* LIGAND DATABASE FILE (OPLS2005)
*
001     119   120    225    336     670
    1     0 S   NP   _N1_     1    30.29272    90.40713   -17.43233
    2     1 S   H    _HN1     2     1.02800    25.76657    51.02193
    3     1 S   H    _H1_     3     1.03005   119.87395   -17.42402
    4     1 S   H    _H2_     4     1.02963   119.14481   118.77825
    5     1 S   CT   _CA1     5     1.50244    85.25271  -130.66905
    6     5 S   HC   _HA1     6     1.09561   105.37840    53.80605
    7     5 S   CO3  _C1_     7     1.53683   112.40805   -66.86073
    8     7 S   O2Z  _O11     8     1.26384   114.94862   -45.21877
    9     7 S   O2Z  _O12     9     1.26211   114.97354   134.04904
   10     5 S   CT   _CB1    10     1.52858   107.16333   171.59192
   11    10 S   HC   HB11    11     1.09697   108.85925   -53.26803
   12    10 S   HC   HB12    12     1.09757   110.20384    62.95375
   13    10 S   CT   _CG1    13     1.52921   113.55376  -174.19421
   14    13 S   HC   HG11    14     1.09556   111.24359   -69.32232
   15    13 S   HC   HG12    15     1.09596   110.67570    50.25600
   16    13 S   C    _CD1    16     1.51475   110.03959   169.69147
   17    16 S   O    _OE1    17     1.22848   121.72005  -104.60144
   18    16 S   N    _N2_    18     1.38417   113.11918    73.85997
   19    18 S   H    _HN2    19     1.01574   119.26760     8.23609
   20    18 S   CT1  _CA2    20     1.45718   122.55087  -177.19760
   21    20 S   HC   _HA2    21     1.09496   108.31352    26.82193
   22    20 S   C    _C2_    22     1.52878   107.56832   -89.97132
   23    22 S   O    _O2_    23     1.22932   122.89387   -28.26545
   24    20 S   CT   _CB2    32     1.53396   112.69363   149.92534
   25    24 S   HC   HB21    33     1.09664   109.62457    64.19903
   26    24 S   HC   HB22    34     1.09572   111.06419  -178.51668
   27    22 S   N    _N3_    24     1.38622   112.33484   154.68973
   28    27 S   H    _HN3    25     1.01487   119.77176     0.69717
   29    24 S   S    _SG2    35     1.82770   114.22073   -55.08271
   30    27 S   CT   _CA3    26     1.45443   122.82175   175.12581
   31    30 S   HC   HA31    27     1.09538   108.94816    30.35351
   32    30 S   HC   HA32    28     1.09478   107.17028   147.51134
   33    29 S   CT   _C30    36     1.83451   100.72575   -70.71622
   34    33 S   HC   _H3_    37     1.09537   107.30570  -101.83688
   35    33 S   HC   _H4_    38     1.09117   108.51905    13.71584
   36    30 S   CO3  _C3_    29     1.53064   113.61281   -92.61517
   37    36 S   O2Z  _O31    30     1.26374   115.84338   -29.83226
   38    36 S   O2Z  _O32    31     1.26413   114.66018   151.01744
   39    33 S   CT   _C21    39     1.55108   112.34947   135.83350
   40    39 S   CO4  _C4_    40     1.55070   109.95875    65.39541
   41    40 S   O    _O28    41     1.23776   119.63832    47.34341
   42    39 S   CT   _C6_    63     1.56365   109.76293  -176.72709
   43    42 S   HC   _H39    64     1.09771   109.17299   -27.32401
   44    42 S   HC   _H40    65     1.09661   108.12127  -140.30386
   45    39 S   OH   _O37   118     1.41424   108.87361   -57.08840
   46    45 S   HO   _H85   119     0.97255   107.85270    41.86091
   47    40 S   CT   _C8_    42     1.54218   121.55754  -133.07569
   48    47 S   HC   _H43    43     1.09494   103.25058  -167.14163
   49    47 S   CT   _C14    44     1.54719   113.58373   -50.64990
   50    49 S   HC   _H49    45     1.09062   109.27389    -8.87485
   51    47 S   CT   _C22   114     1.52782   110.16532    80.66253
   52    51 S   HC   _H56   115     1.09134   112.48055   -67.46696
   53    51 S   HC   _H57   116     1.09413   111.11147   171.53044
   54    51 S   HC   _H58   117     1.09564   110.54033    52.25490
   55    49 S   CT   _C12    46     1.55573   116.65423  -131.31166
