* LIGAND DATABASE FILE (OPLS2005)
*
001      79    81    151    236     440
    1     0 S   NP   _N1_     1    28.73738    95.71594   -24.14536
    2     1 S   H    _HN1     2     1.02783   108.43562   -85.15715
    3     1 S   H    _H1_     3     1.02952    75.13323    19.61057
    4     1 S   H    _H2_     4     1.02828    33.83128  -179.97202
    5     1 S   CT   _CA1     5     1.50110   133.98402   123.80014
    6     5 S   HC   _HA1     6     1.09573   105.21002    88.89393
    7     5 S   CO3  _C1_     7     1.53789   112.41951   -31.34898
    8     7 S   O2Z  _O11     8     1.26370   115.00854   -43.56542
    9     7 S   O2Z  _O12     9     1.26238   114.94169   135.56940
   10     5 S   CT   _CB1    10     1.53081   107.41894  -153.14567
   11    10 S   HC   HB11    11     1.09831   109.37614   -49.99530
   12    10 S   HC   HB12    12     1.09813   110.44513    66.60524
   13    10 S   CT   _CG1    13     1.52986   112.60322  -170.99268
   14    13 S   HC   HG11    14     1.09587   110.59213   -65.00063
   15    13 S   HC   HG12    15     1.09668   109.82947    54.22867
   16    13 S   C    _CD1    16     1.51801   112.25812   174.66204
   17    16 S   O    _OE1    17     1.22727   123.29960     4.88808
   18    16 S   N    _N2_    18     1.38646   111.64144  -175.18029
   19    18 S   H    _HN2    19     1.01587   118.94536     1.80699
   20    18 S   CT1  _CA2    20     1.46211   123.39781   177.94405
   21    20 S   HC   _HA2    21     1.09737   109.39293     0.77884
   22    20 S   C    _C2_    22     1.53535   108.61065  -114.70660
   23    22 S   O    _O2_    23     1.23054   122.28852  -148.36312
   24    20 S   CT   _CB2    32     1.53440   111.47832   122.82290
   25    24 S   HC   HB21    33     1.09459   109.61829    56.34555
   26    24 S   HC   HB22    34     1.09449   109.79446   175.28682
   27    22 S   N    _N3_    24     1.38333   113.67835    39.11888
   28    27 S   H    _HN3    25     1.01595   119.55909    -3.43593
   29    24 S   S    _SG2    35     1.83091   111.13555   -65.43009
   30    27 S   CT   _CA3    26     1.45286   123.19827   177.08093
   31    30 S   HC   HA31    27     1.09550   107.51556   -64.38640
   32    30 S   HC   HA32    28     1.09557   107.97613    52.04687
   33    29 S   CT   _C20    36     1.87428   102.08585   166.81169
   34    30 S   CO3  _C3_    29     1.52954   114.08797   174.03912
   35    34 S   O2Z  _O31    30     1.26375   116.06187    -0.69182
   36    34 S   O2Z  _O32    31     1.26429   114.41362   179.36882
   37    33 S   CO4  _C7_    37     1.53421   105.03888   -64.69538
   38    37 S   O    _O19    38     1.22836   124.41145   119.50174
   39    37 S   HC   _H26    39     1.10473   116.02106   -60.41125
   40    33 S   CT   _C15    40     1.58185   109.59313   177.42147
   41    33 S   CT   _C19    76     1.53981   109.52113    53.46692
   42    41 S   HC   _H42    77     1.09414   112.75401    55.57018
   43    41 S   HC   _H43    78     1.09532   111.25153   176.52408
   44    41 S   HC   _H44    79     1.09573   112.19450   -65.94294
   45    40 S   CO4  _C6_    41     1.53328   109.92940   177.24253
   46    45 S   O    _O18    42     1.23036   122.75022   -69.04859
   47    40 S   CT   _C9_    55     1.55121   113.31232   -56.63746
   48    47 S   HC   _H27    56     1.09919   108.98966    88.67594
   49    47 S   HC   _H28    57     1.09590   109.17799   -26.65760
   50    40 S   OH   _O22    74     1.43639   107.45114    63.20727
   51    50 S   HO   _H45    75     0.96958   109.51655  -174.43204
   52    45 S   CM   _C4_    43     1.47923   118.60343   109.25717
   53    52 S   HC   _H25    44     1.08464   116.70198  -150.27658
   54    52 S   CM   _C5_    45     1.34544   121.13392    30.58438
