* LIGAND DATABASE FILE (OPLS2005)
*
001      92    94    167    248     478
    1     0 S   NP   _N1_     1    28.49401    99.08165   -22.13586
    2     1 S   H    _HN1     2     1.02776   104.57920  -111.37421
    3     1 S   H    _H1_     3     1.02958    61.77738    -8.11842
    4     1 S   H    _H2_     4     1.02836    48.87755   147.41996
    5     1 S   CT   _CA1     5     1.50125   142.58130    78.97569
    6     5 S   HC   _HA1     6     1.09574   105.22346   107.65649
    7     5 S   CO3  _C1_     7     1.53788   112.36734   -12.54924
    8     7 S   O2Z  _O11     8     1.26364   114.99710   -44.00060
    9     7 S   O2Z  _O12     9     1.26236   114.93349   135.13202
   10     5 S   CT   _CB1    10     1.53101   107.42769  -134.42953
   11    10 S   HC   HB11    11     1.09826   109.34470   -50.57849
   12    10 S   HC   HB12    12     1.09817   110.42058    65.98081
   13    10 S   CT   _CG1    13     1.53014   112.66105  -171.65546
   14    13 S   HC   HG11    14     1.09596   110.47693   -64.06734
   15    13 S   HC   HG12    15     1.09655   109.93094    55.12605
   16    13 S   C    _CD1    16     1.51837   112.33789   175.50320
   17    16 S   O    _OE1    17     1.22747   123.29251    -0.36262
   18    16 S   N    _N2_    18     1.38532   111.68342   179.60733
   19    18 S   H    _HN2    19     1.01577   119.06069     4.63899
   20    18 S   CT1  _CA2    20     1.45897   122.96787   178.03606
   21    20 S   HC   _HA2    21     1.09684   109.02815    22.96675
   22    20 S   C    _C2_    22     1.52755   106.23609   -94.66173
   23    22 S   O    _O2_    23     1.23008   122.73241   -38.53538
   24    20 S   CT   _CB2    32     1.53160   112.00969   146.20342
   25    24 S   HC   HB21    33     1.09558   109.81044    52.58634
   26    24 S   HC   HB22    34     1.09489   110.38905   171.74878
   27    22 S   N    _N3_    24     1.38390   112.81148   143.62379
   28    27 S   H    _HN3    25     1.01617   120.38084    -2.18651
   29    24 S   S    _SG2    35     1.82721   110.69055   -68.10951
   30    27 S   CT   _CA3    26     1.45347   122.49905   178.40284
   31    30 S   HC   HA31    27     1.09565   107.38835   -64.50907
   32    30 S   HC   HA32    28     1.09562   108.03551    51.84692
   33    29 S   CT   _C26    36     1.83646    99.89966   162.52162
   34    33 S   HC   _H3_    37     1.09525   106.37960   -50.42800
   35    30 S   CO3  _C3_    29     1.52884   114.35475   173.81417
   36    35 S   O2Z  _O31    30     1.26333   116.08547    -4.67311
   37    35 S   O2Z  _O32    31     1.26442   114.41821   175.44082
   38    33 S   CM   _C15    38     1.53303   111.65486    71.37013
   39    33 S   CT   _C23    89     1.53156   108.61180  -163.90351
   40    39 S   HC   _H49    90     1.09582   112.66348   -57.93483
   41    39 S   HC   _H50    91     1.09553   110.59583  -178.47235
   42    39 S   HC   _H51    92     1.09633   110.88817    62.81456
   43    38 S   CMA  _C16    39     1.36776   122.19884  -112.51905
   44    43 S   OM   _O25    40     1.26889   125.69587     3.77346
   45    38 S   CT   _C22    85     1.51935   115.40241    69.86769
   46    45 S   HC   _H46    86     1.09406   111.06766   -50.04815
   47    45 S   HC   _H47    87     1.09338   113.74113  -169.44697
   48    45 S   HC   _H48    88     1.09466   110.18265    70.20421
   49    43 S   OS   _O30    41     1.41471   111.84864  -177.80198
   50    49 S   CT   _C18    42     1.43001   115.82923   130.98609
   51    50 S   HC   _H38    43     1.09561   113.64871    37.26957