   56    55 S   HC   _H47    47     1.10056   104.81821  -166.00258
   57    49 S   OH   _O34   112     1.43598   109.70459   106.57323
   58    57 S   HO   _H82   113     0.97415   106.88271  -160.68211
   59    55 S   CT   _C18    48     1.55225   115.50732    78.78137
   60    59 S   HC   _H53    49     1.09836   108.54863   170.25656
   61    55 S   CT   _C26   108     1.53223   113.21720   -52.39707
   62    61 S   HC   _H68   109     1.09322   112.48981    65.69070
   63    61 S   HC   _H69   110     1.09511   110.80258   -55.17467
   64    61 S   HC   _H70   111     1.09543   110.46046  -174.00148
   65    59 S   OS   _O30    50     1.44714   109.89684    51.29169
   66    59 S   CT   _C27   104     1.52342   116.41962   -69.18653
   67    66 S   HC   _H71   105     1.09364   111.69303    70.82480
   68    66 S   HC   _H72   106     1.09256   112.45628   -53.09785
   69    66 S   HC   _H73   107     1.09657   109.51331  -172.81337
   70    65 S   CO4  _C5_    51     1.36591   118.04721    82.52724
   71    70 S   O    _O29    52     1.22291   125.75366     0.68927
   72    70 S   CT   _C9_    53     1.52437   109.02698  -179.29031
   73    72 S   HC   _H44    54     1.09906   104.28162   -47.06119
   74    72 S   CT   _C15    55     1.56019   109.98489    70.45316
   75    74 S   HC   _H50    56     1.09295   108.90346   -13.55169
   76    72 S   CT   _C23   100     1.53031   110.23499  -161.15641
   77    76 S   HC   _H59   101     1.09384   112.40690   -56.41678
   78    76 S   HC   _H60   102     1.09326   111.76150  -178.20911
   79    76 S   HC   _H61   103     1.09617   110.08335    62.22665
   80    74 S   CT   _C11    57     1.56025   111.11603  -131.10972
   81    80 S   HC   _H46    58     1.09802   108.34840    53.07162
   82    74 S   OS   _O38    76     1.43417   112.76175   106.08065
   83    80 S   CT   _C16    59     1.55564   113.62979   172.81193
   84    83 S   HC   _H51    60     1.09734   107.81232    68.23186
   85    80 S   CT   _C25    72     1.54208   111.76675   -63.46178
   86    85 S   HC   _H65    73     1.09493   111.41188   -60.28920
   87    85 S   HC   _H66    74     1.09492   111.44667   179.28893
   88    85 S   HC   _H67    75     1.09337   111.46689    60.85354
   89    82 S   CO   _C20    77     1.43336   114.28508   -80.04037
   90    89 S   HC   _H55    78     1.09311   109.49941    41.20874
   91    83 S   CT   _C10    61     1.55672   117.29772   -53.60759
   92    91 S   HC   _H45    62     1.09329   107.54021    61.60881
   93    83 S   OH   _O35    70     1.43368   109.00308  -177.44235
   94    93 S   HO   _H83    71     0.97187   108.08263    55.25882
   95    89 S   CT   _C7_    79     1.52760   109.03669   158.25760
   96    95 S   HC   _H41    80     1.09537   109.95227   -51.21836
   97    95 S   HC   _H42    81     1.09780   109.51521  -168.24771
   98    91 S   CT   _C24    66     1.53686   108.65153   177.28661
   99    98 S   HC   _H62    67     1.09483   111.59809    71.93285
  100    98 S   HC   _H63    68     1.09561   110.84612   -48.43901
  101    98 S   HC   _H64    69     1.09201   111.59186  -166.91762
  102    95 S   CT   _C13    82     1.52916   111.91582    71.31750
  103   102 S   HC   _H48    83     1.09803   110.98113   -68.05832
  104   102 S   CT   _C17    84     1.53409   109.26526    52.50246
  105   104 S   HC   _H52    85     1.09714   109.08725    69.37081
  106   102 S   OS   _O39    95     1.43329   110.61131   170.84320
  107   104 S   CT   _C19    86     1.53205   110.74815   -52.22423
  108   107 S   HC   _H54    87     1.09570   109.61173   -66.08126
  109   104 S   OH   _O36    93     1.42748   109.69363  -173.76766
  110   109 S   HO   _H84    94     0.97237   108.08058    58.55382
