11   26  Car  Car  Car    119.116
  19   11   26  Car  Car  Car    120.884
  20   12   21  Car  Car  Car    120.001
  20   12   27  Car  Car  Car    119.121
  21   12   27  Car  Car  Car    120.878
  16   13   17   C3   C3   C3    120.001
  16   13   44   C3   C3   HC     80.004
  16   13   45   C3   C3   HC    160.002
  17   13   44   C3   C3   HC    159.996
  17   13   45   C3   C3   HC     79.997
  44   13   45   HC   C3   HC     79.999
   7   14    9   N3   C3   C3    120.001
   7   14   46   N3   C3   HC    160.004
   7   14   47   N3   C3   HC     79.997
   9   14   46   C3   C3   HC     79.995
   9   14   47   C3   C3   HC    160.002
  46   14   47   HC   C3   HC     80.007
   8   15   10   N3   C3   C3    119.998
   8   15   48   N3   C3   HC     79.998
   8   15   49   N3   C3   HC    160.007
  10   15   48   C3   C3   HC    160.004
  10   15   49   C3   C3   HC     79.995
  48   15   49   HC   C3   HC     80.009
   8   16   13   N3   C3   C3    120.001
   8   16   52   N3   C3   HC    159.996
   8   16   53   N3   C3   HC     79.997
  13   16   52   C3   C3   HC     80.004
  13   16   53   C3   C3   HC    160.002
  52   16   53   HC   C3   HC     79.999
   7   17   13   N3   C3   C3    120.001
   7   17   50   N3   C3   HC     80.004
   7   17   51   N3   C3   HC    160.002
  13   17   50   C3   C3   HC    159.996
  13   17   51   C3   C3   HC     79.997
  50   17   51   HC   C3   HC     79.999
  11   18   22  Car  Car  Car    119.999
  11   18   31  Car  Car  Car    120.881
  22   18   31  Car  Car  Car    119.121
  11   19   23  Car  Car  Car    120.001
  11   19   30  Car  Car  Car    120.884
  23   19   30  Car  Car  Car    119.116
  12   20   24  Car  Car  Car    120.001
  12   20   29  Car  Car  Car    120.885
  24   20   29  Car  Car  Car    119.114
  12   21   25  Car  Car  Car    119.998
  12   21   28  Car  Car  Car    120.888
  25   21   28  Car  Car  Car    119.114
   4   22    6   O2  Car  Nar    120.001
   4   22   18   O2  Car  Car    119.999
   6   22   18  Nar  Car  Car    120.001
   3   23    6   O2  Car  Nar    120.001
   3   23   19   O2  Car  Car    120.001
   6   23   19  Nar  Car  Car    119.999
   2   24    5   O2  Car  Nar    119.999
   2   24   20   O2  Car  Car    120.001
   5   24   20  Nar  Car  Car    120.001
   1   25    5   O2  Car  Nar    120.001
   1   25   21   O2  Car  Car    120.001
   5   25   21  Nar  Car  Car    119.998
  11   26   34  Car  Car  Car    119.554
  11   26   35  Car  Car  Car    122.245
  34   26   35  Car  Car  Car    118.201
  12   27   32  Car  Car  Car    119.565
  12   27   33  Car  Car  Car    122.244
  32   27   33  Car  Car  Car    118.191
  21   28   36  Car  Car  Car    119.554
  21   28   56  Car  Car   HC    120.229
  36   28   56  Car  Car   HC    120.216
  20   29   37  Car  Car  Car    119.554
  20   29   57  Car  Car   HC    120.229
  37   29   57  Car  Car   HC    120.216
  19   30   38  Car  Car  Car    119.554
  19   30   58  Car  Car   HC    120.218
  38   30   58  Car  Car   HC    120.228
  18   31   39  Car  Car  Car    119.565
  18   31   59  Car  Car   HC    120.219
  39   31   59  Car  Car   HC    120.216
  27   32   36  Car  Car  Car    119.552
  27   32   60  Car  Car   HC    120.223
  36   32   60  Car  Car   HC    120.225
  27   33   37  Car  Car  Car    118.633
  27   33   61  Car  Car   HC    120.689
  37   33   61  Car  Car   HC    120.678
  26   34   38  Car  Car  Car    119.563
  26   34   62  Car  Car   HC    120.217
  38   34   62  Car  Car   HC    120.221
  26   35   39  Car  Car  Car    118.642
  26   35   63  Car  Car   HC    120.685
  39   35   63  Car  Car   HC    120.674
  28   36   32  Car  Car  Car    119.563
  28   36   66  Car  Car   HC    120.226
  32   36   66  Car  Car   HC    120.210
  29   37   33  Car  Car  Car    119.563
  29   37   67  Car  Car   HC    120.226
  33   37   67  Car  Car   HC    120.210
  30   38   34  Car  Car  Car    119.563
  30   38   64  Car  Car   HC    120.217
  34   38   64  Car  Car   HC    120.221
  31   39   35  Car  Car  Car    119.552
  31   39   65  Car  Car   HC    120.223
  35   39   65  Car  Car   HC    120.225


TORSION ANGLES
  24    5    9   14      0.026
  24    5    9   40    179.974
  24    5    9   41    179.974
  25    5    9   14    179.974
  25    5    9   40      0.026
  25    5    9   41      0.026
   9    5   24    2      0.026
   9    5   24   20    179.974
  25    5   24    2    179.974
  25    5   24   20      0.026
   9    5   25    1      0.026
   9    5   25   21    179.974
  24    5   25    1    179.974
  24    5   25   21      0.026
  22    6   10   15    179.974
  22    6   10   42      0.026
  22    6   10   43      0.026
  23    6   10   15      0.026
  23    6   10   42    179.974
  23    6   10   43    179.974
  10    6   22    4      0.026
  10    6   22   18    179.974
  23    6   22    4    179.974
  23    6   22   18      0.026
  10    6   23    3      0.026
  10    6   23   19    179.974
  22    6   23    3    179.974
  22    6   23   19      0.026
  17    7   14    9    179.974
