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1,3-bis(4-phenoxyphenoxy)benzene
1,3-bis(4-phenoxyphenoxy)benzene ID: AN-20662
CAS:1638-12-6
Supplier:AN PharmaTech Co Ltd

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SMILES:O(c1cc(Oc2ccc(Oc3ccccc3)cc2)ccc1)c1ccc(Oc2ccccc2)cc1	74223
FORMULA: C30H22O4
MASS: 446.4933
EXACT MASS: 446.1518092
INTERATOMIC DISTANCES

              O   1      O   2      O   3      O   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    3.4641     0.0000 
   O   3    4.0000     7.2111     0.0000 
   O   4    7.2111     4.0000    10.3923     0.0000 
   C   5    1.0000     2.6457     4.5826     6.2450     0.0000 
   C   6    2.6457     1.0000     6.2450     4.5826     1.7320     0.0000 
   C   7    1.0001     4.3589     2.9999     7.9373     1.7321     3.4641 
   C   8    4.3589     1.0000     7.9372     3.0000     3.4641     1.7320 
   C   9    1.7320     1.7320     5.5677     5.5678     1.0000     1.0000 
   C  10    3.0000     6.2450     1.0000     9.5394     3.6056     5.2915 
   C  11    6.2450     3.0000     9.5394     1.0000     5.2915     3.6055 
   C  12    1.7321     3.0000     4.3589     6.0828     1.0001     2.0000 
   C  13    3.0000     1.7320     6.0828     4.3589     2.0000     1.0000 
   C  14    1.7321     4.5826     2.6457     7.8102     2.0000     3.6056 
   C  15    1.7321     5.1962     2.6457     8.8882     2.6458     4.3589 
   C  16    5.1962     1.7321     8.8882     2.6458     4.3589     2.6458 
   C  17    4.5826     1.7320     7.8102     2.6457     3.6055     2.0000 
   C  18    2.6458     2.6458     5.1961     5.1962     1.7321     1.7321 
   C  19    2.6458     5.5677     1.7320     8.6602     3.0000     4.5826 
   C  20    2.6458     6.0828     1.7320     9.6437     3.4641     5.1962 
   C  21    6.0828     2.6458     9.6437     1.7321     5.1962     3.4641 
   C  22    5.5678     2.6457     8.6602     1.7320     4.5826     3.0000 
   C  23    4.5826     7.9372     1.0000    11.2694     5.2915     7.0000 
   C  24    7.9373     4.5826    11.2694     1.0001     7.0000     5.2915 
   C  25    5.5678     8.8882     1.7321    12.1244     6.2450     7.9373 
   C  26    4.3589     7.8102     1.7320    11.3578     5.1962     6.9282 
   C  27    7.8102     4.3589    11.3578     1.7321     6.9282     5.1962 
   C  28    8.8882     5.5678    12.1244     1.7321     7.9373     6.2450 
   C  29    6.2450     9.6437     2.6458    13.0000     7.0000     8.7178 
   C  30    5.1962     8.6602     2.6457    12.2882     6.0828     7.8102 
   C  31    8.6602     5.1962    12.2882     2.6458     7.8102     6.0828 
   C  32    9.6437     6.2450    13.0000     2.6458     8.7178     7.0000 
   C  33    6.0828     9.5394     3.0000    13.0767     6.9282     8.6602 
   C  34    9.5394     6.0828    13.0767     3.0000     8.6602     6.9282 
   H  35    1.8396     1.8397     5.8193     5.8193     1.4157     1.4158 
   H  36    1.8397     3.6200     3.7979     6.6018     1.4158     2.6200 
   H  37    3.6200     1.8396     6.6018     3.7979     2.6200     1.4158 
   H  38    1.8397     4.2029     3.1407     7.2598     1.7733     3.2069 
   H  39    1.8397     5.2330     3.1408     9.0479     2.8292     4.4726 
   H  40    5.2330     1.8397     9.0479     3.1408     4.4726     2.8292 
   H  41    4.2029     1.8396     7.2598     3.1407     3.2069     1.7732 
