* LIGAND DATABASE FILE (OPLS2005)
*
001      81    81    146    209     419
    1     0 S   NP   _N1_     1    28.68203    96.62453   -23.52638
    2     1 S   H    _HN1     2     1.02950    74.00142     7.81414
    3     1 S   H    _H1_     3     1.02829    36.20229   163.16235
    4     1 S   H    _H2_     4     1.02784   105.31269   -97.33203
    5     1 S   CT   _CA1     5     1.50113   137.67410   110.74348
    6     5 S   HC   _HA1     6     1.09572   105.20107    89.27247
    7     5 S   CO3  _C1_     7     1.53793   112.45643   -30.97302
    8     7 S   O2Z  _O11     8     1.26373   115.00638   -42.46975
    9     7 S   O2Z  _O12     9     1.26240   114.94962   136.66769
   10     5 S   CT   _CB1    10     1.53080   107.42365  -152.73129
   11    10 S   HC   HB11    11     1.09832   109.39189   -49.63231
   12    10 S   HC   HB12    12     1.09814   110.43543    66.98024
   13    10 S   CT   _CG1    13     1.52988   112.60339  -170.61284
   14    13 S   HC   HG11    14     1.09583   110.61263   -65.18919
   15    13 S   HC   HG12    15     1.09668   109.81041    54.04671
   16    13 S   C    _CD1    16     1.51796   112.24419   174.50709
   17    16 S   O    _OE1    17     1.22727   123.28752     5.93954
   18    16 S   N    _N2_    18     1.38655   111.65470  -174.17991
   19    18 S   H    _HN2    19     1.01577   118.94096     1.86446
   20    18 S   CT1  _CA2    20     1.46194   123.37856   177.96568
   21    20 S   HC   _HA2    21     1.09738   109.38925     1.82199
   22    20 S   C    _C2_    22     1.53539   108.55891  -113.68830
   23    22 S   O    _O2_    23     1.23061   122.29982  -147.39495
   24    20 S   CT   _CB2    32     1.53431   111.65809   123.82859
   25    24 S   HC   HB21    33     1.09519   109.68523    56.20275
   26    24 S   HC   HB22    34     1.09386   109.74577   174.98405
   27    22 S   N    _N3_    24     1.38332   113.67514    39.98430
   28    27 S   H    _HN3    25     1.01592   119.58074    -3.25654
   29    24 S   S    _SG2    35     1.83000   111.22837   -64.06244
   30    27 S   CT   _CA3    26     1.45289   123.19752   177.13577
   31    30 S   HC   HA31    27     1.09550   107.49962   -64.72074
   32    30 S   HC   HA32    28     1.09557   107.99038    51.70992
   33    29 S   CT   _C13    36     1.87110   101.90373  -165.11791
   34    30 S   CO3  _C3_    29     1.52957   114.09922   173.71313
   35    34 S   O2Z  _O31    30     1.26375   116.07386    -0.81733
   36    34 S   O2Z  _O32    31     1.26431   114.41080   179.24879
   37    33 S   CO4  _C7_    37     1.54317   108.36911    64.31182
   38    37 S   O    _O20    38     1.23192   122.94715    27.32969
   39    33 S   CT   _C19    55     1.56313   107.64284  -178.14006
   40    39 S   HC   _H42    56     1.09841   109.26995   177.76550
   41    39 S   HC   _H43    57     1.09404   110.09130    63.43798
   42    37 S   CM   _C5_    39     1.49664   118.19019  -156.88221
   43    39 S   CM   _C8_    58     1.51082   116.22014   -62.93172
   44    43 S   HC   _H24    59     1.08978   114.18512   -69.49636
   45    42 S   CM   _C4_    40     1.33621   121.22629     5.76653
   46    45 S   HC   _H23    41     1.08470   121.27640  -174.98632
   47    42 S   OS   _O21    50     1.38358   118.06924  -168.39264
   48    43 S   CM   _C10    60     1.34801   128.24909   112.94980
   49    45 S   CO4  _C6_    42     1.47870   121.69184     6.84676
   50    49 S   O    _O19    43     1.22870   119.03853  -170.46599
   51    47 S   CT   _C18    51     1.42670   110.57854   -84.87083
   52    51 S   HC   _H39    52     1.09396   107.90413  -178.93522
   53    51 S   HC   _H40    53     1.09480   111.50609    62.50778