   52    50 S   CA   _C7_    44     1.48843   109.81612   -91.57468
   53    52 S   CA   _C8_    45     1.38541   109.53034   -98.02234
   54    53 S   CA   _C5_    46     1.38295   122.31245   176.01911
   55    54 S   HA   _H34    47     1.08444   121.14810  -179.32391
   56    53 S   OS   _O29    59     1.37008   113.56267    -3.43775
   57    54 S   CA   _C4_    48     1.39793   118.10500     1.02641
   58    57 S   HA   _H33    49     1.08755   119.01034   179.82086
   59    50 S   CT   _C19    60     1.55730   111.02354   160.96540
   60    59 S   HC   _H39    61     1.10178   108.03228  -157.97125
   61    57 S   CA   _C6_    50     1.40583   120.47263    -0.04846
   62    59 S   CT   _C27    62     1.55560   117.52137   -34.79245
   63    52 S   CA   _C9_    51     1.38272   130.97493    79.14925
   64    62 S   CT   _C24    63     1.53524   109.77415   -57.23308
   65    64 S   HC   _H52    64     1.09468   111.69245  -170.54300
   66    64 S   HC   _H53    65     1.09402   111.59138    70.73541
   67    64 S   HC   _H54    66     1.09526   111.21835   -50.85924
   68    62 S   CT   _C25    67     1.53778   109.36183  -178.74368
   69    68 S   HC   _H55    68     1.09484   111.58607   175.70787
   70    68 S   HC   _H56    69     1.09556   111.25497   -65.84131
   71    68 S   HC   _H57    70     1.09513   111.33242    55.55889
   72    62 S   OS   _O33    71     1.45441   106.44363    63.56017
   73    63 S   OS   _O28    52     1.40447   119.15053     4.18825
   74    72 S   CO4  _C17    72     1.35311   122.71002  -176.24011
   75    74 S   O    _O27    73     1.21990   128.09120    -1.46794
   76    73 S   CO4  _C12    53     1.38953   121.58819  -179.46771
   77    76 S   O    _O26    54     1.22615   122.22149   179.84174
   78    74 S   CM   _C14    74     1.48284   107.69698   178.76695
   79    76 S   CM   _C11    55     1.47433   116.81855    -0.25564
   80    79 S   HC   _H36    56     1.08423   117.07089   179.92598
   81    78 S   CM   _C13    75     1.34372   120.05961  -124.97757
   82    81 S   HC   _H37    76     1.08882   118.00019  -178.39966
   83    78 S   CT   _C21    81     1.49822   116.75361    56.34250
   84    83 S   HC   _H43    82     1.09479   110.77554   -67.65731
   85    83 S   HC   _H44    83     1.09505   110.36011    52.46968
   86    83 S   HC   _H45    84     1.09514   111.91129   172.19106
   87    61 S   CM   _C10    57     1.45392   121.76926  -179.97202
   88    87 S   HC   _H35    58     1.08433   119.08268    -0.08847
   89    81 S   CT   _C20    77     1.49526   127.75273     3.37191
   90    89 S   HC   _H40    78     1.09377   109.88460  -111.11427
   91    89 S   HC   _H41    79     1.09410   109.15244   130.32889
   92    89 S   HC   _H42    80     1.09273   113.56278    10.79005
  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   9   5   4   3
  13   7   2   1   1  12   5   2   1   1  10   3   4   2   1   1
   9  14   7  13  11   8   4   8   7   3  13   4   7  12   6   9
   4   3   2   5   3   2   1   5   5   9   3   5   3  10   3   2
   9   5   4   2   1   1   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    49    45    46    47    48    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    49    50    45    46    47    48    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    49    50    51    52    59    45    46    47    48  
   49    50    45  
   46    47    48    49  
   47    48  
   48  
    0  
   50    51    52    53    63    56    59    60    62  
   51    52    53    54    61    63    73    56    59    60    62    64    68    72  