   55    54 S   C3T  _C10    46     1.47870   120.88952  -176.22151
   56    55 S   HC   _H29    47     1.08641   114.51347    -2.72412
   57    55 S   C3T  _C12    48     1.50332   115.99735   137.46806
   58    57 S   HC   _H31    49     1.08114   118.72637  -135.52839
   59    57 S   CT   _C13    50     1.49830   118.30196    10.41288
   60    59 S   HC   _H32    51     1.09817   106.42827   -83.25901
   61    55 S   O3T  _O21    73     1.43603   124.76097  -154.68142
   62    59 S   CT   _C11    52     1.55509   112.77074    36.46876
   63    62 S   HC   _H30    53     1.10005   105.81669  -170.60598
   64    59 S   OS   _O23    66     1.44171   108.05039   160.29297
   65    54 S   CT   _C14    54     1.54089   120.46476     1.33119
   66    62 S   CT   _C17    62     1.54370   112.39484    78.40718
   67    66 S   HC   _H36    63     1.09165   113.25611   -71.41273
   68    66 S   HC   _H37    64     1.09526   110.61918   167.46944
   69    66 S   HC   _H38    65     1.09479   111.39321    49.99583
   70    64 S   CO4  _C8_    67     1.36297   117.15701   153.44582
   71    70 S   O    _O20    68     1.22314   126.41360    -0.30390
   72    65 S   CT   _C18    58     1.54660   107.81474    78.92234
   73    72 S   HC   _H39    59     1.09543   111.18421  -172.76796
   74    72 S   HC   _H40    60     1.09564   111.60902    66.07860
   75    72 S   HC   _H41    61     1.09438   112.83814   -52.08875
   76    70 S   CT   _C16    69     1.49832   109.49399   179.55457
   77    76 S   HC   _H33    70     1.09292   109.80675   -61.23410
   78    76 S   HC   _H34    71     1.09379   109.36230   179.71745
   79    76 S   HC   _H35    72     1.09289   109.84348    60.67943
  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
  17   2   1   1  10   3   2  17   6   2   1   1  11   5  16   6
   5   3   1   9   3  14  10   5  10   5  14   7   3  12   7   8
   8   4   2   1   1   5   4   3   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    45    47    50    41    42    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    45    46    52    65    47    48    49    50    51    41    42    43    44  
   35    36  
   36  
    0  
   38    39    40    45    47    50    41    42    43    44  
   39    40    41  
   40    41  
   45    46    52    53    54    62    65    47    48    49    72    50    51    41    42    43    44  
   42    43    44    45    47    50  
   43    44  
   44  
    0  
   46    52    53    54    55    65    47    48    49    50    51  
   52    53    54    47    50  
   48    49    72    73    74    75    66    50    51    52    54    55    59    62    63    65  
   49    72    50    54    62    65  
   72    50    54    62    65  
   51    52    65  
    0  
   53    54    55    56    57    62    65    72    61  
   54    55    65  
   55    56    57    58    59    62    63    65    72    73    74    75    66    61  
   56    57    58    59    60    62    65    72    64    61  
   57    58    59    65    61  
   58    59    60    62    63    65    66    64    70    61  
   59    60    62    64    61  
   60    62    63    65    72    66    67    68    69    64    70    71    76    61  
   62    63    65    66    64    70    61  
   62    64    65  
   63    65    72    73    74    75    66    67    68    69    64    70  
   65    72    66    67    68    69    64  
   70    71    76    77    78    79    65    66  
   72    73    74    75    66    67    68    69  
   67    68    69    72  
   68    69  
   69  
    0  
   71    76    77    78    79  
   76    77    78    79  
   73    74    75  
   74    75  
   75  
    0  
   77    78    79  
   78    79  
   79  
    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   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   39   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   2.4200   0.0150   0.060000   1.3810   1.2100   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    40   268.000  1.529