   54    51 S   HC   _H41    54     1.09557   110.89153   -60.68639
   55    48 S   CT   _C14    61     1.50440   125.02338    -2.96121
   56    55 S   HC   _H27    62     1.09386   110.51329   114.18150
   57    55 S   HC   _H28    63     1.09537   110.05184  -126.27481
   58    55 S   HC   _H29    64     1.09177   113.61623    -6.78180
   59    48 S   CT   _C21    65     1.51868   119.85007   178.85619
   60    59 S   HC   _H46    66     1.09771   108.58623   132.51991
   61    59 S   HC   _H47    67     1.09843   110.55317    17.52169
   62    33 S   CT   _C12    44     1.55455   110.83113   -56.00293
   63    62 S   HC   _H26    45     1.09833   109.79744    58.35075
   64    59 S   CT   _C20    68     1.53472   113.78781  -105.95370
   65    64 S   HC   _H44    69     1.09324   110.52025   -57.22727
   66    64 S   HC   _H45    70     1.09762   108.30059  -172.21404
   67    62 S   CT   _C17    46     1.53333   115.33615   -62.78025
   68    67 S   HC   _H36    47     1.09475   111.93971   -67.09762
   69    67 S   HC   _H37    48     1.09646   110.21615   174.34379
   70    67 S   HC   _H38    49     1.09322   112.22526    55.24650
   71    64 S   CM   _C9_    71     1.50485   112.41576    69.42864
   72    71 S   HC   _H25    72     1.08979   113.85234    68.02150
   73    71 S   CM   _C11    73     1.34663   128.23113  -112.22305
   74    73 S   CT   _C15    74     1.50603   120.33440  -179.84423
   75    74 S   HC   _H30    75     1.09496   110.23693   120.52760
   76    74 S   HC   _H31    76     1.09511   112.44224     0.42887
   77    74 S   HC   _H32    77     1.09500   110.23682  -119.65540
   78    73 S   CT   _C16    78     1.50225   125.43843     0.80259
   79    78 S   HC   _H33    79     1.09527   110.00290   120.70935
   80    78 S   HC   _H34    80     1.09509   110.04760  -120.03949
   81    78 S   HC   _H35    81     1.09119   113.73354     0.48779
  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  12   5   4   3
  19   2   1   1  14   5  12   5   4  10  11   3   8   4   5  11
   7   3   3   2   1   1   7   3   2   1   8   5   4   5   4   7
   4   3   3   2   1   1  10   3   8   7   3   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    62    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    49    62    63    67    39    40    41    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    45    49    50    62    63    67    68    69    70    47    39    40    41    43    44    48  
   35    36  
   36  
    0  
   38    42    45    46    49    62    63    67    47    51    39    40    41    43  
   42    45    62    47    39  
   40    41    43    44    48    55    59    42    49    62    63    67  
   41    43    44    48    62  
   43    44    48    62  
   45    46    49    50    62    47    51    52    53    54  
   44    48    55    56    57    58    59    60    61    64    62  
   48    55    59  
   46    49    50    62    63    67    47    51  
   49    50    62    47  
   51    52    53    54    49  
   55    56    57    58    59    60    61    64    65    66    71  
   50    62    63    67    68    69    70  
   62    63    67  
   52    53    54  
   53    54  
   54  
    0  
   56    57    58    59    60    61    64  
   57    58    59  
   58    59  
   59  
   60    61    64    65    66    71    72    73  
   61    64    65    66    71  
   64    65    66    71  
   63    67    68    69    70  
   67    68    69    70  
   65    66    71    72    73    74    78  
   66    71    72    73  
   71    72    73  
   68    69    70  
   69    70  
   70  
    0  
   72    73    74    75    76    77    78    79    80    81  
   73    74    78  
