* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    142    218     421
    1     0 S   NP   _N1_     1    28.64015    94.72259   -22.12053
    2     1 S   H    _HN1     2     1.02838    28.79951   159.40068
    3     1 S   H    _H1_     3     1.02779    96.44473   -84.73974
    4     1 S   H    _H2_     4     1.02960    86.52633    23.32175
    5     1 S   CT   _CA1     5     1.50118   138.51268   140.60452
    6     5 S   HC   _HA1     6     1.09575   105.23643    68.74824
    7     5 S   CO3  _C1_     7     1.53781   112.35609   -51.46966
    8     7 S   O2Z  _O11     8     1.26358   115.00396   -44.70574
    9     7 S   O2Z  _O12     9     1.26237   114.91103   134.44833
   10     5 S   CT   _CB1    10     1.53091   107.42781  -173.35737
   11    10 S   HC   HB11    11     1.09826   109.32573   -50.90063
   12    10 S   HC   HB12    12     1.09820   110.41996    65.63730
   13    10 S   CT   _CG1    13     1.53021   112.68755  -172.00557
   14    13 S   HC   HG11    14     1.09596   110.44481   -63.70694
   15    13 S   HC   HG12    15     1.09650   109.99200    55.52812
   16    13 S   C    _CD1    16     1.51816   112.27791   175.86734
   17    16 S   O    _OE1    17     1.22731   123.22793    -2.12560
   18    16 S   N    _N2_    18     1.38626   111.67927   178.07868
   19    18 S   H    _HN2    19     1.01579   119.07820     1.31135
   20    18 S   CT1  _CA2    20     1.46168   123.34572  -179.91844
   21    20 S   HC   _HA2    21     1.09709   109.25831    -6.19606
   22    20 S   C    _C2_    22     1.53349   108.23319  -121.44853
   23    22 S   O    _O2_    23     1.22988   122.44757  -141.70930
   24    20 S   CT   _CB2    32     1.53409   111.69637   115.70335
   25    24 S   HC   HB21    33     1.09540   109.91849    54.11964
   26    24 S   HC   HB22    34     1.09101   109.77732   172.65335
   27    22 S   N    _N3_    24     1.38558   113.22368    45.62859
   28    27 S   H    _HN3    25     1.01498   118.98703    -0.48214
   29    24 S   S    _SG2    35     1.83162   111.05390   -66.15447
   30    27 S   CT   _CA3    26     1.45415   123.20045   174.38539
   31    30 S   HC   HA31    27     1.09537   108.99291    29.12672
   32    30 S   HC   HA32    28     1.09485   107.17789   146.15277
   33    29 S   CT   _C15    36     1.83128   102.95078  -158.48361
   34    30 S   CO3  _C3_    29     1.52980   113.34464   -94.11576
   35    34 S   O2Z  _O31    30     1.26387   115.56326   -39.97543
   36    34 S   O2Z  _O32    31     1.26382   114.87328   141.03634
   37    33 S   CM   _C4_    37     1.51432   113.93691    67.65300
   38    33 S   CT   _C10    55     1.57591   114.38483  -155.01621
   39    38 S   HC   _H25    56     1.09867   106.53766  -174.90253
   40    38 S   HC   _H26    57     1.10257   108.25884    75.35189
   41    37 S   CMA  _C5_    38     1.35470   110.66871  -126.49902
   42    41 S   OM   _O17    39     1.26380   128.52167  -176.23584
   43    37 S   CT   _C12    43     1.53840   126.23367    53.86977
   44    43 S   HC   _H29    44     1.10005   107.93606   158.69753
   45    41 S   OS   _O20    40     1.42015   110.18484     5.52311
   46    43 S   CT   _C14    45     1.53919   114.26122    41.92467
   47    46 S   HC   _H31    46     1.09248   110.61185   -63.65737
   48    43 S   CT   _C18    68     1.55750   114.15122   -85.80307
   49    48 S   HC   _H38    69     1.09338   110.70275    62.32595
   50    48 S   HC   _H39    70     1.09740   109.05191   177.81430
   51    33 S   CO4  _C8_    41     1.52118   108.97533   -41.01872
   52    51 S   O    _O19    42     1.22572   125.73689   -50.83606
   53    46 S   CO4  _C7_    47     1.51896   113.70585    61.23244
   54    53 S   O    _O18    48     1.23054   122.76734    30.21478
   55    46 S   OH   _O22    66     1.42935   111.59417   177.25669
   56    55 S   HO   _H43    67     0.97344   107.75705   -52.27880
   57    48 S   CT   _C19    71     1.53230   114.57341   -62.61647
   58    57 S   HC   _H40    72     1.09602   109.65454   -57.11168