   33    41   268.000  1.529
   37    38   570.000  1.229
   37    39   340.000  1.090
   40    45   317.000  1.522
   40    47   268.000  1.529
   40    50   320.000  1.410
   45    46   570.000  1.229
   45    52   320.000  1.462
   52    53   340.000  1.080
   52    54   549.000  1.340
   54    55   305.000  1.480
   54    65   317.000  1.510
   55    56   340.000  1.088
   55    57   260.000  1.509
   55    61   335.000  1.432
   57    58   340.000  1.088
   57    59   275.000  1.510
   57    61   335.000  1.432
   59    60   340.000  1.090
   59    62   268.000  1.529
   59    64   320.000  1.410
   62    63   340.000  1.090
   62    65   268.000  1.529
   62    66   268.000  1.529
   65    47   268.000  1.529
   65    72   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   64    70   214.000  1.327
   70    71   570.000  1.229
   70    76   317.000  1.522
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   50    51   553.000  0.945
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   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    40    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    39    35.00000  115.00000
   33    40    45    63.00000  111.10000
   33    40    47    58.35000  112.70000
   33    40    50    50.00000  109.50000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   39    37    38    35.00000  123.00000
   40    33    37    63.00000  111.10000
   40    45    46    80.00000  120.40000
   40    45    52    65.00000  118.62400
   40    47    65    58.35000  112.70000
   40    47    48    37.50000  110.70000
   40    47    49    37.50000  110.70000
   40    50    51    55.00000  108.50000
   45    52    53    40.00000  117.72500
   45    52    54    65.00000  118.96000
   52    45    46    80.00000  123.72100
   52    54    55    55.00000  125.06700
   52    54    65    70.00000  124.00000
   54    52    53    35.00000  120.00000
   54    55    56    40.00000  112.45000
   54    55    57    60.00000  120.58800
   54    55    61    85.00000  114.23300
   54    65    62    70.00000  112.02700
   54    65    47    70.00000  112.02700
   54    65    72    70.00000  112.02700
   55    57    58    37.50000  117.20000
   55    57    59    60.00000  120.94000
   55    57    61    15.00000   60.43100
   55    61    57    15.00000   59.14900
   57    55    56    37.50000  117.20000
   57    59    60    45.00000  109.38400
   57    59    62    70.00000  112.37300
   57    59    64    50.00000  109.50000
   59    57    58    40.00000  115.04500
   59    62    63    37.50000  110.70000
   59    62    65    58.35000  112.70000
   59    62    66    58.35000  112.70000
   59    64    70    83.00000  116.90000
   62    59    60    37.50000  110.70000
   62    65    47    58.35000  112.70000
   62    65    72    58.35000  112.70000
   62    66    67    37.50000  110.70000
   62    66    68    37.50000  110.70000
   62    66    69    37.50000  110.70000
   65    54    55    65.00000  117.92700
   65    62    63    37.50000  110.70000
   65    47    48    37.50000  110.70000
   65    47    49    37.50000  110.70000
   65    72    73    37.50000  110.70000
   65    72    74    37.50000  110.70000
   65    72    75    37.50000  110.70000
   47    40    45    63.00000  111.10000
   49    47    48    33.00000  107.80000
   72    65    47    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   66    62    63    37.50000  110.70000
   66    62    65    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   64    59    60    35.00000  109.50000
   64    59    62    50.00000  109.50000
   64    70    71    83.00000  123.40000