   H  42    3.1408     3.1408     5.2330     5.2330     2.2901     2.2901 
   H  43    3.1408     5.8193     1.8397     8.6824     3.3533     4.8212 
   H  44    3.1408     6.6018     1.8396    10.2247     4.0131     5.7415 
   H  45    6.6018     3.1408    10.2247     1.8397     5.7415     4.0130 
   H  46    5.8193     3.1407     8.6824     1.8396     4.8212     3.3533 
   H  47    5.8193     9.0479     1.8397    12.1402     6.4222     8.0774 
   H  48    3.7980     7.2598     1.8396    10.8731     4.6695     6.3988 
   H  49    7.2598     3.7980    10.8731     1.8397     6.3988     4.6695 
   H  50    9.0479     5.8193    12.1402     1.8397     8.0774     6.4222 
   H  51    6.8429    10.2247     3.1408    13.5286     7.5792     9.2900 
   H  52    5.2330     8.6824     3.1407    12.4042     6.1648     7.8743 
   H  53    8.6824     5.2330    12.4042     3.1408     7.8742     6.1647 
   H  54   10.2247     6.8428    13.5286     3.1408     9.2900     7.5792 
   H  55    6.6018    10.0650     3.6200    13.6479     7.4716     9.2024 
   H  56   10.0650     6.6018    13.6478     3.6200     9.2024     7.4716 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    5.1962     0.0000 
   C   9    2.6458     2.6457     0.0000 
   C  10    2.0000     7.0000     4.5826     0.0000 
   C  11    7.0000     2.0000     4.5826     8.6602     0.0000 
   C  12    2.0000     3.6056     1.7321     3.4641     5.1962     0.0000 
   C  13    3.6056     2.0000     1.7320     5.1962     3.4641     1.7321 
   C  14    1.0000     5.2915     3.0000     1.7320     6.9282     1.7320 
   C  15    1.0000     6.0828     3.4641     1.7320     7.9373     3.0000 
   C  16    6.0828     1.0001     3.4641     7.9373     1.7321     4.5827 
   C  17    5.2915     1.0000     3.0000     6.9282     1.7320     3.4641 
   C  18    3.0000     3.0000     2.0000     4.3589     4.3589     1.0000 
   C  19    1.7320     6.2450     4.0000     1.0000     7.8102     2.6457 
   C  20    1.7320     6.9282     4.3589     1.0000     8.7178     3.6055 
   C  21    6.9283     1.7321     4.3589     8.7178     1.0001     5.2916 
   C  22    6.2450     1.7320     4.0000     7.8102     1.0000     4.3589 
   C  23    3.6055     8.7178     6.2450     1.7320    10.3923     5.1961 
   C  24    8.7178     3.6056     6.2450    10.3923     1.7321     6.9283 
   C  25    4.5826     9.6437     7.2111     2.6458    11.2694     6.0828 
   C  26    3.4641     8.6602     6.0828     2.0000    10.4403     5.2915 
   C  27    8.6603     3.4641     6.0828    10.4403     2.0000     7.0000 
   C  28    9.6437     4.5826     7.2111    11.2694     2.6458     7.8103 
   C  29    5.2915    10.4403     7.9373     3.4641    12.1244     6.9282 
   C  30    4.3589     9.5394     6.9282     3.0000    11.3578     6.2450 
   C  31    9.5394     4.3589     6.9282    11.3578     3.0000     7.9373 
   C  32   10.4403     5.2915     7.9373    12.1244     3.4641     8.6603 
   C  33    5.1961    10.3923     7.8102     3.6055    12.1655     7.0000 
   C  34   10.3923     5.1962     7.8102    12.1655     3.6056     8.7178 
   H  35    2.8292     2.8292     0.6200     4.8212     4.8212     2.2901 
   H  36    1.7732     4.2100     2.2901     2.9435     5.7415     0.6200 
   H  37    4.2101     1.7732     2.2901     5.7415     2.9435     2.2901 
   H  38    1.4158     4.8399     2.7431     2.2901     6.3988     1.2346 