   52    53    63    56    59    60    62  
   53    54    55    57    61    63    73    76    87    56    59    60    62  
   54    55    57    58    61    63    73    56    59    60    62  
   55    57    58    61    63    87    56    59  
   57    58    61    56  
   59    60    62    64    68    72    57    63  
   58    61    63    73    79    87    88  
   61    63    87  
   60    62    64    65    66    67    68    69    70    71    72    74    63  
   62    64    68    72  
   63    73    76    79    80    87    88  
   64    65    66    67    68    69    70    71    72    74    75    78  
   73    76    77    79    87    88  
   65    66    67    68    69    70    71    72    74  
   66    67    68    72  
   67    68    72  
   68    72  
   69    70    71    72    74  
   70    71    72  
   71    72  
   72  
   74    75    78    81    83  
   76    77    79    80    87  
   75    78    81    82    89    83    84    85    86  
   78    81    83  
   77    79    80    87    88  
   79    80    87  
   81    82    89    90    91    92    83    84    85    86  
   80    87    88  
   87    88  
   82    89    90    91    92    83    84    85    86  
   89    90    91    92    83  
   84    85    86    89  
   85    86  
   86  
    0  
   88  
    0  
   90    91    92  
   91    92  
   92  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.8500   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   79   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   88   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    38   317.000  1.510
   33    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    49   440.000  1.360
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   317.000  1.510
   50    59   268.000  1.529
   52    53   469.000  1.400
   52    63   469.000  1.400
   53    54   469.000  1.400
   53    56   450.000  1.364
   54    55   367.000  1.080
   54    57   469.000  1.400
   57    58   367.000  1.080
   57    61   469.000  1.400
   61    63   469.000  1.400
   61    87   320.000  1.460
   63    73   450.000  1.364
   73    76   214.000  1.327
   76    77   570.000  1.229
   76    79   320.000  1.462
   79    80   340.000  1.080
   79    87   549.000  1.340
   87    88   340.000  1.080
   56    59   320.000  1.410
   59    60   340.000  1.090
   59    62   268.000  1.529
   62    64   268.000  1.529
   62    68   268.000  1.529
   62    72   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    74   214.000  1.327
   74    75   570.000  1.229
   74    78   320.000  1.462
   78    81   549.000  1.340
   78    83   317.000  1.510
   81    82   340.000  1.080
   81    89   317.000  1.510
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    49    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    48    35.00000  109.50000
   43    49    50    90.00000  111.18400
   49    43    44    65.00000  121.00000
   49    50    51    35.00000  109.50000
   49    50    52    85.00000  111.85700
   49    50    59    50.00000  109.50000
   50    52    53    70.00000  120.00000
   50    52    63    70.00000  120.00000
   50    59    56    50.00000  109.50000
   50    59    60    37.50000  110.70000
   50    59    62    58.35000  112.70000
   52    50    51    35.00000  109.50000
   52    53    54    63.00000  120.00000
   52    53    56    70.00000  120.00000
   52    63    61    63.00000  120.00000
   52    63    73    70.00000  120.00000
   53    54    55    35.00000  120.00000
   53    54    57    63.00000  120.00000
   53    56    59    75.00000  111.00000
   54    57    58    35.00000  120.00000