   64    70    76    81.00000  111.40000
   70    76    77    35.00000  109.50000
   70    76    78    35.00000  109.50000
   70    76    79    35.00000  109.50000
   76    70    71    80.00000  120.40000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   61    55    56    50.00000  114.27700
   61    55    57    15.00000   60.43100
   61    57    58    50.00000  114.27700
   61    57    59    80.00000  116.47100
   50    40    45    90.00000  109.61100
   50    40    47    50.00000  109.50000
   41    33    37    63.00000  111.10000
   41    33    40    58.35000  112.70000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    39   0.00000  1.0 1.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   29    33    40    47   0.44750  1.0 1.0
   29    33    40    47  -0.17800 -1.0 2.0
   29    33    40    47   0.20200  1.0 3.0
   29    33    40    50   0.56750  1.0 1.0
   29    33    40    50  -0.07550 -1.0 2.0
   29    33    40    50   0.20000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.15000  1.0 3.0
   33    40    45    46   0.30150 -1.0 2.0
   33    40    45    52   0.65300  1.0 1.0
   33    40    45    52  -0.03850 -1.0 2.0
   33    40    45    52   0.33900  1.0 3.0
   33    40    47    65   0.56750  1.0 1.0
   33    40    47    65  -0.07550 -1.0 2.0
   33    40    47    65   0.20000  1.0 3.0
   33    40    47    48   0.15000  1.0 3.0
   33    40    47    49   0.15000  1.0 3.0
   33    40    50    51  -0.11600  1.0 1.0
   33    40    50    51  -0.09450 -1.0 2.0
   33    40    50    51   0.21250  1.0 3.0
   37    33    40    45   0.11950  1.0 1.0
   37    33    40    45   0.20300 -1.0 2.0
   37    33    40    45  -0.70800  1.0 3.0
   37    33    40    47  -0.95700  1.0 1.0
   37    33    40    47  -0.18200 -1.0 2.0
   37    33    40    47   0.29450  1.0 3.0
   37    33    40    50  -0.09450  1.0 1.0
   37    33    40    50  -1.12950 -1.0 2.0
   37    33    40    50   0.54000  1.0 3.0
   37    33    41    42  -0.11250  1.0 3.0
   37    33    41    43  -0.11250  1.0 3.0
   37    33    41    44  -0.11250  1.0 3.0
   40    33    37    38   0.30150 -1.0 2.0
   40    33    37    39   0.74550  1.0 1.0
   40    33    37    39  -0.00500 -1.0 2.0
   40    33    41    42   0.15000  1.0 3.0
   40    33    41    43   0.15000  1.0 3.0
   40    33    41    44   0.15000  1.0 3.0
   40    45    52    53   0.04550  1.0 1.0
   40    45    52    53   0.83000 -1.0 2.0
   40    45    52    53  -0.04000  1.0 3.0
   40    45    52    54  -0.33500  1.0 1.0
   40    45    52    54   1.06600 -1.0 2.0
   40    45    52    54  -0.14000  1.0 3.0
   45    40    47    65  -0.95700  1.0 1.0
   45    40    47    65  -0.18200 -1.0 2.0
   45    40    47    65   0.29450  1.0 3.0
   45    40    47    48  -0.11250  1.0 3.0
   45    40    47    49  -0.11250  1.0 3.0
   45    40    50    51   0.91850  1.0 1.0
   45    40    50    51   0.57950  1.0 3.0
   45    52    54    55   7.00000 -1.0 2.0
   45    52   -54    65   7.00000 -1.0 2.0
   46    45    52    53   0.00000  1.0 1.0
   46    45    52    54   1.00000 -1.0 2.0
   52    54    55    56   0.00000  1.0 1.0
   52    54    55    57   0.09850  1.0 1.0
   52    54    55    57   0.15250 -1.0 2.0
   52    54    55    57  -0.50650  1.0 3.0
   52    54    55    61   0.39000  1.0 1.0
   52    54    55    61  -0.05800 -1.0 2.0
   52    54    55    61  -0.55150  1.0 3.0
   52    54    65    62   0.09850  1.0 1.0
   52    54    65    62   0.15250 -1.0 2.0
   52    54    65    62  -0.50650  1.0 3.0
   52    54    65    47   0.09850  1.0 1.0
   52    54    65    47   0.15250 -1.0 2.0
   52    54    65    47  -0.50650  1.0 3.0
   52    54    65    72   0.09850  1.0 1.0
   52    54    65    72   0.15250 -1.0 2.0
   52    54    65    72  -0.50650  1.0 3.0
   53    52    54    55   7.00000 -1.0 2.0