   74    75    76    77    78    79    80    81  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.120000   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   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   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  1.522
   33    62   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    42   320.000  1.462
   42    45   549.000  1.340
   42    47   440.000  1.360
   45    46   340.000  1.080
   45    49   320.000  1.462
   49    50   570.000  1.229
   49    62   317.000  1.522
   62    63   340.000  1.090
   62    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   47    51   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    43   317.000  1.510
   43    44   340.000  1.080
   43    48   549.000  1.340
   48    55   317.000  1.510
   48    59   317.000  1.510
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    71   317.000  1.510
   71    72   340.000  1.080
   71    73   549.000  1.340
   73    74   317.000  1.510
   73    78   317.000  1.510
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   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  110.18000
   29    33    62    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    42    65.00000  118.62400
   33    62    49    63.00000  111.10000
   33    62    63    37.50000  110.70000
   33    62    67    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    43    70.00000  112.02700
   37    42    45    65.00000  118.96000
   37    42    47    85.00000  116.28000
   42    37    38    80.00000  123.72100
   42    45    46    35.00000  120.00000
   42    45    49    65.00000  118.96000
   42    47    51    90.00000  111.18400
   45    49    50    80.00000  123.72100
   45    49    62    65.00000  118.62400
   49    45    46    40.00000  117.72500
   49    62    63    35.00000  109.50000
   49    62    67    63.00000  111.10000
   62    33    37    63.00000  111.10000
   62    49    50    80.00000  120.40000
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    70    37.50000  110.70000
   67    62    63    37.50000  110.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   47    42    45    80.00000  120.01400
   47    51    52    35.00000  109.50000
   47    51    53    35.00000  109.50000
   47    51    54    35.00000  109.50000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   39    33    37    63.00000  111.10000
   39    33    62    58.35000  112.70000
   39    43    44    35.00000  117.00000
   39    43    48    70.00000  124.00000
   41    39    40    33.00000  107.80000
   43    39    40    35.00000  109.50000
   43    39    41    35.00000  109.50000
   43    48    55    70.00000  124.00000
   43    48    59    70.00000  124.00000
   48    43    44    35.00000  120.00000
   48    55    56    35.00000  109.50000
   48    55    57    35.00000  109.50000
   48    55    58    35.00000  109.50000
   48    59    60    35.00000  109.50000
   48    59    61    35.00000  109.50000
   48    59    64    70.00000  112.02700
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   59    48    55    65.00000  117.92700
   59    64    65    37.50000  110.70000
   59    64    66    37.50000  110.70000
   59    64    71    70.00000  112.02700
   61    59    60    33.00000  107.80000
   64    59    60    37.50000  110.70000
   64    59    61    37.50000  110.70000
   64    71    72    35.00000  117.00000
   64    71    73    70.00000  124.00000
   66    64    65    33.00000  107.80000
   71    64    65    35.00000  109.50000
   71    64    66    35.00000  109.50000
   71    73    74    70.00000  124.00000
   71    73    78    70.00000  124.00000
   73    71    72    35.00000  120.00000
   73    74    75    35.00000  109.50000
   73    74    76    35.00000  109.50000