  111   106 S   CT   _C29    96     1.42097   113.52835    78.26346
  112   111 S   HC   _H77    97     1.09349   108.13096   175.91333
  113   111 S   HC   _H78    98     1.09415   110.68467    57.31173
  114   111 S   HC   _H79    99     1.09294   111.06553   -65.53699
  115    89 S   OS   _O33    88     1.42952   113.67110   -77.56480
  116   107 S   CT   _C28    89     1.52606   111.53014   174.87447
  117   116 S   HC   _H74    90     1.09562   110.92820   -60.39297
  118   116 S   HC   _H75    91     1.09483   110.39561  -178.17297
  119   116 S   HC   _H76    92     1.09383   111.69784    61.08831
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  12   5   4   2   1   1  15  17   6  15   6   5   3   1  13   8
  17   7   5   2   1   1  15   9   3   1  13   7   5   2   1   1
  10   4   2   1   1  11   4  13   8  20   7   5   2   1   1  14
   9  10  13   6   5   2   1   1  12   6   7   5   2   1  11   6
   5   3   2   1   1  14   6  12   7   6   8   6   3   1   3   2
   1   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    42    45  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    47    91    42    43    44    45    46  
   35    39    40    42    45  
   39    40    42    45  
   37    38  
   38  
    0  
   40    41    47    48    49    83    91    92    42    43    44    98    51    45    46  
   41    47    48    49    50    55    91    42    43    44    57    51    52    53    54    45    46  
   47    48    49    42    51    45  
   43    44    98    99   100   101    93    45    46    47    80    83    84    91    92  
   44    98    45    83    91    92  
   98    45    83    91    92  
   46    47    91  
    0  
   48    49    50    55    56    59    61    57    58    51    52    53    54  
   49    50    55    57    51    52    53    54  
   50    55    56    59    60    65    66    61    62    63    64    57    58    51    52    53    54  
   55    56    59    61    57    58    51  
   52    53    54    55    57  
   53    54  
   54  
    0  
   56    59    60    65    70    66    67    68    69    61    62    63    64    57    58  
   59    60    65    66    61    62    63    64    57  
   58    59    61  
    0  
   60    65    70    71    72    66    67    68    69    61    62    63    64  
   65    70    66    67    68    69    61  
   62    63    64    65    66  
   63    64  
   64  
    0  
   70    71    72    73    74    76    66    67    68    69  
   67    68    69    70  
   68    69  
   69  
    0  
   71    72    73    74    75    80    82    76    77    78    79  
   72    73    74    76  
   73    74    75    80    81    83    85    82    89    76    77    78    79  
   74    75    80    82    76    77    78    79  
   75    80    81    83    84    91    93    85    86    87    88    82    89    90    95   115    76    77    78    79  
   80    81    83    85    82    89    76  
   77    78    79    80    82  
   78    79  
   79  
    0  
   81    83    84    91    92    98    93    94    85    86    87    88    82    89  
   83    84    91    93    85    86    87    88    82  
   89    90    95    96    97   102   107   115    83    85  
   84    91    92    98    99   100   101    93    94    85    86    87    88  
   91    92    98    93    94    85  
   86    87    88    91    93  
   87    88  
   88  
    0  
   90    95    96    97   102   103   104   107   108   115   116   106  
   95    96    97   102   107   115  
   92    98    99   100   101    93    94  
   98    99   100   101    93  
   94    98  
    0  
   96    97   102   103   104   105   107   115   109   106   111  
   97   102   103   104   115   106  
  102   103   104   115   106  
   99   100   101  
  100   101  
  101  
    0  
  103   104   105   107   108   115   116   109   110   106   111   112   113   114  