   59    57 S   HC   _H41    73     1.09246   111.11806    61.40001
   60    53 S   CT   _C11    49     1.51029   116.24199  -151.21491
   61    60 S   HC   _H27    50     1.09665   107.27477  -143.94060
   62    60 S   HC   _H28    51     1.09596   108.76553   -28.80313
   63    57 S   CT   _C17    74     1.52208   111.39924  -177.63735
   64    63 S   HC   _H35    75     1.09423   111.10298   -60.07534
   65    63 S   HC   _H36    76     1.09451   110.22704  -179.80923
   66    63 S   HC   _H37    77     1.09463   111.01669    60.49506
   67    60 S   CT   _C13    52     1.52409   111.99626    94.24052
   68    67 S   HC   _H30    53     1.09568   107.39310  -176.12485
   69    67 S   CM   _C6_    54     1.52493   114.97551   -54.23791
   70    67 S   OH   _O21    64     1.42899   110.28826    71.31582
   71    70 S   HO   _H42    65     0.97216   107.91531    51.77217
   72    69 S   CM   _C9_    58     1.35068   121.18188   -97.66179
   73    72 S   HC   _H24    59     1.08724   118.75217  -170.96928
   74    72 S   CT   _C16    60     1.49581   128.02996     8.73302
   75    74 S   HC   _H32    61     1.09397   110.00189  -108.25434
   76    74 S   HC   _H33    62     1.09508   109.29187   133.22077
   77    74 S   HC   _H34    63     1.09232   113.51051    13.94066
  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  11   5   4   3
  16   2   1   1  19  15   5   4   8   3  17   8   2  13   6  11
   5   4   2   1  10   5   2   1   6   5   4   8   5   4   3   2
   1   1   7   4   8   2   1   5   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    51    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    45    51    52    43    69    38    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    45    51    52    43    44    46    67    69    38    39    40    72    48  
   35    36  
   36  
    0  
   41    42    45    51    52    43    44    46    47    53    69    38    39    40    55    48    49    50    57  
   39    40    72    73    74    70    41    43    45    51    52    60    67    68    69  
   40    72    51    67    69  
   72    51    67    69  
   42    45    51    52    43    44    46    48  
   45    51    43  
   44    46    47    53    54    60    55    56    48    49    50    57    58    59    63    45    51  
   46    47    53    55    48    49    50    57  
   51    52  
   47    53    54    60    61    62    67    55    56    48    49    50    57  
   53    54    60    55    56    48  
   49    50    57    58    59    63    64    65    66    53    55  
   50    57    58    59    63  
   57    58    59    63  
   52    69  
    0  
   54    60    61    62    67    68    69    70    55    56  
   60    61    62    67    55  
   56    60  
    0  
   58    59    63    64    65    66  
   59    63    64    65    66  
   63    64    65    66  
   61    62    67    68    69    72    70    71  
   62    67    68    69    70  
   67    68    69    70  
   64    65    66  
   65    66  
   66  
    0  
   68    69    72    73    74    70    71  
   69    72    70    71  
   72    73    74    75    76    77    70    71  
   71    72  
    0  
   73    74    75    76    77  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    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   0.167500   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.8500   0.1400  -0.565000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   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    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    51   317.000  1.522
   33    38   268.000  1.529
   37    41   465.000  1.376
   37    43   317.000  1.510
   41    42   745.000  1.250
   41    45   440.000  1.360
   45    51   214.000  1.327
   51    52   570.000  1.229
   43    44   340.000  1.090
   43    46   268.000  1.529
   43    48   268.000  1.529
   46    47   340.000  1.090
   46    53   317.000  1.522
   46    55   320.000  1.410
   53    54   570.000  1.229
   53    60   317.000  1.522
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    67   268.000  1.529