   H  39    1.4158     6.1648     3.5191     2.2901     8.0774     3.3533 
   H  40    6.1648     1.4158     3.5192     8.0774     2.2901     4.8213 
   H  41    4.8399     1.4157     2.7431     6.3988     2.2900     2.9436 
   H  42    3.3533     3.3533     2.6200     4.4726     4.4726     1.4158 
   H  43    2.2900     6.4221     4.3433     1.4158     7.8742     2.8291 
   H  44    2.2901     7.4716     4.8708     1.4158     9.2900     4.2100 
   H  45    7.4716     2.2901     4.8708     9.2900     1.4158     5.8809 
   H  46    6.4222     2.2900     4.3433     7.8743     1.4157     4.4727 
   H  47    4.8212     9.7593     7.4071     2.8292    11.3139     6.1647 
   H  48    2.9435     8.1292     5.5285     1.7732     9.9421     4.8399 
   H  49    8.1293     2.9436     5.5285     9.9421     1.7733     6.5242 
   H  50    9.7593     4.8212     7.4070    11.3139     2.8292     7.8743 
   H  51    5.8808    11.0075     8.5255     4.0130    12.6651     7.4716 
   H  52    4.4726     9.5919     6.9559     3.3533    11.4562     6.4222 
   H  53    9.5919     4.4726     6.9559    11.4562     3.3533     8.0774 
   H  54   11.0075     5.8809     8.5255    12.6651     4.0131     9.2024 
   H  55    5.7414    10.9336     8.3333     4.2100    12.7289     7.5792 
   H  56   10.9336     5.7415     8.3333    12.7289     4.2100     9.2900 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    3.4641     0.0000 
   C  15    4.5826     1.7320     0.0000 
   C  16    3.0000     6.2450     6.9283     0.0000 
   C  17    1.7320     5.1962     6.2450     1.7321     0.0000 
   C  18    1.0001     2.6457     4.0000     4.0001     2.6458     0.0000 
   C  19    4.3589     1.0000     2.0000     7.2111     6.0828     3.4641 
   C  20    5.2915     2.0000     1.0000     7.8103     7.0000     4.5826 
   C  21    3.6056     7.0000     7.8103     1.0000     2.0000     4.5827 
   C  22    2.6457     6.0828     7.2111     2.0000     1.0000     3.4641 
   C  23    6.9282     3.4641     2.9999     9.6437     8.6602     6.0827 
   C  24    5.1962     8.6603     9.6437     3.0000     3.4641     6.0828 
   C  25    7.8103     4.3589     4.0000    10.5831     9.5394     6.9282 
   C  26    7.0000     3.6055     2.6457     9.5394     8.7178     6.2450 
   C  27    5.2915     8.7178     9.5394     2.6457     3.6056     6.2450 
   C  28    6.0828     9.5394    10.5830     4.0000     4.3589     6.9283 
   C  29    8.6603     5.1962     4.5826    11.3579    10.3923     7.8102 
   C  30    7.9373     4.5826     3.4641    10.3923     9.6437     7.2111 
   C  31    6.2450     9.6437    10.3923     3.4641     4.5826     7.2111 
   C  32    6.9282    10.3923    11.3578     4.5826     5.1962     7.8103 
   C  33    8.7178     5.2915     4.3589    11.2694    10.4403     7.9372 
   C  34    7.0000    10.4403    11.2694     4.3589     5.2915     7.9373 
   H  35    2.2900     3.3533     3.5192     3.5192     3.3533     2.6200 
   H  36    2.2901     1.2347     2.7431     5.1928     4.0130     1.4158 
   H  37    0.6200     4.0131     5.1927     2.7431     1.2346     1.4158 
   H  38    2.9436     0.6200     2.2901     5.8142     4.6695     2.0699 
   H  39    4.8212     2.2901     0.6201     6.9559     6.4222     4.3433 
   H  40    3.3533     6.4222     6.9559     0.6200     2.2901     4.3434 
