* LIGAND DATABASE FILE (OPLS2005)
*
001      82    83    138    211     402
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02092    77.80399   -86.80293
    3     1 S   H    _H1_     3     1.02104   100.14891    20.33718
    4     1 S   H    _H2_     4     1.02129    37.45379   127.99557
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04724   118.98282     8.58904
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08448   106.40438   -11.12153
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08733   110.25787    59.12705
   26    24 S   HC   HB22    34     1.08755   109.66015   178.75008
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C24    36     1.85638   100.66803   159.98893
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C19    37     1.51991   105.81342   159.98772
   38    37 S   HC   _H38    38     1.09085   114.36484   -90.88094
   39    33 S   CM   _C20    57     1.52519   108.60662   -77.48539
   40    39 S   HC   _H39    58     1.09299   114.03720     1.90855
   41    33 S   OH   _O25    81     1.42843   110.24339    46.29705
   42    41 S   HO   _H48    82     0.97065   108.22980    53.87450
   43    37 S   CM   _C17    39     1.34481   127.46602    89.19427
   44    43 S   HC   _H36    40     1.08356   120.31622     2.41792
   45    39 S   CMA  _C21    59     1.35440   128.65738  -177.61558
   46    45 S   OM   _O22    60     1.26069   132.83814  -178.28081
   47    43 S   CA   _C11    41     1.47233   124.84892  -179.29390
   48    45 S   CM   _C18    61     1.46546   117.47167     0.05595
   49    48 S   HC   _H37    62     1.09122   115.31777     0.73728
   50    47 S   CA   _C5_    42     1.39471   119.96992  -159.99619
   51    50 S   HA   _H30    43     1.08676   120.81061    -0.01978
   52    48 S   CM   _C16    63     1.34644   127.87127   179.97202
   53    52 S   HC   _H35    64     1.08857   118.11383     0.20367
   54    50 S   CA   _C7_    44     1.39475   119.99981   179.88809
   55    54 S   HA   _H32    45     1.08662   119.63289  -180.00000
   56    52 S   CA   _C10    65     1.46921   127.17571   179.95577
   57    54 S   CA   _C13    46     1.39542   119.97740     0.04423
   58    56 S   CA   _C4_    66     1.39517   119.97603  -160.04230
   59    58 S   HA   _H29    67     1.08736   120.80089     0.02798
   60    57 S   CA   _C15    47     1.39471   120.02279    -0.04846
   61    57 S   OH   _O24    55     1.36248   119.40156  -180.00000
   62    61 S   HO   _H47    56     0.97110   110.20574    -0.03956
   63    58 S   CA   _C6_    68     1.39439   119.97848   179.87028
   64    63 S   HA   _H31    69     1.08723   119.61549   179.96044
   65    47 S   CA   _C9_    48     1.39447   120.00874    19.92712
   66    65 S   HA   _H34    49     1.08862   120.52580     0.03956
   67    60 S   OS   _O27    50     1.36159   120.49555  -180.00000
   68    63 S   CA   _C12    70     1.39473   120.01815     0.06853
   69    67 S   CT   _C23    51     1.42648   117.01664  -179.97202
   70    69 S   HC   _H43    52     1.09320   109.53884   179.98022
   71    69 S   HC   _H44    53     1.09281   109.51940    59.17465
   72    69 S   HC   _H45    54     1.09257   108.96717   -60.47875
   73    68 S   CA   _C14    71     1.39418   120.00273    -0.02798
   74    68 S   OH   _O23    79     1.36246   119.38331   179.92087
   75    74 S   HO   _H46    80     0.96959   110.27949     0.08156
   76    56 S   CA   _C8_    72     1.39491   120.00890    19.94142
   77    76 S   HA   _H33    73     1.08786   120.49020    -0.03426
   78    73 S   OS   _O26    74     1.36296   120.49347   179.97202
   79    78 S   CT   _C22    75     1.42575   116.99639   179.96574
   80    79 S   HC   _H40    76     1.09261   109.52018   179.94766
   81    79 S   HC   _H41    77     1.09293   109.56864    59.21149
   82    79 S   HC   _H42    78     1.09218   109.02826   -60.47242
  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
  12   2   1   1  11   5   9   4   3   1   8   3   6   3   9   6
   3   8   4   8   3   7   3   9   7   8   4   9   3   1   7   3
   3   1   4   7   3   2   1   1   9   3   1   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    39    40    45    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    47    39    40    45    46    48    41    42  