  104   105   107   109   106   111  
  105   107   108   115   116   117   118   119   109   110   106   111  
  107   108   115   116   109   110   106  
  111   112   113   114   107   109  
  108   115   116   117   118   119   109   110  
  115   116   117   118   119   109  
  110   115   116  
    0  
  112   113   114  
  113   114  
  114  
    0  
  116   117   118   119  
  117   118   119  
  118   119  
  119  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   83   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   94   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   95   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
  107   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  109   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  110   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  111   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
  112   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  113   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  114   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  115   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  116   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  117   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  118   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  119   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   317.000  1.522
   39    42   268.000  1.529
   39    45   320.000  1.410
   40    41   570.000  1.229
   40    47   317.000  1.522
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    51   268.000  1.529
   49    50   340.000  1.090
   49    55   268.000  1.529
   49    57   320.000  1.410
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    61   268.000  1.529
   59    60   340.000  1.090
   59    65   320.000  1.410
   59    66   268.000  1.529
   65    70   214.000  1.327
   70    71   570.000  1.229
   70    72   317.000  1.522
   72    73   340.000  1.090
   72    74   268.000  1.529
   72    76   268.000  1.529
   74    75   340.000  1.090
   74    80   268.000  1.529
   74    82   320.000  1.410
   80    81   340.000  1.090
   80    83   268.000  1.529
   80    85   268.000  1.529
   83    84   340.000  1.090
   83    91   268.000  1.529
   83    93   320.000  1.410
   91    92   340.000  1.090
   91    42   268.000  1.529
   91    98   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
   93    94   553.000  0.945
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   82    89   320.000  1.380
   89    90   340.000  1.090
   89    95   250.000  1.527
   89   115   320.000  1.380
   95    96   340.000  1.090
   95    97   340.000  1.090
   95   102   268.000  1.529
  102   103   340.000  1.090
  102   104   268.000  1.529
  102   106   320.000  1.410
  104   105   340.000  1.090
  104   107   268.000  1.529
  104   109   320.000  1.410
  107   108   340.000  1.090
  107   115   320.000  1.410
  107   116   268.000  1.529
  116   117   340.000  1.090
  116   118   340.000  1.090
  116   119   340.000  1.090
  109   110   553.000  0.945
  106   111   320.000  1.410
  111   112   340.000  1.090
  111   113   340.000  1.090
  111   114   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   57    58   553.000  0.945
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   45    46   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    63.00000  111.10000
   33    39    42    58.35000  112.70000
   33    39    45    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    40    41    80.00000  120.40000
   39    40    47    70.00000  116.00000
   39    42    91    58.35000  112.70000
   39    42    43    37.50000  110.70000
   39    42    44    37.50000  110.70000
   39    45    46    55.00000  108.50000
   40    47    48    35.00000  109.50000