   H  41    1.2347     4.6695     5.8142     2.2901     0.6200     2.0699 
   H  42    1.4158     2.8292     4.3433     4.3434     2.8292     0.6200 
   H  43    4.4726     1.4157     2.6199     7.4071     6.1647     3.5191 
   H  44    5.8809     2.6200     1.4158     8.3334     7.5792     5.1927 
   H  45    4.2100     7.5792     8.3334     1.4158     2.6200     5.1928 
   H  46    2.8292     6.1648     7.4071     2.6200     1.4158     3.5192 
   H  47    7.8743     4.4726     4.3433    10.7175     9.5919     6.9559 
   H  48    6.5242     3.2069     2.0699     8.9914     8.2283     5.8142 
   H  49    4.8399     8.2283     8.9914     2.0699     3.2069     5.8142 
   H  50    6.1648     9.5919    10.7175     4.3433     4.4726     6.9559 
   H  51    9.2024     5.7415     5.1927    11.9334    10.9336     8.3333 
   H  52    8.0774     4.8212     3.5191    10.4108     9.7593     7.4070 
   H  53    6.4221     9.7593    10.4108     3.5191     4.8212     7.4071 
   H  54    7.4716    10.9337    11.9334     5.1927     5.7415     8.3334 
   H  55    9.2900     5.8808     4.8707    11.7968    11.0075     8.5255 
   H  56    7.5792    11.0075    11.7968     4.8707     5.8808     8.5255 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    1.7320     0.0000 
   C  21    7.9373     8.6603     0.0000 
   C  22    6.9282     7.9373     1.7321     0.0000 
   C  23    2.6457     2.0000    10.4403     9.5394     0.0000 
   C  24    9.5394    10.4403     2.0000     2.6458    12.1244     0.0000 
   C  25    3.4641     3.0000    11.3579    10.3923     1.0001    13.0001 
   C  26    3.0000     1.7320    10.3923     9.6437     1.0000    12.1655 
   C  27    9.6437    10.3923     1.7320     3.0000    12.1655     1.0000 
   C  28   10.3923    11.3578     3.0000     3.4641    13.0000     1.0000 
   C  29    4.3589     3.6056    12.1656    11.2694     1.7321    13.8565 
   C  30    4.0000     2.6457    11.2694    10.5830     1.7320    13.0767 
   C  31   10.5830    11.2694     2.6457     4.0000    13.0767     1.7320 
   C  32   11.2694    12.1655     3.6055     4.3589    13.8564     1.7320 
   C  33    4.5826     3.4641    12.1244    11.3578     2.0000    13.8925 
   C  34   11.3578    12.1244     3.4641     4.5826    13.8924     2.0000 
   H  35    4.3433     4.4726     4.4727     4.3433     6.4221     6.4222 
   H  36    2.0699     3.2069     5.8809     4.8708     4.6695     7.4716 
   H  37    4.8708     5.8809     3.2069     2.0699     7.4716     4.6695 
   H  38    1.4158     2.6200     6.5242     5.5285     4.0130     8.1293 
   H  39    2.6200     1.4158     7.8743     7.4070     3.3533     9.7593 
   H  40    7.4071     7.8743     1.4158     2.6200     9.7593     3.3533 
   H  41    5.5285     6.5242     2.6200     1.4158     8.1292     4.0130 
   H  42    3.5191     4.8212     4.8213     3.5192     6.1648     6.1648 
   H  43    0.6200     2.2900     8.0774     6.9559     2.8292     9.5919 
   H  44    2.2901     0.6200     9.2024     8.5255     1.7732    11.0075 
   H  45    8.5255     9.2024     0.6200     2.2901    11.0075     1.7732 
   H  46    6.9559     8.0774     2.2901     0.6200     9.5919     2.8292 
   H  47    3.5192     3.3533    11.4562    10.4108     1.4158    13.0386 
   H  48    2.7431     1.2347     9.8603     9.1698     1.4157    11.6613 
   H  49    9.1698     9.8603     1.2346     2.7431    11.6612     1.4158 