   73    74    77    35.00000  109.50000
   73    78    79    35.00000  109.50000
   73    78    80    35.00000  109.50000
   73    78    81    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    73    74    65.00000  117.92700
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    62   0.01700  1.0 1.0
   24    29    33    62  -0.23550 -1.0 2.0
   24    29    33    62   0.21350  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    37    38   0.30150 -1.0 2.0
   29    33    37    42   0.65300  1.0 1.0
   29    33    37    42  -0.03850 -1.0 2.0
   29    33    37    42   0.33900  1.0 3.0
   29    33    62    49   0.56750  1.0 1.0
   29    33    62    49  -0.07550 -1.0 2.0
   29    33    62    49   0.20000  1.0 3.0
   29    33    62    63   0.15000  1.0 3.0
   29    33    62    67   0.44750  1.0 1.0
   29    33    62    67  -0.17800 -1.0 2.0
   29    33    62    67   0.20200  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    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    37    42    45  -0.33500  1.0 1.0
   33    37    42    45   1.06600 -1.0 2.0
   33    37    42    45  -0.14000  1.0 3.0
   33    37    42    47   0.32450 -1.0 2.0
   33    37    42    47   0.17400  1.0 3.0
   33    62    67    68   0.15000  1.0 3.0
   33    62    67    69   0.15000  1.0 3.0
   33    62    67    70   0.15000  1.0 3.0
   33    39    43    44   0.00000  1.0 1.0
   33    39    43    48   0.09850  1.0 1.0
   33    39    43    48   0.15250 -1.0 2.0
   33    39    43    48  -0.50650  1.0 3.0
   37    33    62    49   0.11950  1.0 1.0
   37    33    62    49   0.20300 -1.0 2.0
   37    33    62    49  -0.70800  1.0 3.0
   37    33    62    63  -0.11250  1.0 3.0
   37    33    62    67  -0.95700  1.0 1.0
   37    33    62    67  -0.18200 -1.0 2.0
   37    33    62    67   0.29450  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    39    43  -0.98800  1.0 1.0
   37    33    39    43   0.48800 -1.0 2.0
   37    33    39    43   0.76800  1.0 3.0
   37    42    45    46   7.00000 -1.0 2.0
   37    42   -45    49   7.00000 -1.0 2.0
   37    42    47    51   0.15100 -1.0 2.0
   38    37    42    45   1.00000 -1.0 2.0
   38    37    42    47  -0.11900  1.0 1.0
   38    37    42    47   0.76850 -1.0 2.0
   38    37    42    47   0.14100  1.0 3.0
   42    45    49    50   1.00000 -1.0 2.0
   42    45    49    62  -0.33500  1.0 1.0
   42    45    49    62   1.06600 -1.0 2.0
   42    45    49    62  -0.14000  1.0 3.0
   42    47    51    52   0.08050  1.0 3.0
   42    47    51    53   0.08050  1.0 3.0
   42    47    51    54   0.08050  1.0 3.0
   45    42    47    51  -2.26850  1.0 1.0
   45    42    47    51   3.39050 -1.0 2.0
   45    49   -62    33   0.65300  1.0 1.0
   45    49   -62    33  -0.03850 -1.0 2.0
   45    49   -62    33   0.33900  1.0 3.0
   45    49    62    63   0.00000  1.0 1.0
   45    49    62    67   0.65300  1.0 1.0
   45    49    62    67  -0.03850 -1.0 2.0
   45    49    62    67   0.33900  1.0 3.0
   46    45    49    50   0.00000  1.0 1.0
   46    45    49    62   0.04550  1.0 1.0
   46    45    49    62   0.83000 -1.0 2.0
   46    45    49    62  -0.04000  1.0 3.0
   49    62    67    68  -0.11250  1.0 3.0
   49    62    67    69  -0.11250  1.0 3.0
   49    62    67    70  -0.11250  1.0 3.0
   50    49    62    33   0.30150 -1.0 2.0
   50    49    62    63   0.00000  1.0 1.0
   50    49    62    67   0.30150 -1.0 2.0
   62    33    37    38   0.30150 -1.0 2.0
   62    33   -37    42   0.65300  1.0 1.0
   62    33   -37    42  -0.03850 -1.0 2.0
   62    33   -37    42   0.33900  1.0 3.0
   62    33    39    40   0.15000  1.0 3.0
   62    33    39    41   0.15000  1.0 3.0
   62    33    39    43   0.34400  1.0 1.0