   40    47    49    63.00000  111.10000
   40    47    51    63.00000  111.10000
   47    40    41    80.00000  120.40000
   47    49    50    37.50000  110.70000
   47    49    55    58.35000  112.70000
   47    49    57    50.00000  109.50000
   47    51    52    37.50000  110.70000
   47    51    53    37.50000  110.70000
   47    51    54    37.50000  110.70000
   49    47    48    37.50000  110.70000
   49    55    56    37.50000  110.70000
   49    55    59    58.35000  112.70000
   49    55    61    58.35000  112.70000
   49    57    58    55.00000  108.50000
   55    49    50    37.50000  110.70000
   55    59    60    37.50000  110.70000
   55    59    65    50.00000  109.50000
   55    59    66    58.35000  112.70000
   55    61    62    37.50000  110.70000
   55    61    63    37.50000  110.70000
   55    61    64    37.50000  110.70000
   59    55    56    37.50000  110.70000
   59    65    70    83.00000  116.90000
   59    66    67    37.50000  110.70000
   59    66    68    37.50000  110.70000
   59    66    69    37.50000  110.70000
   65    59    60    35.00000  109.50000
   65    70    71    83.00000  123.40000
   65    70    72    81.00000  111.40000
   70    72    73    35.00000  109.50000
   70    72    74    63.00000  111.10000
   70    72    76    63.00000  111.10000
   72    70    71    80.00000  120.40000
   72    74    75    37.50000  110.70000
   72    74    80    58.35000  112.70000
   72    74    82    50.00000  109.50000
   72    76    77    37.50000  110.70000
   72    76    78    37.50000  110.70000
   72    76    79    37.50000  110.70000
   74    72    73    37.50000  110.70000
   74    80    81    37.50000  110.70000
   74    80    83    58.35000  112.70000
   74    80    85    58.35000  112.70000
   74    82    89    60.00000  109.50000
   80    74    75    37.50000  110.70000
   80    83    84    37.50000  110.70000
   80    83    91    58.35000  112.70000
   80    83    93    50.00000  109.50000
   80    85    86    37.50000  110.70000
   80    85    87    37.50000  110.70000
   80    85    88    37.50000  110.70000
   83    80    81    37.50000  110.70000
   83    91    92    37.50000  110.70000
   83    91    42    58.35000  112.70000
   83    91    98    58.35000  112.70000
   83    93    94    55.00000  108.50000
   91    83    84    37.50000  110.70000
   91    42    43    37.50000  110.70000
   91    42    44    37.50000  110.70000
   91    98    99    37.50000  110.70000
   91    98   100    37.50000  110.70000
   91    98   101    37.50000  110.70000
   42    39    40    63.00000  111.10000
   42    91    92    37.50000  110.70000
   44    42    43    33.00000  107.80000
   98    91    92    37.50000  110.70000
   98    91    42    58.35000  112.70000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
   93    83    84    35.00000  109.50000
   93    83    91    50.00000  109.50000
   85    80    81    37.50000  110.70000
   85    80    83    58.35000  112.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   82    74    75    35.00000  109.50000
   82    74    80    50.00000  109.50000
   82    89    90    35.00000  109.50000
   82    89    95    90.00000  108.56700
   82    89   115    92.60000  111.55000
   89    95    96    45.00000  108.72000
   89    95    97    45.00000  108.72000
   89    95   102    75.00000  109.43000
   89   115   107    60.00000  109.50000
   95    89    90    45.00000  112.01100
   95   102   103    37.50000  110.70000
   95   102   104    58.35000  112.70000
   95   102   106    50.00000  109.50000
   97    95    96    33.00000  107.80000
  102    95    96    37.50000  110.70000
  102    95    97    37.50000  110.70000
  102   104   105    37.50000  110.70000
  102   104   107    58.35000  112.70000
  102   104   109    50.00000  109.50000