   35    36  
   36  
    0  
   38    43    44    47    50    65    39    40    45    41    42  
   43    44    47    39    41  
   40    45    46    48    49    52    41    42    43  
   45    46    48    41  
   42    43    45  
    0  
   44    47    50    51    54    60    65    66  
   47    50    65  
   46    48    49    52    53    56  
   48    49    52  
   50    51    54    55    57    60    65    66    67  
   49    52    53    56    58    76  
   52    53    56  
   51    54    55    57    60    65    66    61  
   54    55    57    65  
   53    56    58    59    63    73    76    77  
   56    58    76  
   55    57    60    65    67    61    62  
   57    60    61  
   58    59    63    64    68    73    76    77    78  
   60    65    66    67    69    61    62  
   59    63    64    68    73    76    77    74  
   63    64    68    76  
   65    66    67    69    70    71    72    61    62  
   62    65    67  
    0  
   64    68    73    76    78    74    75  
   68    73    74  
   66    67    69  
   67  
   69    70    71    72  
   73    76    77    78    79    74    75  
   70    71    72  
   71    72  
   72  
    0  
   76    77    78    79    80    81    82    74    75  
   75    76    78  
    0  
   77    78    79  
   78  
   79    80    81    82  
   80    81    82  
   81    82  
   82  
    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   0.432500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   46   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   47   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   69   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.030000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    39   317.000  1.510
   33    41   320.000  1.410
   37    38   340.000  1.080
   37    43   549.000  1.340
   43    44   340.000  1.080
   43    47   320.000  1.460
   47    50   469.000  1.400
   47    65   469.000  1.400
   50    51   367.000  1.080
   50    54   469.000  1.400
   54    55   367.000  1.080
   54    57   469.000  1.400
   57    60   469.000  1.400
   57    61   450.000  1.364
   60    65   469.000  1.400
   60    67   450.000  1.364
   65    66   367.000  1.080
   67    69   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   61    62   553.000  0.945
   39    40   340.000  1.080
   39    45   465.000  1.376
   45    46   745.000  1.250
   45    48   465.000  1.376
   48    49   340.000  1.080
   48    52   549.000  1.340
   52    53   340.000  1.080
   52    56   320.000  1.460
   56    58   469.000  1.400
   56    76   469.000  1.400
   58    59   367.000  1.080
   58    63   469.000  1.400
   63    64   367.000  1.080
   63    68   469.000  1.400
   68    73   469.000  1.400
   68    74   450.000  1.364
   73    76   469.000  1.400
   73    78   450.000  1.364
   76    77   367.000  1.080
   78    79   320.000  1.410
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   74    75   553.000  0.945
   41    42   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    39    75.00000  112.20000
   29    33    41    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    43    70.00000  124.00000
   33    39    40    35.00000  117.00000
   33    39    45    70.00000  124.00000
   33    41    42    55.00000  108.50000
   37    43    44    35.00000  120.00000
   37    43    47    60.00000  123.20500
   43    37    38    35.00000  120.00000
   43    47    50    60.00000  120.93500
   43    47    65    60.00000  120.93500
   47    43    44    40.00000  117.26300
   47    50    51    35.00000  120.00000
   47    50    54    63.00000  120.00000
   47    65    60    63.00000  120.00000
   47    65    66    35.00000  120.00000
   50    54    55    35.00000  120.00000
   50    54    57    63.00000  120.00000
   54    50    51    35.00000  120.00000
   54    57    60    63.00000  120.00000
   54    57    61    70.00000  120.00000
   57    54    55    35.00000  120.00000
   57    60    65    63.00000  120.00000
   57    60    67    70.00000  120.00000
   57    61    62    35.00000  113.00000
   60    65    66    35.00000  120.00000