   67    68   340.000  1.090
   67    69   317.000  1.510
   67    70   320.000  1.410
   69    38   317.000  1.510
   69    72   549.000  1.340
   38    39   340.000  1.090
   38    40   340.000  1.090
   72    73   340.000  1.080
   72    74   317.000  1.510
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   70    71   553.000  0.945
   55    56   553.000  0.945
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   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    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    51    75.00000  110.18000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  124.00000
   33    37    43    65.00000  117.92700
   33    51    45    81.00000  111.40000
   33    51    52    80.00000  120.40000
   33    38    69    70.00000  112.02700
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   37    41    42    65.00000  137.10300
   37    41    45    80.00000  120.01400
   37    43    44    35.00000  109.50000
   37    43    46    70.00000  112.02700
   37    43    48    70.00000  112.02700
   41    45    51    90.00000  114.22900
   45    41    42    65.00000  121.00000
   45    51    52    83.00000  123.40000
   51    33    37    70.00000  109.06800
   43    37    41    70.00000  124.00000
   43    46    47    37.50000  110.70000
   43    46    53    63.00000  111.10000
   43    46    55    50.00000  109.50000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    57    58.35000  112.70000
   46    43    44    37.50000  110.70000
   46    53    54    80.00000  120.40000
   46    53    60    70.00000  116.00000
   46    55    56    55.00000  108.50000
   53    46    47    35.00000  109.50000
   53    60    61    35.00000  109.50000
   53    60    62    35.00000  109.50000
   53    60    67    63.00000  111.10000
   60    53    54    80.00000  120.40000
   60    67    68    37.50000  110.70000
   60    67    69    70.00000  112.02700
   60    67    70    50.00000  109.50000
   62    60    61    33.00000  107.80000
   67    60    61    37.50000  110.70000
   67    60    62    37.50000  110.70000
   67    69    38    65.00000  117.92700
   67    69    72    70.00000  124.00000
   67    70    71    55.00000  108.50000
   69    67    68    35.00000  109.50000
   69    38    39    35.00000  109.50000
   69    38    40    35.00000  109.50000
   69    72    73    35.00000  120.00000
   69    72    74    70.00000  124.00000
   38    33    37    70.00000  112.02700
   38    33    51    63.00000  111.10000
   40    38    39    33.00000  107.80000
   72    69    38    70.00000  124.00000
   72    74    75    35.00000  109.50000
   72    74    76    35.00000  109.50000
   72    74    77    35.00000  109.50000
   74    72    73    35.00000  117.00000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   70    67    68    35.00000  109.50000
   70    67    69    90.00000  110.39200
   55    46    47    35.00000  109.50000
   55    46    53    90.00000  109.61100
   48    43    44    37.50000  110.70000
   48    43    46    58.35000  112.70000
   48    57    58    37.50000  110.70000
   48    57    59    37.50000  110.70000
   48    57    63    58.35000  112.70000
   50    48    49    33.00000  107.80000
   57    48    49    37.50000  110.70000
   57    48    50    37.50000  110.70000
   57    63    64    37.50000  110.70000
   57    63    65    37.50000  110.70000
   57    63    66    37.50000  110.70000
   59    57    58    33.00000  107.80000
   63    57    58    37.50000  110.70000
   63    57    59    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    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    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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   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    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    37    43   0.30250  1.0 1.0
   29    33    37    43  -0.14950 -1.0 2.0
   29    33    37    43   0.36900  1.0 3.0
   29    33    51    45   0.40000  1.0 3.0