   53    52    54    65   7.00000 -1.0 2.0
   54    55    57    58   0.15000  1.0 3.0
   54    55    57    59   0.34400  1.0 1.0
   54    55    57    59   0.09450 -1.0 2.0
   54    55    57    59   0.11100  1.0 3.0
   54    55   -57    61   0.61850  1.0 1.0
   54    55   -57    61  -0.22750 -1.0 2.0
   54    55   -57    61   0.15300  1.0 3.0
   54    55   -61    57  -0.77900  1.0 1.0
   54    55   -61    57  -0.36900 -1.0 2.0
   54    55   -61    57   0.40400  1.0 3.0
   54    65   -47    40   0.34400  1.0 1.0
   54    65   -47    40   0.09450 -1.0 2.0
   54    65   -47    40   0.11100  1.0 3.0
   54    65    47    48   0.15000  1.0 3.0
   54    65    47    49   0.15000  1.0 3.0
   54    65    72    73   0.15000  1.0 3.0
   54    65    72    74   0.15000  1.0 3.0
   54    65    72    75   0.15000  1.0 3.0
   55    54    65    62   0.46850  1.0 1.0
   55    54    65    62   0.08550 -1.0 2.0
   55    54    65    62   0.09800  1.0 3.0
   55    54    65    47   0.46850  1.0 1.0
   55    54    65    47   0.08550 -1.0 2.0
   55    54    65    47   0.09800  1.0 3.0
   55    54    65    72   0.46850  1.0 1.0
   55    54    65    72   0.08550 -1.0 2.0
   55    54    65    72   0.09800  1.0 3.0
   55    57    59    60   0.15000  1.0 3.0
   55    57   -59    62   0.07850  1.0 1.0
   55    57   -59    62  -0.03950 -1.0 2.0
   55    57   -59    62   0.67350  1.0 3.0
   55    57    59    64  -0.26800  1.0 1.0
   55    57    59    64   0.69150 -1.0 2.0
   55    57    59    64  -0.48750  1.0 3.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    59   0.15000  1.0 3.0
   56    55   -57    61   0.23400  1.0 3.0
   56    55   -61    57   0.36800  1.0 3.0
   57    59    62    63   0.15000  1.0 3.0
   57    59    62    65   0.47050  1.0 1.0
   57    59    62    65   0.03900 -1.0 2.0
   57    59    62    65   0.20100  1.0 3.0
   57    59    62    66   0.47050  1.0 1.0
   57    59    62    66   0.03900 -1.0 2.0
   57    59    62    66   0.20100  1.0 3.0
   57    59    64    70  -0.25900  1.0 1.0
   57    59    64    70  -0.47000 -1.0 2.0
   57    59    64    70   0.11750  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    62   0.15000  1.0 3.0
   58    57    59    64   0.23400  1.0 3.0
   58    57   -61    55   0.36800  1.0 3.0
   59    57   -61    55   0.06250  1.0 1.0
   59    57   -61    55  -0.01100 -1.0 2.0
   59    57   -61    55   0.28050  1.0 3.0
   59    62   -65    54   0.34400  1.0 1.0
   59    62   -65    54   0.09450 -1.0 2.0
   59    62   -65    54   0.11100  1.0 3.0
   59    62    65    47   0.56750  1.0 1.0
   59    62    65    47  -0.07550 -1.0 2.0
   59    62    65    47   0.20000  1.0 3.0
   59    62    65    72   0.56750  1.0 1.0
   59    62    65    72  -0.07550 -1.0 2.0
   59    62    65    72   0.20000  1.0 3.0
   59    62    66    67   0.15000  1.0 3.0
   59    62    66    68   0.15000  1.0 3.0
   59    62    66    69   0.15000  1.0 3.0
   59    64    70    71   3.00000 -1.0 2.0
   59    64    70    76   1.63150  1.0 1.0
   59    64    70    76   2.92000 -1.0 2.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    65   0.15000  1.0 3.0
   60    59    62    66   0.15000  1.0 3.0
   60    59    64    70   0.08050  1.0 3.0
   62    59    64    70  -0.25900  1.0 1.0
   62    59    64    70  -0.47000 -1.0 2.0
   62    59    64    70   0.11750  1.0 3.0
   62    65    47    40   0.56750  1.0 1.0
   62    65    47    40  -0.07550 -1.0 2.0
   62    65    47    40   0.20000  1.0 3.0
   62    65    47    48   0.15000  1.0 3.0
   62    65    47    49   0.15000  1.0 3.0
   62    65    72    73   0.15000  1.0 3.0
   62    65    72    74   0.15000  1.0 3.0
   62    65    72    75   0.15000  1.0 3.0
   63    62    65    54   0.15000  1.0 3.0
   63    62    65    47   0.15000  1.0 3.0
   63    62    65    72   0.15000  1.0 3.0