   62    33    39    43   0.09450 -1.0 2.0
   62    33    39    43   0.11100  1.0 3.0
   63    62    67    68   0.15000  1.0 3.0
   63    62    67    69   0.15000  1.0 3.0
   63    62    67    70   0.15000  1.0 3.0
   47    42    45    46   7.00000 -1.0 2.0
   47    42    45    49   7.00000 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    42   0.65300  1.0 1.0
   39    33    37    42  -0.03850 -1.0 2.0
   39    33    37    42   0.33900  1.0 3.0
   39    33    62    49  -0.95700  1.0 1.0
   39    33    62    49  -0.18200 -1.0 2.0
   39    33    62    49   0.29450  1.0 3.0
   39    33    62    63   0.15000  1.0 3.0
   39    33    62    67   0.56750  1.0 1.0
   39    33    62    67  -0.07550 -1.0 2.0
   39    33    62    67   0.20000  1.0 3.0
   39    43    48    55   7.00000 -1.0 2.0
   39    43    48    59   7.00000 -1.0 2.0
   40    39    43    44   0.33100  1.0 3.0
   40    39    43    48   0.00000  1.0 1.0
   41    39    43    44   0.33100  1.0 3.0
   41    39    43    48   0.00000  1.0 1.0
   43    48    55    56   0.00000  1.0 1.0
   43    48    55    57   0.00000  1.0 1.0
   43    48    55    58   0.00000  1.0 1.0
   43    48    59    60   0.00000  1.0 1.0
   43    48    59    61   0.00000  1.0 1.0
   43    48    59    64   0.09850  1.0 1.0
   43    48    59    64   0.15250 -1.0 2.0
   43    48    59    64  -0.50650  1.0 3.0
   44    43    48    55   7.00000 -1.0 2.0
   44    43    48    59   7.00000 -1.0 2.0
   48    59    64    65   0.15000  1.0 3.0
   48    59    64    66   0.15000  1.0 3.0
   48    59    64    71   0.31000  1.0 1.0
   48    59    64    71   0.14700 -1.0 2.0
   48    59    64    71   0.07550  1.0 3.0
   55    48    59    60   0.34800  1.0 3.0
   55    48    59    61   0.34800  1.0 3.0
   55    48    59    64   0.46850  1.0 1.0
   55    48    59    64   0.08550 -1.0 2.0
   55    48    59    64   0.09800  1.0 3.0
   59    48    55    56   0.34800  1.0 3.0
   59    48    55    57   0.34800  1.0 3.0
   59    48    55    58   0.34800  1.0 3.0
   59    64    71    72   0.00000  1.0 1.0
   59    64    71    73   0.09850  1.0 1.0
   59    64    71    73   0.15250 -1.0 2.0
   59    64    71    73  -0.50650  1.0 3.0
   60    59    64    65   0.15000  1.0 3.0
   60    59    64    66   0.15000  1.0 3.0
   60    59    64    71   0.15000  1.0 3.0
   61    59    64    65   0.15000  1.0 3.0
   61    59    64    66   0.15000  1.0 3.0
   61    59    64    71   0.15000  1.0 3.0
   64    71    73    74   7.00000 -1.0 2.0
   64    71    73    78   7.00000 -1.0 2.0
   65    64    71    72   0.33100  1.0 3.0
   65    64    71    73   0.00000  1.0 1.0
   66    64    71    72   0.33100  1.0 3.0
   66    64    71    73   0.00000  1.0 1.0
   71    73    74    75   0.00000  1.0 1.0
   71    73    74    76   0.00000  1.0 1.0
   71    73    74    77   0.00000  1.0 1.0
   71    73    78    79   0.00000  1.0 1.0
   71    73    78    80   0.00000  1.0 1.0
   71    73    78    81   0.00000  1.0 1.0
   72    71    73    74   7.00000 -1.0 2.0
   72    71    73    78   7.00000 -1.0 2.0
   74    73    78    79   0.34800  1.0 3.0
   74    73    78    80   0.34800  1.0 3.0
   74    73    78    81   0.34800  1.0 3.0
   78    73    74    75   0.34800  1.0 3.0
   78    73    74    76   0.34800  1.0 3.0
   78    73    74    77   0.34800  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    42    37    38  10.50000 -1.0 2.0
   37    47    42    45   1.10000 -1.0 2.0
   49    46    45    42   1.10000 -1.0 2.0
   45    62    49    50  10.50000 -1.0 2.0
   39    44    43    48  15.00000 -1.0 2.0
   55    59    48    43  15.00000 -1.0 2.0
   64    72    71    73  15.00000 -1.0 2.0
   74    78    73    71  15.00000 -1.0 2.0
END