  17    7   14   46      0.026
  17    7   14   47      0.026
  54    7   14    9      0.026
  54    7   14   46    179.974
  54    7   14   47    179.974
  14    7   17   13    179.974
  14    7   17   50      0.026
  14    7   17   51      0.026
  54    7   17   13      0.026
  54    7   17   50    179.974
  54    7   17   51    179.974
  16    8   15   10    179.974
  16    8   15   48      0.026
  16    8   15   49      0.026
  55    8   15   10      0.026
  55    8   15   48    179.974
  55    8   15   49    179.974
  15    8   16   13    179.974
  15    8   16   52      0.026
  15    8   16   53      0.026
  55    8   16   13      0.026
  55    8   16   52    179.974
  55    8   16   53    179.974
   5    9   14    7    179.974
   5    9   14   46      0.026
   5    9   14   47      0.026
  40    9   14    7      0.026
  40    9   14   46    179.974
  40    9   14   47    179.974
  41    9   14    7      0.026
  41    9   14   46    179.974
  41    9   14   47    179.974
   6   10   15    8    179.974
   6   10   15   48      0.026
   6   10   15   49      0.026
  42   10   15    8      0.026
  42   10   15   48    179.974
  42   10   15   49    179.974
  43   10   15    8      0.026
  43   10   15   48    179.974
  43   10   15   49    179.974
  19   11   18   22      0.026
  19   11   18   31    179.974
  26   11   18   22    179.974
  26   11   18   31      0.026
  18   11   19   23      0.026
  18   11   19   30    179.974
  26   11   19   23    179.974
  26   11   19   30      0.026
  18   11   26   34    179.974
  18   11   26   35      0.026
  19   11   26   34      0.026
  19   11   26   35    179.974
  21   12   20   24      0.026
  21   12   20   29    179.974
  27   12   20   24    179.974
  27   12   20   29      0.026
  20   12   21   25      0.026
  20   12   21   28    179.974
  27   12   21   25    179.974
  27   12   21   28      0.026
  20   12   27   32    179.974
  20   12   27   33      0.026
  21   12   27   32      0.026
  21   12   27   33    179.974
  17   13   16    8    179.974
  17   13   16   52      0.026
  17   13   16   53      0.026
  44   13   16    8      0.026
  44   13   16   52    179.974
  44   13   16   53    179.974
  45   13   16    8      0.026
  45   13   16   52    179.974
  45   13   16   53    179.974
  16   13   17    7    179.974
  16   13   17   50      0.026
  16   13   17   51      0.026
  44   13   17    7      0.026
  44   13   17   50    179.974
  44   13   17   51    179.974
  45   13   17    7      0.026
  45   13   17   50    179.974
  45   13   17   51    179.974
  11   18   22    4    179.974
  11   18   22    6      0.026
  31   18   22    4      0.026
  31   18   22    6    179.974
  11   18   31   39      0.026
  11   18   31   59    179.974
  22   18   31   39    179.974
  22   18   31   59      0.026
  11   19   23    3    179.974
  11   19   23    6      0.026
  30   19   23    3      0.026
  30   19   23    6    179.974
  11   19   30   38      0.026
  11   19   30   58    179.974
  23   19   30   38    179.974
  23   19   30   58      0.026
  12   20   24    2    179.974
  12   20   24    5      0.026
  29   20   24    2      0.026
  29   20   24    5    179.974
  12   20   29   37      0.026
  12   20   29   57    179.974
  24   20   29   37    179.974
  24   20   29   57      0.026
  12   21   25    1    179.974
  12   21   25    5      0.026
  28   21   25    1      0.026
  28   21   25    5    179.974
  12   21   28   36      0.026
  12   21   28   56    179.974
  25   21   28   36    179.974
  25   21   28   56      0.026
  11   26   34   38      0.026
  11   26   34   62    179.974
  35   26   34   38    179.974
  35   26   34   62      0.026
  11   26   35   39      0.026
  11   26   35   63    179.974
  34   26   35   39    179.974
  34   26   35   63      0.026
  12   27   32   36      0.026
  12   27   32   60    179.974
  33   27   32   36    179.974
  33   27   32   60      0.026
  12   27   33   37      0.026
  12   27   33   61    179.974
  32   27   33   37    179.974
  32   27   33   61      0.026
  21   28   36   32      0.026
  21   28   36   66    179.974
  56   28   36   32    179.974
  56   28   36   66      0.026
  20   29   37   33      0.026
  20   29   37   67    179.974
  57   29   37   33    179.974
  57   29   37   67      0.026
  19   30   38   34      0.026
  19   30   38   64    179.974
  58   30   38   34    179.974
  58   30   38   64      0.026
  18   31   39   35      0.026
  18   31   39   65    179.974
  59   31   39   35    179.974
  59   31   39   65      0.026
  27   32   36   28      0.026
  27   32   36   66    179.974
  60   32   36   28    179.974
  60   32   36   66      0.026
  27   33   37   29      0.026
  27   33   37   67    179.974
  61   33   37   29    179.974
  61   33   37   67      0.026
  26   34   38   30      0.026
  26   34   38   64    179.974
  62   34   38   30    179.974
  62   34   38   64      0.026
  26   35   39   31      0.026
  26   35   39   65    179.974
  63   35   39   31    179.974
  63   35   39   65      0.026