   63    62    66    67   0.15000  1.0 3.0
   63    62    66    68   0.15000  1.0 3.0
   63    62    66    69   0.15000  1.0 3.0
   65    54    55    56   0.34800  1.0 3.0
   65    54   -55    57   0.46850  1.0 1.0
   65    54   -55    57   0.08550 -1.0 2.0
   65    54   -55    57   0.09800  1.0 3.0
   65    54    55    61   0.09700  1.0 1.0
   65    54    55    61   0.15600 -1.0 2.0
   65    54    55    61  -0.50800  1.0 3.0
   65    62    66    67   0.15000  1.0 3.0
   65    62    66    68   0.15000  1.0 3.0
   65    62    66    69   0.15000  1.0 3.0
   47    40    45    46   0.30150 -1.0 2.0
   47    40   -45    52   0.65300  1.0 1.0
   47    40   -45    52  -0.03850 -1.0 2.0
   47    40   -45    52   0.33900  1.0 3.0
   47    40    50    51  -0.11600  1.0 1.0
   47    40    50    51  -0.09450 -1.0 2.0
   47    40    50    51   0.21250  1.0 3.0
   47    65    72    73   0.15000  1.0 3.0
   47    65    72    74   0.15000  1.0 3.0
   47    65    72    75   0.15000  1.0 3.0
   72    65    47    40   0.56750  1.0 1.0
   72    65    47    40  -0.07550 -1.0 2.0
   72    65    47    40   0.20000  1.0 3.0
   72    65    47    48   0.15000  1.0 3.0
   72    65    47    49   0.15000  1.0 3.0
   66    62    65    54   0.34400  1.0 1.0
   66    62    65    54   0.09450 -1.0 2.0
   66    62    65    54   0.11100  1.0 3.0
   66    62    65    47   0.56750  1.0 1.0
   66    62    65    47  -0.07550 -1.0 2.0
   66    62    65    47   0.20000  1.0 3.0
   66    62    65    72   0.56750  1.0 1.0
   66    62    65    72  -0.07550 -1.0 2.0
   66    62    65    72   0.20000  1.0 3.0
   64    59    62    63   0.23400  1.0 3.0
   64    59    62    65   0.62750  1.0 1.0
   64    59    62    65  -0.30950 -1.0 2.0
   64    59    62    65   0.27300  1.0 3.0
   64    59    62    66   0.62750  1.0 1.0
   64    59    62    66  -0.30950 -1.0 2.0
   64    59    62    66   0.27300  1.0 3.0
   64    70    76    77   0.00000  1.0 1.0
   64    70    76    78   0.00000  1.0 1.0
   64    70    76    79   0.00000  1.0 1.0
   71    70    76    77   0.00000  1.0 1.0
   71    70    76    78   0.00000  1.0 1.0
   71    70    76    79   0.00000  1.0 1.0
   61    55   -57    58   0.23400  1.0 3.0
   61    55   -57    59   0.02550  1.0 1.0
   61    55   -57    59  -0.02600 -1.0 2.0
   61    55   -57    59   1.20400  1.0 3.0
   61    57    59    60   0.23400  1.0 3.0
   61    57    59    62   0.02550  1.0 1.0
   61    57    59    62  -0.02600 -1.0 2.0
   61    57    59    62   1.20400  1.0 3.0
   61    57    59    64   1.11900  1.0 1.0
   61    57    59    64  -1.16350 -1.0 2.0
   61    57    59    64  -0.34150  1.0 3.0
   50    40    45    46   0.30150 -1.0 2.0
   50    40    45    52   0.65300  1.0 1.0
   50    40    45    52  -0.03850 -1.0 2.0
   50    40    45    52   0.33900  1.0 3.0
   50    40    47    65   0.86500  1.0 1.0
   50    40    47    65  -0.17500 -1.0 2.0
   50    40    47    65   0.20800  1.0 3.0
   50    40    47    48   0.23400  1.0 3.0
   50    40    47    49   0.23400  1.0 3.0
   41    33    37    38   0.30150 -1.0 2.0
   41    33    37    39   0.74550  1.0 1.0
   41    33    37    39  -0.00500 -1.0 2.0
   41    33    40    45  -0.95700  1.0 1.0
   41    33    40    45  -0.18200 -1.0 2.0
   41    33    40    45   0.29450  1.0 3.0
   41    33    40    47   0.56750  1.0 1.0
   41    33    40    47  -0.07550 -1.0 2.0
   41    33    40    47   0.20000  1.0 3.0
   41    33    40    50   0.86500  1.0 1.0
   41    33    40    50  -0.17500 -1.0 2.0
   41    33    40    50   0.20800  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    39    37    38  10.50000 -1.0 2.0
   40    52    45    46  10.50000 -1.0 2.0
   45    53    52    54   1.10000 -1.0 2.0
   55    65    54    52   1.10000 -1.0 2.0
   64    76    70    71  10.50000 -1.0 2.0
END