   H  50   10.4108    11.4562     3.3533     3.5191    13.0386     1.4158 
   H  51    4.8708     4.2100    12.7289    11.7968     2.2901    14.3967 
   H  52    4.3433     2.8292    11.3139    10.7175     2.2900    13.1623 
   H  53   10.7175    11.3139     2.8291     4.3433    13.1622     2.2900 
   H  54   11.7968    12.7289     4.2100     4.8708    14.3967     2.2901 
   H  55    5.1927     4.0130    12.6651    11.9333     2.6200    14.4528 
   H  56   11.9333    12.6651     4.0130     5.1927    14.4528     2.6199 

              C  25      C  26      C  27      C  28      C  29      C  30
              ------------------------------------------------------------------
   C  25    0.0000 
   C  26    1.7321     0.0000 
   C  27   13.0767    12.1244     0.0000 
   C  28   13.8565    13.0767     1.7320     0.0000 
   C  29    1.0000     2.0000    13.8925    14.7310     0.0000 
   C  30    2.0000     1.0000    13.0000    14.0000     1.7321     0.0000 
   C  31   14.0000    13.0000     1.0000     2.0000    14.7987    13.8564 
   C  32   14.7310    13.8925     2.0000     1.0000    15.5885    14.7987 
   C  33    1.7321     1.7320    13.8564    14.7987     1.0001     1.0000 
   C  34   14.7987    13.8564     1.7320     1.7320    15.6205    14.7309 
   H  35    7.4071     6.1647     6.1648     7.4071     8.0774     6.9559 
   H  36    5.5285     4.8399     7.5792     8.3334     6.3988     5.8142 
   H  37    8.3334     7.5792     4.8399     5.5285     9.2024     8.5255 
   H  38    4.8708     4.2100     8.2283     8.9914     5.7415     5.1927 
   H  39    4.3434     2.8292     9.5919    10.7175     4.8213     3.5192 
   H  40   10.7175     9.5919     2.8292     4.3433    11.4562    10.4108 
   H  41    8.9914     8.2283     4.2100     4.8708     9.8603     9.1698 
   H  42    6.9559     6.4222     6.4222     6.9559     7.8743     7.4070 
   H  43    3.5192     3.3533     9.7593    10.4108     4.4727     4.3433 
   H  44    2.7431     1.2346    10.9337    11.9334     3.2069     2.0699 
   H  45   11.9334    10.9336     1.2347     2.7431    12.7289    11.7968 
   H  46   10.4108     9.7593     3.3533     3.5192    11.3139    10.7175 
   H  47    0.6200     2.2901    13.1623    13.8703     1.4158     2.6200 
   H  48    2.2901     0.6200    11.5916    12.5843     2.6200     1.4158 
   H  49   12.5843    11.5916     0.6200     2.2901    13.3838    12.4549 
   H  50   13.8703    13.1622     2.2901     0.6201    14.7650    14.1019 
   H  51    1.4158     2.6200    14.4529    15.2606     0.6200     2.2901 
   H  52    2.6200     1.4158    13.0386    14.1020     2.2901     0.6200 
   H  53   14.1019    13.0386     1.4157     2.6199    14.8743    13.8702 
   H  54   15.2606    14.4528     2.6200     1.4158    16.1284    15.3663 
   H  55    2.2901     2.2901    14.3967    15.3663     1.4158     1.4158 
   H  56   15.3663    14.3967     2.2900     2.2900    16.1785    15.2605 

              C  31      C  32      C  33      C  34      H  35      H  36
              ------------------------------------------------------------------
   C  31    0.0000 
   C  32    1.7320     0.0000 
   C  33   14.7309    15.6205     0.0000 
   C  34    1.0000     1.0000    15.5884     0.0000 
   H  35    6.9559     8.0774     7.8742     7.8743     0.0000 
   H  36    8.5255     9.2024     6.5241     9.2900     2.8059     0.0000 