   54    57    61    63.00000  120.00000
   57    54    55    35.00000  120.00000
   57    61    63    63.00000  120.00000
   57    61    87    60.00000  120.93500
   61    57    58    35.00000  120.00000
   61    63    73    70.00000  120.00000
   61    87    79    60.00000  123.20500
   61    87    88    40.00000  117.26300
   63    52    53    63.00000  120.00000
   63    73    76    85.00000  115.98000
   73    76    77    83.00000  123.40000
   73    76    79    90.00000  111.29400
   76    79    80    40.00000  117.72500
   76    79    87    65.00000  118.96000
   79    76    77    80.00000  123.72100
   79    87    88    35.00000  120.00000
   87    61    63    60.00000  120.93500
   87    79    80    35.00000  120.00000
   56    53    54    70.00000  120.00000
   56    59    60    35.00000  109.50000
   56    59    62    50.00000  109.50000
   59    50    51    37.50000  110.70000
   59    50    52    70.00000  112.17500
   59    62    64    58.35000  112.70000
   59    62    68    58.35000  112.70000
   59    62    72    50.00000  109.50000
   62    59    60    37.50000  110.70000
   62    64    65    37.50000  110.70000
   62    64    66    37.50000  110.70000
   62    64    67    37.50000  110.70000
   62    68    69    37.50000  110.70000
   62    68    70    37.50000  110.70000
   62    68    71    37.50000  110.70000
   62    72    74    83.00000  116.90000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   68    62    64    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    62    64    50.00000  109.50000
   72    62    68    50.00000  109.50000
   72    74    75    83.00000  123.40000
   72    74    78    90.00000  111.29400
   74    78    81    65.00000  118.96000
   74    78    83    65.00000  116.34900
   78    74    75    80.00000  123.72100
   78    81    82    35.00000  120.00000
   78    81    89    70.00000  124.00000
   78    83    84    35.00000  109.50000
   78    83    85    35.00000  109.50000
   78    83    86    35.00000  109.50000
   81    89    90    35.00000  109.50000
   81    89    91    35.00000  109.50000
   81    89    92    35.00000  109.50000
   89    81    82    35.00000  117.00000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   83    78    81    70.00000  124.00000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   45    38    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    49   7.00000 -1.0 2.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   33    38    45    48   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    49    50  -2.26850  1.0 1.0
   38    43    49    50   3.39050 -1.0 2.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    38    45    48   0.00000  1.0 1.0
   43    49    50    51   0.08050  1.0 3.0
   43    49    50    52  -0.48150  1.0 1.0
   43    49    50    52   0.09250 -1.0 2.0
   43    49    50    52  -0.12850  1.0 3.0
   43    49    50    59  -0.46850  1.0 1.0
   43    49    50    59   0.09300 -1.0 2.0
   43    49    50    59  -0.12850  1.0 3.0
   44    43    49    50   2.00000 -1.0 2.0
   49    50    52    53   0.64500  1.0 1.0
   49    50    52    53   0.14800 -1.0 2.0
   49    50    52    53   0.20650  1.0 3.0
   49    50    52    63   0.64500  1.0 1.0
   49    50    52    63   0.14800 -1.0 2.0
   49    50    52    63   0.20650  1.0 3.0
   49    50    59    56   1.11900  1.0 1.0
   49    50    59    56  -1.16350 -1.0 2.0
   49    50    59    56  -0.34150  1.0 3.0
   49    50    59    60   0.23400  1.0 3.0
   49    50    59    62   0.62750  1.0 1.0
   49    50    59    62  -0.30950 -1.0 2.0
