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BISPHENOL A
BISPHENOL A ID: 318
CAS:80-05-7
Supplier:Aromsyn Co., Ltd.

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SMILES:C(c1ccc(cc1)O)(c1ccc(cc1)O)(C)C	
FORMULA: C15H16O2
MASS: 228.2863
EXACT MASS: 228.1150298
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.3138     0.0000 
   C   3    1.3302     2.0792     0.0000 
   C   4    2.2782     1.3333     3.3485     0.0000 
   C   5    2.2764     1.3029     2.3044     2.2869     0.0000 
   C   6    2.3029     3.3525     1.3371     4.5417     3.6249     0.0000 
   C   7    2.2842     2.3044     1.3030     3.6213     1.7375     2.2895 
   C   8    3.9578     2.6442     4.4813     2.2881     2.2993     5.8179 
   C   9    3.9743     4.4813     2.6442     5.8141     4.0282     2.2865 
   C  10    3.5114     4.3686     2.2988     5.6469     4.3033     1.3269 
   C  11    3.4969     3.6279     2.2766     4.9378     2.9023     2.6405 
   C  12    3.5036     2.3113     4.3812     1.3401     2.6547     5.6634 
   C  13    3.4900     2.2798     3.6347     2.6388     1.3317     4.9484 
   O  14    5.2969     3.9834     5.7802     3.5084     3.5286     7.1168 
   O  15    5.3034     5.7687     3.9733     7.1016     5.1946     3.4992 
   C  16    1.3132     1.8024     2.6326     1.8842     3.0875     3.4075 
   C  17    1.3271     2.6326     1.8024     3.4037     3.5510     1.8872 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    4.0281     0.0000 
   C   9    2.2994     6.2958     0.0000 
   C  10    2.6431     6.5952     1.3071     0.0000 
   C  11    1.3251     5.0916     1.3286     2.2804     0.0000 
   C  12    4.3155     1.3088     6.6075     6.6500     5.5500     0.0000 
   C  13    2.9103     1.3208     5.1000     5.5460     3.8458     2.2829 
   O  14    5.2068     1.3392     7.4105     7.8246     6.1448     2.2798 
   O  15    3.5167     7.3979     1.3291     2.2798     2.3071     7.8246 
   C  16    3.5510     4.0771     5.2698     4.6975     4.8000     3.2210 
   C  17    3.0875     5.2698     4.0771     3.2114     4.0305     4.7088 

              C  13      O  14      O  15      C  16      C  17
              -------------------------------------------------------
   C  13    0.0000 
   O  14    2.3113     0.0000 
   O  15    6.1406     8.4250     0.0000 
   C  16    4.0327     5.3588     6.5977     0.0000 
   C  17    4.8049     6.6074     5.3509     1.7708     0.0000 



ATOMIC CHARGES
   C   1    0.0377311983
   C   2   -0.0188240511
   C   3   -0.0188240511
   C   4   -0.0006951807
   C   5   -0.0006951807
   C   6   -0.0006951807
   C   7   -0.0006951807
   C   8    0.1957255149
   C   9    0.1957255149
   C  10    0.0417153716
   C  11    0.0417153716
   C  12    0.0417153716
   C  13    0.0417153716
   O  14   -0.2865704853
   O  15   -0.2865704853
   C  16    0.0087630404
   C  17    0.0087630404


BOND ANGLES
   2    1    3  Car   C3  Car    103.698
   2    1   16  Car   C3   C3     86.646
   2    1   17  Car   C3   C3    170.883
   3    1   16  Car   C3   C3    169.656
   3    1   17  Car   C3   C3     85.420
  16    1   17   C3   C3   C3     84.237
   1    2    4   C3  Car  Car    118.775
   1    2    5   C3  Car  Car    120.897
   4    2    5  Car  Car  Car    120.328
   1    3    6   C3  Car  Car    119.400
   1    3    7   C3  Car  Car    120.336
   6    3    7  Car  Car  Car    120.264
   2    4   12  Car  Car  Car    119.660
   2    5   13  Car  Car  Car    119.839
   3    6   10  Car  Car  Car    119.288
   3    7   11  Car  Car  Car    120.053
  13    8   14  Car  Car   O3    120.661
  12    8   13  Car  Car  Car    120.492
  12    8   14  Car  Car   O3    118.846
  11    9   15  Car  Car   O3    120.474
  10    9   11  Car  Car  Car    119.807
  10    9   15  Car  Car   O3    119.719
   6   10    9  Car  Car  Car    120.476
   7   11    9  Car  Car  Car    120.112
   4   12    8  Car  Car  Car    119.489
   5   13    8  Car  Car  Car    120.191


TORSION ANGLES
   4    2    1    3    179.974
   4    2    1   16      0.026
   4    2    1   17      0.026
   5    2    1    3      0.026
   5    2    1   16    179.974
   5    2    1   17    179.974
   6    3    1    2    179.974
   6    3    1   16      0.026
   6    3    1   17      0.026
   7    3    1    2      0.026
   7    3    1   16    179.974
   7    3    1   17    179.974
  12    4    2    1    179.974
  12    4    2    5      0.026
  13    5    2    1    179.974
  13    5    2    4      0.026
  10    6    3    1    179.974
  10    6    3    7      0.026
  11    7    3    1    179.974
  11    7    3    6      0.026
  14    8   13    5    179.974
  12    8   13    5      0.026
  15    9   11    7    179.974
  10    9   11    7      0.026
   9   10    6    3      0.026
   9   11    7    3      0.026
   8   12    4    2      0.026
   8   13    5    2      0.026
  11    9   10    6      0.026
  15    9   10    6    179.974
  13    8   12    4      0.026
  14    8   12    4    179.974