   H  37    5.8141     6.3988     9.2900     6.5241     2.8059     2.8059 
   H  38    9.1698     9.8603     5.8808     9.9421     3.1864     0.6582 
   H  39   10.4108    11.4562     4.4726    11.3139     3.4641     3.1864 
   H  40    3.5191     4.8212    11.3139     4.4726     3.4641     5.4400 
   H  41    5.1927     5.7415     9.9421     5.8808     3.1864     3.4641 
   H  42    7.4071     7.8743     8.0774     8.0774     3.2400     1.6200 
   H  43   10.7175    11.3139     4.8212    11.4562     4.7431     2.2145 
   H  44   11.7968    12.7289     2.9435    12.6651     4.9340     3.8242 
   H  45    2.0699     3.2069    12.6651     2.9435     4.9340     6.4759 
   H  46    4.3433     4.4726    11.4562     4.8212     4.7431     4.9340 
   H  47   14.1019    14.7650     2.2901    14.8743     7.6484     5.5843 
   H  48   12.4549    13.3838     2.2900    13.3231     5.5843     4.4292 
   H  49    1.4158     2.6200    13.3231     2.2901     5.5843     7.1151 
   H  50    2.6200     1.4158    14.8743     2.2901     7.6484     8.3704 
   H  51   15.3663    16.1284     1.4158    16.1785     8.6783     6.9282 
   H  52   13.8703    14.8743     1.4157    14.7650     6.9282     6.0360 
   H  53    0.6200     2.2900    14.7649     1.4158     6.9282     8.6783 
   H  54    2.2901     0.6200    16.1785     1.4158     8.6783     9.7341 
   H  55   15.2605    16.1785     0.6200    16.1284     8.3704     7.1151 
   H  56    1.4158     1.4157    16.1283     0.6200     8.3704     9.8680 

              H  37      H  38      H  39      H  40      H  41      H  42
              ------------------------------------------------------------------
   H  37    0.0000 
   H  38    3.4641     0.0000 
   H  39    5.4400     2.8059     0.0000 
   H  40    3.1864     6.0360     6.9282     0.0000 
   H  41    0.6582     4.1223     6.0360     2.8059     0.0000 
   H  42    1.6200     2.2146     4.7432     4.7432     2.2146     0.0000 
   H  43    4.9340     1.6199     3.2400     7.6484     5.5843     3.4641 
   H  44    6.4759     3.2400     1.6200     8.3705     7.1151     5.4400 
   H  45    3.8242     7.1151     8.3704     1.6200     3.2400     5.4400 
   H  46    2.2146     5.5843     7.6484     3.2400     1.6200     3.4641 
   H  47    8.3705     4.9340     4.7432    10.8857     9.0258     6.9282 
   H  48    7.1151     3.8242     2.2146     9.0258     7.7574     6.0360 
   H  49    4.4292     7.7575     9.0258     2.2146     3.8242     6.0360 
   H  50    5.5843     9.0258    10.8857     4.7432     4.9340     6.9282 
   H  51    9.7341     6.2700     5.4400    12.0430    10.3923     8.3704 
   H  52    8.6783     5.4400     3.4641    10.3923     9.3120     7.6484 
   H  53    6.0359     9.3120    10.3923     3.4641     5.4399     7.6484 
   H  54    6.9282    10.3923    12.0430     5.4400     6.2700     8.3705 
   H  55    9.8680     6.4759     4.9340    11.8230    10.5178     8.6783 
   H  56    7.1150    10.5178    11.8230     4.9340     6.4759     8.6783 

              H  43      H  44      H  45      H  46      H  47      H  48
              ------------------------------------------------------------------
   H  43    0.0000 
   H  44    2.8059     0.0000 
   H  45    8.6783     9.7341     0.0000 
   H  46    6.9282     8.6783     2.8059     0.0000 
   H  47    3.4641     3.1864    12.0430    10.3923     0.0000 