   29    33    51    52   0.30150 -1.0 2.0
   29    33    38    69   0.56750  1.0 1.0
   29    33    38    69  -0.07550 -1.0 2.0
   29    33    38    69   0.20000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37   -41    45   7.00000 -1.0 2.0
   33    37    43    44   0.34800  1.0 3.0
   33    37    43    46   0.46850  1.0 1.0
   33    37    43    46   0.08550 -1.0 2.0
   33    37    43    46   0.09800  1.0 3.0
   33    37    43    48   0.46850  1.0 1.0
   33    37    43    48   0.08550 -1.0 2.0
   33    37    43    48   0.09800  1.0 3.0
   37    33   -51    45   0.40000  1.0 3.0
   37    33    51    52   0.30150 -1.0 2.0
   37    33    38    69   0.31000  1.0 1.0
   37    33    38    69   0.14700 -1.0 2.0
   37    33    38    69   0.07550  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    41   -45    51  -1.93650  1.0 1.0
   37    41   -45    51   2.17750 -1.0 2.0
   37    41   -45    51  -0.40250  1.0 3.0
   37    43    46    47   0.15000  1.0 3.0
   37    43    46    53  -0.98800  1.0 1.0
   37    43    46    53   0.48800 -1.0 2.0
   37    43    46    53   0.76800  1.0 3.0
   37    43    46    55   1.05650  1.0 1.0
   37    43    46    55   0.15600 -1.0 2.0
   37    43    46    55   0.53150  1.0 3.0
   37    43    48    49   0.15000  1.0 3.0
   37    43    48    50   0.15000  1.0 3.0
   37    43    48    57   0.34400  1.0 1.0
   37    43    48    57   0.09450 -1.0 2.0
   37    43    48    57   0.11100  1.0 3.0
   41    37    43    44   0.00000  1.0 1.0
   41    37    43    46   0.09850  1.0 1.0
   41    37    43    46   0.15250 -1.0 2.0
   41    37    43    46  -0.50650  1.0 3.0
   41    37    43    48   0.09850  1.0 1.0
   41    37    43    48   0.15250 -1.0 2.0
   41    37    43    48  -0.50650  1.0 3.0
   41    45   -51    33   0.82650  1.0 1.0
   41    45   -51    33   1.69000 -1.0 2.0
   41    45    51    52   3.00000 -1.0 2.0
   42    41    45    51   2.00000 -1.0 2.0
   51    33   -37    41  -0.51250  1.0 1.0
   51    33   -37    41  -0.88800 -1.0 2.0
   51    33   -37    41   0.08850  1.0 3.0
   51    33    37    43   0.17250  1.0 1.0
   51    33    37    43  -0.04100 -1.0 2.0
   51    33    37    43  -0.33850  1.0 3.0
   51    33    38    69  -0.98800  1.0 1.0
   51    33    38    69   0.48800 -1.0 2.0
   51    33    38    69   0.76800  1.0 3.0
   51    33    38    39  -0.11250  1.0 3.0
   51    33    38    40  -0.11250  1.0 3.0
   43    37    41    42   7.00000 -1.0 2.0
   43    37    41    45   7.00000 -1.0 2.0
   43    46    53    54   0.30150 -1.0 2.0
   43    46    53    60   0.60050  1.0 1.0
   43    46    53    60   0.05600 -1.0 2.0
   43    46    53    60   0.26150  1.0 3.0
   43    46    55    56  -0.11600  1.0 1.0
   43    46    55    56  -0.09450 -1.0 2.0
   43    46    55    56   0.21250  1.0 3.0
   43    48    57    58   0.15000  1.0 3.0
   43    48    57    59   0.15000  1.0 3.0
   43    48    57    63   0.56750  1.0 1.0
   43    48    57    63  -0.07550 -1.0 2.0
   43    48    57    63   0.20000  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    53  -0.11250  1.0 3.0
   44    43    46    55   0.23400  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.15000  1.0 3.0
   44    43    48    57   0.15000  1.0 3.0
   46    43    48    49   0.15000  1.0 3.0
   46    43    48    50   0.15000  1.0 3.0
   46    43    48    57   0.56750  1.0 1.0
   46    43    48    57  -0.07550 -1.0 2.0
   46    43    48    57   0.20000  1.0 3.0
   46    53    60    61   0.00000  1.0 1.0
   46    53    60    62   0.00000  1.0 1.0
   46    53    60    67   0.60050  1.0 1.0
   46    53    60    67   0.05600 -1.0 2.0
   46    53    60    67   0.26150  1.0 3.0
   47    46    53    54   0.00000  1.0 1.0
   47    46    53    60   0.00000  1.0 1.0
   47    46    55    56   0.19450  1.0 3.0
   53    46    55    56   0.91850  1.0 1.0
   53    46    55    56   0.57950  1.0 3.0
   53    60    67    68  -0.11250  1.0 3.0
   53    60    67    69  -0.98800  1.0 1.0
   53    60    67    69   0.48800 -1.0 2.0
   53    60    67    69   0.76800  1.0 3.0