   49    50    59    62   0.27300  1.0 3.0
   50    52    53    54   3.62500 -1.0 2.0
   50    52   -53    56   3.62500 -1.0 2.0
   50    52    63    61   3.62500 -1.0 2.0
   50    52    63    73   3.62500 -1.0 2.0
   50    59    62    64   0.56750  1.0 1.0
   50    59    62    64  -0.07550 -1.0 2.0
   50    59    62    64   0.20000  1.0 3.0
   50    59    62    68   0.56750  1.0 1.0
   50    59    62    68  -0.07550 -1.0 2.0
   50    59    62    68   0.20000  1.0 3.0
   50    59    62    72   0.62750  1.0 1.0
   50    59    62    72  -0.30950 -1.0 2.0
   50    59    62    72   0.27300  1.0 3.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    63   0.00000  1.0 1.0
   51    50    59    56   0.23400  1.0 3.0
   51    50    59    60   0.15000  1.0 3.0
   51    50    59    62   0.15000  1.0 3.0
   52    50   -59    56  -0.64350  1.0 1.0
   52    50   -59    56  -0.04200 -1.0 2.0
   52    50   -59    56   0.19800  1.0 3.0
   52    50    59    60   0.43200  1.0 3.0
   52    50    59    62  -0.03700  1.0 1.0
   52    50    59    62   0.37200 -1.0 2.0
   52    50    59    62  -0.47300  1.0 3.0
   52    53    54    55   3.62500 -1.0 2.0
   52    53    54    57   3.62500 -1.0 2.0
   52    53   -56    59   1.63200 -1.0 2.0
   52    63    73    76   0.01300  1.0 1.0
   52    63    73    76   0.97950 -1.0 2.0
   52    63    73    76  -0.55700  1.0 3.0
   53    52    63    61   3.62500 -1.0 2.0
   53    52    63    73   3.62500 -1.0 2.0
   53    54    57    58   3.62500 -1.0 2.0
   53    54   -57    61   3.62500 -1.0 2.0
   53    56   -59    50  -0.32850  1.0 1.0
   53    56   -59    50  -0.35800 -1.0 2.0
   53    56   -59    50   0.33950  1.0 3.0
   53    56    59    60   0.08050  1.0 3.0
   53    56    59    62  -0.32850  1.0 1.0
   53    56    59    62  -0.35800 -1.0 2.0
   53    56    59    62   0.33950  1.0 3.0
   54    53    56    59   1.63200 -1.0 2.0
   54    57    61    63   3.62500 -1.0 2.0
   54    57    61    87   3.62500 -1.0 2.0
   55    54    57    58   3.62500 -1.0 2.0
   55    54    57    61   3.62500 -1.0 2.0
   57    61   -63    52   3.62500 -1.0 2.0
   57    61    63    73   3.62500 -1.0 2.0
   57    61    87    79   0.15800  1.0 1.0
   57    61    87    79   1.85350 -1.0 2.0
   57    61    87    79  -0.48700  1.0 3.0
   57    61    87    88   0.56550  1.0 3.0
   58    57    61    63   3.62500 -1.0 2.0
   58    57    61    87   3.62500 -1.0 2.0
   61    63    73    76   0.01300  1.0 1.0
   61    63    73    76   0.97950 -1.0 2.0
   61    63    73    76  -0.55700  1.0 3.0
   63    52   -53    54   3.62500 -1.0 2.0
   63    52    53    56   3.62500 -1.0 2.0
   63    61    87    79   0.15800  1.0 1.0
   63    61    87    79   1.85350 -1.0 2.0
   63    61    87    79  -0.48700  1.0 3.0
   63    61    87    88   0.56550  1.0 3.0
   63    73    76    77   3.00000 -1.0 2.0
   63    73   -76    79   2.00000 -1.0 2.0
   73    76    79    80   1.63100 -1.0 2.0
   73    76    79    87  -0.56150  1.0 1.0
   73    76    79    87   2.19150 -1.0 2.0
   76    79   -87    61   7.00000 -1.0 2.0
   76    79    87    88   7.00000 -1.0 2.0
   77    76    79    80   0.00000  1.0 1.0
   77    76    79    87   1.00000 -1.0 2.0
   80    79    87    61   7.00000 -1.0 2.0
   80    79    87    88   7.00000 -1.0 2.0
   87    61    63    52   3.62500 -1.0 2.0
   87    61   -63    73   3.62500 -1.0 2.0
   56    53    54    55   3.62500 -1.0 2.0
   56    53    54    57   3.62500 -1.0 2.0
   56    59    62    64   0.62750  1.0 1.0
   56    59    62    64  -0.30950 -1.0 2.0
   56    59    62    64   0.27300  1.0 3.0