  102   106   111    60.00000  109.50000
  104   102   103    37.50000  110.70000
  104   107   108    37.50000  110.70000
  104   107   115    50.00000  109.50000
  104   107   116    58.35000  112.70000
  104   109   110    55.00000  108.50000
  107   104   105    37.50000  110.70000
  107   116   117    37.50000  110.70000
  107   116   118    37.50000  110.70000
  107   116   119    37.50000  110.70000
  115    89    90    35.00000  109.50000
  115    89    95    90.00000  108.56700
  115   107   108    35.00000  109.50000
  116   107   108    37.50000  110.70000
  116   107   115    50.00000  109.50000
  118   116   117    33.00000  107.80000
  119   116   117    33.00000  107.80000
  119   116   118    33.00000  107.80000
  109   104   105    35.00000  109.50000
  109   104   107    50.00000  109.50000
  106   102   103    35.00000  109.50000
  106   102   104    50.00000  109.50000
  106   111   112    35.00000  109.50000
  106   111   113    35.00000  109.50000
  106   111   114    35.00000  109.50000
  113   111   112    33.00000  107.80000
  114   111   112    33.00000  107.80000
  114   111   113    33.00000  107.80000
   76    72    73    37.50000  110.70000
   76    72    74    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   66    59    60    37.50000  110.70000
   66    59    65    50.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   61    55    56    37.50000  110.70000
   61    55    59    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   57    49    50    35.00000  109.50000
   57    49    55    50.00000  109.50000
   51    47    48    37.50000  110.70000
   51    47    49    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   45    39    40    90.00000  109.61100
   45    39    42    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
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   82    89    95   102   0.27300  1.0 3.0
   82    89   115   107  -0.81800  1.0 1.0
   89    95   102   103   0.15000  1.0 3.0
   89    95   102   104   3.97050  1.0 1.0
   89    95   102   106   0.62750  1.0 1.0
   89    95   102   106  -0.30950 -1.0 2.0
   89    95   102   106   0.27300  1.0 3.0
   90    89    95    96   0.15000  1.0 3.0
   90    89    95    97   0.15000  1.0 3.0
   90    89    95   102   0.15000  1.0 3.0
   90    89   115   107   0.37050  1.0 3.0
   95    89   115   107   0.06250  1.0 1.0
   95    89   115   107  -0.01100 -1.0 2.0
   95    89   115   107   0.28050  1.0 3.0
   95   102   104   105   0.15000  1.0 3.0
   95   102  -104   107   0.56750  1.0 1.0
   95   102  -104   107  -0.07550 -1.0 2.0
   95   102  -104   107   0.20000  1.0 3.0
   95   102   104   109   0.86500  1.0 1.0
   95   102   104   109  -0.17500 -1.0 2.0
   95   102   104   109   0.20800  1.0 3.0
   95   102   106   111   0.06250  1.0 1.0
   95   102   106   111  -0.01100 -1.0 2.0
   95   102   106   111   0.28050  1.0 3.0
   96    95   102   103   0.15000  1.0 3.0
   96    95   102   104   0.15000  1.0 3.0
   96    95   102   106   0.23400  1.0 3.0
   97    95   102   103   0.15000  1.0 3.0
   97    95   102   104   0.15000  1.0 3.0
   97    95   102   106   0.23400  1.0 3.0
  102   104   107   108   0.15000  1.0 3.0
  102   104   107   115   0.62750  1.0 1.0
  102   104   107   115  -0.30950 -1.0 2.0
  102   104   107   115   0.27300  1.0 3.0
  102   104   107   116   0.56750  1.0 1.0
  102   104   107   116  -0.07550 -1.0 2.0
  102   104   107   116   0.20000  1.0 3.0
  102   104   109   110  -0.11600  1.0 1.0
  102   104   109   110  -0.09450 -1.0 2.0
  102   104   109   110   0.21250  1.0 3.0
  102   106   111   112   0.37050  1.0 3.0
  102   106   111   113   0.37050  1.0 3.0
  102   106   111   114   0.37050  1.0 3.0
  103   102   104   105   0.15000  1.0 3.0
  103   102   104   107   0.15000  1.0 3.0