   H  48    3.1864     0.6582    10.3923     9.3120     2.8059     0.0000 
   H  49    9.3120    10.3923     0.6582     3.1864    12.6883    11.0505 
   H  50   10.3923    12.0430     3.1864     3.4641    13.8564    12.6883 
   H  51    4.9340     3.8242    13.2973    11.8231     1.6200     3.2400 
   H  52    4.7431     2.2146    11.8231    10.8857     3.2400     1.6200 
   H  53   10.8856    11.8230     2.2145     4.7431    14.2301    12.4798 
   H  54   11.8230    13.2973     3.8242     4.9340    15.2809    13.9508 
   H  55    5.4400     3.4641    13.1982    12.0430     2.8059     2.8059 
   H  56   12.0429    13.1982     3.4641     5.4399    15.4516    13.8564 

              H  49      H  50      H  51      H  52      H  53      H  54
              ------------------------------------------------------------------
   H  49    0.0000 
   H  50    2.8059     0.0000 
   H  51   13.9508    15.2808     0.0000 
   H  52   12.4798    14.2302     2.8059     0.0000 
   H  53    1.6199     3.2400    15.4516    13.8564     0.0000 
   H  54    3.2400     1.6200    16.6623    15.4517     2.8059     0.0000 
   H  55   13.8564    15.4516     1.6200     1.6199    15.2808    16.7409 
   H  56    2.8059     2.8059    16.7409    15.2808     1.6200     1.6199 

              H  55      H  56
              ----------------------
   H  55    0.0000 
   H  56   16.6623     0.0000 



ATOMIC CHARGES
   O   1   -0.4559036245
   O   2   -0.4559036245
   O   3   -0.4560237289
   O   4   -0.4560237289
   C   5    0.1319257367
   C   6    0.1319257367
   C   7    0.1286669169
   C   8    0.1286669169
   C   9    0.0229929543
   C  10    0.1286647108
   C  11    0.1286647108
   C  12   -0.0190990556
   C  13   -0.0190990556
   C  14   -0.0158609790
   C  15   -0.0158609790
   C  16   -0.0158609790
   C  17   -0.0158609790
   C  18   -0.0548127863
   C  19   -0.0158609883
   C  20   -0.0158609883
   C  21   -0.0158609883
   C  22   -0.0158609883
   C  23    0.1284386469
   C  24    0.1284386469
   C  25   -0.0193309441
   C  26   -0.0193309441
   C  27   -0.0193309441
   C  28   -0.0193309441
   C  29   -0.0582854807
   C  30   -0.0582854807
   C  31   -0.0582854807
   C  32   -0.0582854807
   C  33   -0.0615343482
   C  34   -0.0615343482
   H  35    0.0691198044
   H  36    0.0654223949
   H  37    0.0654223949
   H  38    0.0655338008
   H  39    0.0655338008
   H  40    0.0655338008
   H  41    0.0655338008
   H  42    0.0619840036
   H  43    0.0655338008
   H  44    0.0655338008
   H  45    0.0655338008
   H  46    0.0655338008
   H  47    0.0654194740
   H  48    0.0654194740
   H  49    0.0654194740
   H  50    0.0654194740
   H  51    0.0618710334
   H  52    0.0618710334
   H  53    0.0618710334
   H  54    0.0618710334
   H  55    0.0617609292
   H  56    0.0617609292


BOND ANGLES
   5    1    7  Car   O3  Car    119.998
   6    2    8  Car   O3  Car    120.001
  10    3   23  Car   O3  Car    120.001
  11    4   24  Car   O3  Car    119.998
   1    5    9   O3  Car  Car    120.001
   1    5   12   O3  Car  Car    119.998
   9    5   12  Car  Car  Car    120.001
   2    6    9   O3  Car  Car    120.001
   2    6   13   O3  Car  Car    119.999
   9    6   13  Car  Car  Car    120.001
   1    7   14   O3  Car  Car    120.001
   1    7   15   O3  Car  Car    119.998
  14    7   15  Car  Car  Car    120.001