   56    59    62    68   0.62750  1.0 1.0
   56    59    62    68  -0.30950 -1.0 2.0
   56    59    62    68   0.27300  1.0 3.0
   56    59    62    72   1.11900  1.0 1.0
   56    59    62    72  -1.16350 -1.0 2.0
   56    59    62    72  -0.34150  1.0 3.0
   59    50   -52    53   0.04150 -1.0 2.0
   59    50    52    63   0.04150 -1.0 2.0
   59    62    64    65   0.15000  1.0 3.0
   59    62    64    66   0.15000  1.0 3.0
   59    62    64    67   0.15000  1.0 3.0
   59    62    68    69   0.15000  1.0 3.0
   59    62    68    70   0.15000  1.0 3.0
   59    62    68    71   0.15000  1.0 3.0
   59    62    72    74  -0.25900  1.0 1.0
   59    62    72    74  -0.47000 -1.0 2.0
   59    62    72    74   0.11750  1.0 3.0
   60    59    62    64   0.15000  1.0 3.0
   60    59    62    68   0.15000  1.0 3.0
   60    59    62    72   0.23400  1.0 3.0
   62    72    74    75   3.00000 -1.0 2.0
   62    72    74    78   2.00000 -1.0 2.0
   64    62    68    69   0.15000  1.0 3.0
   64    62    68    70   0.15000  1.0 3.0
   64    62    68    71   0.15000  1.0 3.0
   64    62    72    74  -0.25900  1.0 1.0
   64    62    72    74  -0.47000 -1.0 2.0
   64    62    72    74   0.11750  1.0 3.0
   68    62    64    65   0.15000  1.0 3.0
   68    62    64    66   0.15000  1.0 3.0
   68    62    64    67   0.15000  1.0 3.0
   68    62    72    74  -0.25900  1.0 1.0
   68    62    72    74  -0.47000 -1.0 2.0
   68    62    72    74   0.11750  1.0 3.0
   72    62    64    65   0.23400  1.0 3.0
   72    62    64    66   0.23400  1.0 3.0
   72    62    64    67   0.23400  1.0 3.0
   72    62    68    69   0.23400  1.0 3.0
   72    62    68    70   0.23400  1.0 3.0
   72    62    68    71   0.23400  1.0 3.0
   72    74    78    81  -0.56150  1.0 1.0
   72    74    78    81   2.19150 -1.0 2.0
   72    74    78    83  -0.15000  1.0 1.0
   72    74    78    83   0.89550 -1.0 2.0
   72    74    78    83  -0.06900  1.0 3.0
   74    78    81    82   7.00000 -1.0 2.0
   74    78    81    89   7.00000 -1.0 2.0
   74    78    83    84   0.15000  1.0 3.0
   74    78    83    85   0.15000  1.0 3.0
   74    78    83    86   0.15000  1.0 3.0
   75    74    78    81   1.00000 -1.0 2.0
   75    74    78    83  -0.64400  1.0 1.0
   75    74    78    83   0.26850 -1.0 2.0
   78    81    89    90   0.00000  1.0 1.0
   78    81    89    91   0.00000  1.0 1.0
   78    81    89    92   0.00000  1.0 1.0
   81    78    83    84   0.00000  1.0 1.0
   81    78    83    85   0.00000  1.0 1.0
   81    78    83    86   0.00000  1.0 1.0
   82    81    89    90   0.33100  1.0 3.0
   82    81    89    91   0.33100  1.0 3.0
   82    81    89    92   0.33100  1.0 3.0
   83    78    81    82   7.00000 -1.0 2.0
   83    78    81    89   7.00000 -1.0 2.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    49   7.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  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
   37    30    35    36  10.50000 -1.0 2.0
   33    45    38    43  15.00000 -1.0 2.0
   44    49    43    38  15.00000 -1.0 2.0
   53    63    52    50   4.00000 -1.0 2.0
   54    56    53    52   4.00000 -1.0 2.0
   57    55    54    53   1.10000 -1.0 2.0
   61    58    57    54   1.10000 -1.0 2.0
   63    87    61    57   4.00000 -1.0 2.0
   61    73    63    52   4.00000 -1.0 2.0
   73    79    76    77  10.50000 -1.0 2.0
   76    80    79    87   1.10000 -1.0 2.0
   61    88    87    79   1.10000 -1.0 2.0
   72    78    74    75  10.50000 -1.0 2.0
   74    83    78    81  15.00000 -1.0 2.0
   89    82    81    78  15.00000 -1.0 2.0
END