  103   102   104   109   0.23400  1.0 3.0
  103   102   106   111   0.37050  1.0 3.0
  104   102   106   111   0.06250  1.0 1.0
  104   102   106   111  -0.01100 -1.0 2.0
  104   102   106   111   0.28050  1.0 3.0
  104   107  -115    89   0.06250  1.0 1.0
  104   107  -115    89  -0.01100 -1.0 2.0
  104   107  -115    89   0.28050  1.0 3.0
  104   107   116   117   0.15000  1.0 3.0
  104   107   116   118   0.15000  1.0 3.0
  104   107   116   119   0.15000  1.0 3.0
  105   104   107   108   0.15000  1.0 3.0
  105   104   107   115   0.23400  1.0 3.0
  105   104   107   116   0.15000  1.0 3.0
  105   104   109   110   0.19450  1.0 3.0
  107   104   109   110  -0.11600  1.0 1.0
  107   104   109   110  -0.09450 -1.0 2.0
  107   104   109   110   0.21250  1.0 3.0
  108   107   115    89   0.37050  1.0 3.0
  108   107   116   117   0.15000  1.0 3.0
  108   107   116   118   0.15000  1.0 3.0
  108   107   116   119   0.15000  1.0 3.0
  115    89    95    96   0.23400  1.0 3.0
  115    89    95    97   0.23400  1.0 3.0
  115    89   -95   102   0.62750  1.0 1.0
  115    89   -95   102  -0.30950 -1.0 2.0
  115    89   -95   102   0.27300  1.0 3.0
  115   107   116   117   0.23400  1.0 3.0
  115   107   116   118   0.23400  1.0 3.0
  115   107   116   119   0.23400  1.0 3.0
  116   107   115    89   0.06250  1.0 1.0
  116   107   115    89  -0.01100 -1.0 2.0
  116   107   115    89   0.28050  1.0 3.0
  109   104   107   108   0.23400  1.0 3.0
  109   104   107   115   3.69350  1.0 1.0
  109   104   107   115  -1.82950 -1.0 2.0
  109   104   107   116   0.86500  1.0 1.0
  109   104   107   116  -0.17500 -1.0 2.0
  109   104   107   116   0.20800  1.0 3.0
  106   102   104   105   0.23400  1.0 3.0
  106   102   104   107   0.62750  1.0 1.0
  106   102   104   107  -0.30950 -1.0 2.0
  106   102   104   107   0.27300  1.0 3.0
  106   102   104   109   3.69350  1.0 1.0
  106   102   104   109  -1.82950 -1.0 2.0
   76    72    74    75   0.15000  1.0 3.0
   76    72    74    80   0.56750  1.0 1.0
   76    72    74    80  -0.07550 -1.0 2.0
   76    72    74    80   0.20000  1.0 3.0
   76    72    74    82   0.62750  1.0 1.0
   76    72    74    82  -0.30950 -1.0 2.0
   76    72    74    82   0.27300  1.0 3.0
   66    59    65    70  -0.25900  1.0 1.0
   66    59    65    70  -0.47000 -1.0 2.0
   66    59    65    70   0.11750  1.0 3.0
   61    55    59    60   0.15000  1.0 3.0
   61    55    59    65   0.62750  1.0 1.0
   61    55    59    65  -0.30950 -1.0 2.0
   61    55    59    65   0.27300  1.0 3.0
   61    55    59    66   0.56750  1.0 1.0
   61    55    59    66  -0.07550 -1.0 2.0
   61    55    59    66   0.20000  1.0 3.0
   57    49    55    56   0.23400  1.0 3.0
   57    49    55    59   0.86500  1.0 1.0
   57    49    55    59  -0.17500 -1.0 2.0
   57    49    55    59   0.20800  1.0 3.0
   57    49    55    61   0.86500  1.0 1.0
   57    49    55    61  -0.17500 -1.0 2.0
   57    49    55    61   0.20800  1.0 3.0
   51    47    49    50   0.15000  1.0 3.0
   51    47    49    55   0.56750  1.0 1.0
   51    47    49    55  -0.07550 -1.0 2.0
   51    47    49    55   0.20000  1.0 3.0
   51    47    49    57   0.86500  1.0 1.0
   51    47    49    57  -0.17500 -1.0 2.0
   51    47    49    57   0.20800  1.0 3.0
   45    39    40    41   0.30150 -1.0 2.0
   45    39    40    47   0.55300  1.0 1.0
   45    39    40    47   1.25850 -1.0 2.0
   45    39    40    47  -0.23600  1.0 3.0
   45    39    42    91   0.86500  1.0 1.0
   45    39    42    91  -0.17500 -1.0 2.0
   45    39    42    91   0.20800  1.0 3.0
   45    39    42    43   0.23400  1.0 3.0
   45    39    42    44   0.23400  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   39    47    40    41  10.50000 -1.0 2.0
   65    72    70    71  10.50000 -1.0 2.0
END