   60    67    69    75.00000  111.00000
   65    47    50    63.00000  120.00000
   67    60    65    70.00000  120.00000
   67    69    70    35.00000  109.50000
   67    69    71    35.00000  109.50000
   67    69    72    35.00000  109.50000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   61    57    60    70.00000  120.00000
   39    33    37    70.00000  110.12100
   39    45    46    65.00000  137.10300
   39    45    48    70.00000  123.01800
   45    39    40    40.00000  120.50800
   45    48    49    40.00000  120.50800
   45    48    52    70.00000  117.34000
   48    45    46    65.00000  137.10300
   48    52    53    35.00000  120.00000
   48    52    56    60.00000  123.20500
   52    48    49    35.00000  120.00000
   52    56    58    60.00000  120.93500
   52    56    76    60.00000  120.93500
   56    52    53    40.00000  117.26300
   56    58    59    35.00000  120.00000
   56    58    63    63.00000  120.00000
   56    76    73    63.00000  120.00000
   56    76    77    35.00000  120.00000
   58    63    64    35.00000  120.00000
   58    63    68    63.00000  120.00000
   63    58    59    35.00000  120.00000
   63    68    73    63.00000  120.00000
   63    68    74    70.00000  120.00000
   68    63    64    35.00000  120.00000
   68    73    76    63.00000  120.00000
   68    73    78    70.00000  120.00000
   68    74    75    35.00000  113.00000
   73    76    77    35.00000  120.00000
   73    78    79    75.00000  111.00000
   76    56    58    63.00000  120.00000
   78    73    76    70.00000  120.00000
   78    79    80    35.00000  109.50000
   78    79    81    35.00000  109.50000
   78    79    82    35.00000  109.50000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   74    68    73    70.00000  120.00000
   41    33    37    90.00000  110.39200
   41    33    39    90.00000  110.39200
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   24    29    33    41   0.13850  1.0 1.0
   24    29    33    41  -1.34450 -1.0 2.0
   24    29    33    41   0.57400  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    37    38   0.00000  1.0 1.0
   29    33    37    43   0.42700  1.0 1.0
   29    33    37    43  -0.70350 -1.0 2.0
   29    33    37    43  -0.43150  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    45   0.42700  1.0 1.0
   29    33    39    45  -0.70350 -1.0 2.0
   29    33    39    45  -0.43150  1.0 3.0
   29    33    41    42   0.35600  1.0 1.0
   29    33    41    42  -0.10750 -1.0 2.0
   29    33    41    42  -0.54400  1.0 3.0
   33    37    43    44   7.00000 -1.0 2.0
   33    37    43    47   7.00000 -1.0 2.0
   33    39    45    46   7.00000 -1.0 2.0
   33    39    45    48   7.00000 -1.0 2.0
   37    33    39    40   0.00000  1.0 1.0
   37    33    39    45  -0.28300  1.0 1.0
   37    33    39    45   0.26700 -1.0 2.0
   37    33    39    45  -0.63300  1.0 3.0
   37    33    41    42  -0.07800  1.0 1.0
   37    33    41    42  -0.21500 -1.0 2.0
   37    33    41    42  -0.03150  1.0 3.0
   37    43    47    50   0.15800  1.0 1.0
   37    43    47    50   1.85350 -1.0 2.0
   37    43    47    50  -0.48700  1.0 3.0
   37    43    47    65   0.15800  1.0 1.0
   37    43    47    65   1.85350 -1.0 2.0
   37    43    47    65  -0.48700  1.0 3.0
   38    37    43    44   7.00000 -1.0 2.0
   38    37    43    47   7.00000 -1.0 2.0
   43    47    50    51   3.62500 -1.0 2.0
   43    47    50    54   3.62500 -1.0 2.0
   43    47    65    60   3.62500 -1.0 2.0
   43    47    65    66   3.62500 -1.0 2.0
   44    43    47    50   0.56550  1.0 3.0
   44    43    47    65   0.56550  1.0 3.0
   47    50    54    55   3.62500 -1.0 2.0
   47    50    54    57   3.62500 -1.0 2.0
   50    47    65    60   3.62500 -1.0 2.0
   50    47    65    66   3.62500 -1.0 2.0
   50    54   -57    60   3.62500 -1.0 2.0
   50    54    57    61   3.62500 -1.0 2.0
   51    50    54    55   3.62500 -1.0 2.0
   51    50    54    57   3.62500 -1.0 2.0
   54    57    60    65   3.62500 -1.0 2.0
   54    57    60    67   3.62500 -1.0 2.0
   54    57    61    62   0.84100 -1.0 2.0
   55    54    57    60   3.62500 -1.0 2.0
   55    54    57    61   3.62500 -1.0 2.0