   2    8   16   O3  Car  Car    119.998
   2    8   17   O3  Car  Car    120.001
  16    8   17  Car  Car  Car    120.001
   5    9    6  Car  Car  Car    120.001
   5    9   35  Car  Car   HC    119.998
   6    9   35  Car  Car   HC    120.002
   3   10   19   O3  Car  Car    120.001
   3   10   20   O3  Car  Car    119.999
  19   10   20  Car  Car  Car    120.001
   4   11   21   O3  Car  Car    119.998
   4   11   22   O3  Car  Car    120.001
  21   11   22  Car  Car  Car    120.001
   5   12   18  Car  Car  Car    119.998
   5   12   36  Car  Car   HC    120.000
  18   12   36  Car  Car   HC    120.002
   6   13   18  Car  Car  Car    120.001
   6   13   37  Car  Car   HC    120.001
  18   13   37  Car  Car   HC    119.998
   7   14   19  Car  Car  Car    119.999
   7   14   38  Car  Car   HC    120.001
  19   14   38  Car  Car   HC    120.001
   7   15   20  Car  Car  Car    120.001
   7   15   39  Car  Car   HC    119.997
  20   15   39  Car  Car   HC    120.002
   8   16   21  Car  Car  Car    119.998
   8   16   40  Car  Car   HC    120.000
  21   16   40  Car  Car   HC    120.002
   8   17   22  Car  Car  Car    120.001
   8   17   41  Car  Car   HC    119.998
  22   17   41  Car  Car   HC    120.002
  12   18   13  Car  Car  Car    119.998
  12   18   42  Car  Car   HC    120.002
  13   18   42  Car  Car   HC    120.000
  10   19   14  Car  Car  Car    120.001
  10   19   43  Car  Car   HC    120.002
  14   19   43  Car  Car   HC    119.998
  10   20   15  Car  Car  Car    119.999
  10   20   44  Car  Car   HC    120.001
  15   20   44  Car  Car   HC    120.001
  11   21   16  Car  Car  Car    119.998
  11   21   45  Car  Car   HC    120.000
  16   21   45  Car  Car   HC    120.002
  11   22   17  Car  Car  Car    120.001
  11   22   46  Car  Car   HC    119.998
  17   22   46  Car  Car   HC    120.002
   3   23   25   O3  Car  Car    119.998
   3   23   26   O3  Car  Car    120.001
  25   23   26  Car  Car  Car    120.001
   4   24   27   O3  Car  Car    120.001
   4   24   28   O3  Car  Car    119.998
  27   24   28  Car  Car  Car    120.001
  23   25   29  Car  Car  Car    119.998
  23   25   47  Car  Car   HC    120.000
  29   25   47  Car  Car   HC    120.002
  23   26   30  Car  Car  Car    120.001
  23   26   48  Car  Car   HC    119.998
  30   26   48  Car  Car   HC    120.002
  24   27   31  Car  Car  Car    119.999
  24   27   49  Car  Car   HC    120.001
  31   27   49  Car  Car   HC    120.001
  24   28   32  Car  Car  Car    120.001
  24   28   50  Car  Car   HC    119.997
  32   28   50  Car  Car   HC    120.002
  25   29   33  Car  Car  Car    119.998
  25   29   51  Car  Car   HC    120.002
  33   29   51  Car  Car   HC    120.000
  26   30   33  Car  Car  Car    120.001
  26   30   52  Car  Car   HC    120.002
  33   30   52  Car  Car   HC    119.998
  27   31   34  Car  Car  Car    120.001
  27   31   53  Car  Car   HC    119.998
  34   31   53  Car  Car   HC    120.002
  28   32   34  Car  Car  Car    119.999
  28   32   54  Car  Car   HC    120.001
  34   32   54  Car  Car   HC    120.001
  29   33   30  Car  Car  Car    120.001
  29   33   55  Car  Car   HC    119.998
  30   33   55  Car  Car   HC    120.001
  31   34   32  Car  Car  Car    120.001
  31   34   56  Car  Car   HC    120.002
  32   34   56  Car  Car   HC    119.998


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