   53    60    67    70  -0.09450  1.0 1.0
   53    60    67    70  -1.12950 -1.0 2.0
   53    60    67    70   0.54000  1.0 3.0
   54    53    60    61   0.00000  1.0 1.0
   54    53    60    62   0.00000  1.0 1.0
   54    53    60    67   0.30150 -1.0 2.0
   60    67    69    38   0.46850  1.0 1.0
   60    67    69    38   0.08550 -1.0 2.0
   60    67    69    38   0.09800  1.0 3.0
   60    67    69    72   0.09850  1.0 1.0
   60    67    69    72   0.15250 -1.0 2.0
   60    67    69    72  -0.50650  1.0 3.0
   60    67    70    71  -0.11600  1.0 1.0
   60    67    70    71  -0.09450 -1.0 2.0
   60    67    70    71   0.21250  1.0 3.0
   61    60    67    68   0.15000  1.0 3.0
   61    60    67    69   0.15000  1.0 3.0
   61    60    67    70   0.23400  1.0 3.0
   62    60    67    68   0.15000  1.0 3.0
   62    60    67    69   0.15000  1.0 3.0
   62    60    67    70   0.23400  1.0 3.0
   67    69    38    33   0.46850  1.0 1.0
   67    69    38    33   0.08550 -1.0 2.0
   67    69    38    33   0.09800  1.0 3.0
   67    69    38    39   0.34800  1.0 3.0
   67    69    38    40   0.34800  1.0 3.0
   67    69    72    73   7.00000 -1.0 2.0
   67    69    72    74   7.00000 -1.0 2.0
   68    67    69    38   0.34800  1.0 3.0
   68    67    69    72   0.00000  1.0 1.0
   68    67    70    71   0.19450  1.0 3.0
   69    67    70    71  -0.07800  1.0 1.0
   69    67    70    71  -0.21500 -1.0 2.0
   69    67    70    71  -0.03150  1.0 3.0
   69    72    74    75   0.00000  1.0 1.0
   69    72    74    76   0.00000  1.0 1.0
   69    72    74    77   0.00000  1.0 1.0
   38    33    37    41   0.09850  1.0 1.0
   38    33    37    41   0.15250 -1.0 2.0
   38    33    37    41  -0.50650  1.0 3.0
   38    33    37    43   0.46850  1.0 1.0
   38    33    37    43   0.08550 -1.0 2.0
   38    33    37    43   0.09800  1.0 3.0
   38    33    51    45   0.36750  1.0 3.0
   38    33    51    52   0.30150 -1.0 2.0
   38    69    72    73   7.00000 -1.0 2.0
   38    69    72    74   7.00000 -1.0 2.0
   72    69    38    33   0.09850  1.0 1.0
   72    69    38    33   0.15250 -1.0 2.0
   72    69    38    33  -0.50650  1.0 3.0
   72    69    38    39   0.00000  1.0 1.0
   72    69    38    40   0.00000  1.0 1.0
   73    72    74    75   0.33100  1.0 3.0
   73    72    74    76   0.33100  1.0 3.0
   73    72    74    77   0.33100  1.0 3.0
   70    67    69    38   0.18000  1.0 1.0
   70    67    69    38   0.16450 -1.0 2.0
   70    67    69    38   0.04450  1.0 3.0
   70    67    69    72   0.67800  1.0 1.0
   70    67    69    72   0.47050 -1.0 2.0
   70    67    69    72  -0.62500  1.0 3.0
   55    46    53    54   0.30150 -1.0 2.0
   55    46    53    60   0.55300  1.0 1.0
   55    46    53    60   1.25850 -1.0 2.0
   55    46    53    60  -0.23600  1.0 3.0
   48    43    46    47   0.15000  1.0 3.0
   48    43    46    53  -0.95700  1.0 1.0
   48    43    46    53  -0.18200 -1.0 2.0
   48    43    46    53   0.29450  1.0 3.0
   48    43    46    55   0.86500  1.0 1.0
   48    43    46    55  -0.17500 -1.0 2.0
   48    43    46    55   0.20800  1.0 3.0
   48    57    63    64   0.15000  1.0 3.0
   48    57    63    65   0.15000  1.0 3.0
   48    57    63    66   0.15000  1.0 3.0
   49    48    57    58   0.15000  1.0 3.0
   49    48    57    59   0.15000  1.0 3.0
   49    48    57    63   0.15000  1.0 3.0
   50    48    57    58   0.15000  1.0 3.0
   50    48    57    59   0.15000  1.0 3.0
   50    48    57    63   0.15000  1.0 3.0
   58    57    63    64   0.15000  1.0 3.0
   58    57    63    65   0.15000  1.0 3.0
   58    57    63    66   0.15000  1.0 3.0
   59    57    63    64   0.15000  1.0 3.0
   59    57    63    65   0.15000  1.0 3.0
   59    57    63    66   0.15000  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    43    37    41   1.10000 -1.0 2.0
   42    45    41    37   1.10000 -1.0 2.0
   33    45    51    52  10.50000 -1.0 2.0
   46    60    53    54  10.50000 -1.0 2.0
   67    38    69    72   1.10000 -1.0 2.0
   74    73    72    69   1.10000 -1.0 2.0
END