   57    60   -65    47   3.62500 -1.0 2.0
   57    60    65    66   3.62500 -1.0 2.0
   57    60    67    69   1.63200 -1.0 2.0
   60    57    61    62   0.84100 -1.0 2.0
   60    67    69    70   0.08050  1.0 3.0
   60    67    69    71   0.08050  1.0 3.0
   60    67    69    72   0.08050  1.0 3.0
   65    47    50    51   3.62500 -1.0 2.0
   65    47   -50    54   3.62500 -1.0 2.0
   65    60    67    69   1.63200 -1.0 2.0
   67    60    65    47   3.62500 -1.0 2.0
   67    60    65    66   3.62500 -1.0 2.0
   61    57    60    65   3.62500 -1.0 2.0
   61    57    60    67   3.62500 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    43  -0.28300  1.0 1.0
   39    33    37    43   0.26700 -1.0 2.0
   39    33    37    43  -0.63300  1.0 3.0
   39    33    41    42  -0.07800  1.0 1.0
   39    33    41    42  -0.21500 -1.0 2.0
   39    33    41    42  -0.03150  1.0 3.0
   39    45    48    49   7.00000 -1.0 2.0
   39    45    48    52   7.00000 -1.0 2.0
   40    39    45    46   7.00000 -1.0 2.0
   40    39    45    48   7.00000 -1.0 2.0
   45    48    52    53   7.00000 -1.0 2.0
   45    48    52    56   7.00000 -1.0 2.0
   46    45    48    49   7.00000 -1.0 2.0
   46    45    48    52   7.00000 -1.0 2.0
   48    52    56    58   0.15800  1.0 1.0
   48    52    56    58   1.85350 -1.0 2.0
   48    52    56    58  -0.48700  1.0 3.0
   48    52    56    76   0.15800  1.0 1.0
   48    52    56    76   1.85350 -1.0 2.0
   48    52    56    76  -0.48700  1.0 3.0
   49    48    52    53   7.00000 -1.0 2.0
   49    48    52    56   7.00000 -1.0 2.0
   52    56    58    59   3.62500 -1.0 2.0
   52    56    58    63   3.62500 -1.0 2.0
   52    56    76    73   3.62500 -1.0 2.0
   52    56    76    77   3.62500 -1.0 2.0
   53    52    56    58   0.56550  1.0 3.0
   53    52    56    76   0.56550  1.0 3.0
   56    58    63    64   3.62500 -1.0 2.0
   56    58    63    68   3.62500 -1.0 2.0
   58    56    76    73   3.62500 -1.0 2.0
   58    56    76    77   3.62500 -1.0 2.0
   58    63   -68    73   3.62500 -1.0 2.0
   58    63    68    74   3.62500 -1.0 2.0
   59    58    63    64   3.62500 -1.0 2.0
   59    58    63    68   3.62500 -1.0 2.0
   63    68    73    76   3.62500 -1.0 2.0
   63    68    73    78   3.62500 -1.0 2.0
   63    68    74    75   0.84100 -1.0 2.0
   64    63    68    73   3.62500 -1.0 2.0
   64    63    68    74   3.62500 -1.0 2.0
   68    73   -76    56   3.62500 -1.0 2.0
   68    73    76    77   3.62500 -1.0 2.0
   68    73    78    79   1.63200 -1.0 2.0
   73    68    74    75   0.84100 -1.0 2.0
   73    78    79    80   0.08050  1.0 3.0
   73    78    79    81   0.08050  1.0 3.0
   73    78    79    82   0.08050  1.0 3.0
   76    56    58    59   3.62500 -1.0 2.0
   76    56   -58    63   3.62500 -1.0 2.0
   76    73    78    79   1.63200 -1.0 2.0
   78    73    76    56   3.62500 -1.0 2.0
   78    73    76    77   3.62500 -1.0 2.0
   74    68    73    76   3.62500 -1.0 2.0
   74    68    73    78   3.62500 -1.0 2.0
   41    33    37    38   0.00000  1.0 1.0
   41    33    37    43   0.67800  1.0 1.0
   41    33    37    43   0.47050 -1.0 2.0
   41    33    37    43  -0.62500  1.0 3.0
   41    33    39    40   0.00000  1.0 1.0
   41    33    39    45   0.67800  1.0 1.0
   41    33    39    45   0.47050 -1.0 2.0
   41    33    39    45  -0.62500  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
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    43  15.00000 -1.0 2.0
   47    44    43    37  15.00000 -1.0 2.0
   50    65    47    43   4.00000 -1.0 2.0
   54    51    50    47   1.10000 -1.0 2.0
   57    55    54    50   1.10000 -1.0 2.0
   60    61    57    54   4.00000 -1.0 2.0
   65    67    60    57   4.00000 -1.0 2.0
   60    66    65    47   1.10000 -1.0 2.0
   33    40    39    45  15.00000 -1.0 2.0
   48    46    45    39  15.00000 -1.0 2.0
   45    49    48    52  15.00000 -1.0 2.0
   56    53    52    48  15.00000 -1.0 2.0
   58    76    56    52   4.00000 -1.0 2.0
   63    59    58    56   1.10000 -1.0 2.0
   68    64    63    58   1.10000 -1.0 2.0
   73    74    68    63   4.00000 -1.0 2.0
   76    78    73    68   4.00000 -1.0 2.0
   73    77    76    56   1.10000 -1.0 2.0
END
