* LIGAND DATABASE FILE (OPLS2005)
*
001      78    79    145    225     433
    1     0 S   NP   _N1_     1    28.62161    94.64321   -23.06680
    2     1 S   H    _HN1     2     1.02836    27.86254   176.47008
    3     1 S   H    _H1_     3     1.02778   103.09701   -79.92391
    4     1 S   H    _H2_     4     1.02960    83.16701    27.37305
    5     1 S   CT   _CA1     5     1.50124   134.52353   139.34014
    6     5 S   HC   _HA1     6     1.09576   105.22233    76.69325
    7     5 S   CO3  _C1_     7     1.53774   112.41168   -43.49192
    8     7 S   O2Z  _O11     8     1.26357   114.99769   -43.31819
    9     7 S   O2Z  _O12     9     1.26239   114.92155   135.85513
   10     5 S   CT   _CB1    10     1.53100   107.42928  -165.41135
   11    10 S   HC   HB11    11     1.09825   109.28750   -50.94499
   12    10 S   HC   HB12    12     1.09817   110.42839    65.58897
   13    10 S   CT   _CG1    13     1.53019   112.70013  -172.05972
   14    13 S   HC   HG11    14     1.09595   110.45379   -64.65674
   15    13 S   HC   HG12    15     1.09657   109.95475    54.56112
   16    13 S   C    _CD1    16     1.51830   112.33970   174.88695
   17    16 S   O    _OE1    17     1.22724   123.26773    -0.95450
   18    16 S   N    _N2_    18     1.38641   111.65616   179.28783
   19    18 S   H    _HN2    19     1.01587   119.01396     1.03854
   20    18 S   CT1  _CA2    20     1.46097   123.35637   179.14568
   21    20 S   HC   _HA2    21     1.09756   109.40244    -6.01914
   22    20 S   C    _C2_    22     1.53448   108.52117  -121.42992
   23    22 S   O    _O2_    23     1.23027   122.25770  -144.74210
   24    20 S   CT   _CB2    32     1.53297   111.72508   115.92824
   25    24 S   HC   HB21    33     1.09577   110.46032    54.18941
   26    24 S   HC   HB22    34     1.09229   109.72572   172.62671
   27    22 S   N    _N3_    24     1.38499   113.42464    42.75018
   28    27 S   H    _HN3    25     1.01500   119.01754    -0.57301
   29    24 S   S    _SG2    35     1.83050   111.74756   -66.36781
   30    27 S   CT   _CA3    26     1.45436   123.25436   174.60137
   31    30 S   HC   HA31    27     1.09534   109.05498    28.26370
   32    30 S   HC   HA32    28     1.09490   107.17966   145.27855
   33    29 S   CT   _C15    36     1.90138   100.72317  -151.05979
   34    30 S   CO3  _C3_    29     1.52955   113.20339   -95.04706
   35    34 S   O2Z  _O31    30     1.26397   115.46030   -42.71713
   36    34 S   O2Z  _O32    31     1.26364   114.94030   138.20734
   37    33 S   CO4  _C7_    37     1.51687   102.39058  -176.67274
   38    37 S   O    _O19    38     1.22227   126.57353    71.71324
   39    33 S   CT   _C9_    56     1.55365   107.22348   -56.37149
   40    39 S   HC   _H25    57     1.09544   109.68122    78.79408
   41    39 S   HC   _H26    58     1.10222   107.69530   -31.84506
   42    37 S   OS   _O20    39     1.35899   110.22099  -104.58800
   43    42 S   CO4  _C6_    40     1.35493   112.00369    -2.91564
   44    43 S   O    _O18    41     1.22212   123.96525   177.38596
   45    33 S   CT   _C13    42     1.54783   107.39228    75.17968
   46    45 S   HC   _H31    43     1.09476   107.99179    -8.84018
   47    45 S   CT   _C14    44     1.55448   120.43974  -132.24353
   48    47 S   HC   _H32    45     1.09037   108.91067    33.43412
   49    47 S   CT   _C12    46     1.54957   116.45345   -90.24720
   50    49 S   HC   _H30    47     1.09669   109.69425   -68.74163
   51    47 S   CT   _C18    69     1.56869   110.20232   147.00369
   52    51 S   HC   _H39    70     1.09698   109.80223    54.03307
   53    51 S   HC   _H40    71     1.09661   109.64408   170.35119
   54    49 S   CO4  _C5_    48     1.52159   116.58952    53.24706
   55    54 S   O    _O17    49     1.23373   120.48028   -93.81558
   56    49 S   OH   _O22    67     1.42649   109.44345   175.44216
   57    56 S   HO   _H44    68     0.97311   107.62702   163.55939
   58    51 S   CT   _C19    72     1.53432   114.15997   -69.49143
   59    58 S   HC   _H41    73     1.09591   109.84452   -52.60656
   60    58 S   HC   _H42    74     1.09344   111.03530    66.13500
   61    54 S   CT   _C10    50     1.51396   119.81222    87.16461
   62    61 S   HC   _H27    51     1.09508   108.90901    49.66824
   63    61 S   HC   _H28    52     1.09755   106.32288   163.11476
   64    58 S   CT   _C17    75     1.52187   111.38343  -173.43284
   65    64 S   HC   _H36    76     1.09466   110.96318   -59.93271
   66    64 S   HC   _H37    77     1.09463   110.20324  -179.65226
   67    64 S   HC   _H38    78     1.09464   111.06083    60.66057
   68    61 S   CT   _C11    53     1.52404   114.65234   -75.72788
   69    68 S   HC   _H29    54     1.09691   107.28764  -167.21296
   70    68 S   CM   _C4_    55     1.51856   114.58183   -47.06410
   71    68 S   OH   _O21    65     1.42344   110.90353    80.46164
   72    71 S   HO   _H43    66     0.97247   108.00651    52.60655
   73    70 S   CM   _C8_    59     1.35254   121.17034   -83.97309
   74    73 S   HC   _H24    60     1.08926   118.32244  -174.45659
   75    73 S   CT   _C16    61     1.49575   128.64366     5.47497
   76    75 S   HC   _H33    62     1.09448   109.61221  -119.14053
   77    75 S   HC   _H34    63     1.09468   109.46103   122.48862
   78    75 S   HC   _H35    64     1.09130   113.99315     1.92763
  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  11   4  15   5   4   5   7   3  12   4  15   8
  13   6  11   5   4  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    45    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    43    45    46    47    70    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    45    46    47    48    49    68    70    39    40    41    73    51  
   35    36  
   36  
    0  
   38    42    43    44    45    46    47    70    39    40    41  
   42    43    45    39  
   40    41    73    74    75    71    42    43    45    46    47    61    68    69    70  
   41    73    45    68    70  
   73    45    68    70  
   43    44    45    46    47  
   44    45    46    47    48    49    51  
   45    46    47  
   46    47    48    49    50    54    70    56    51    52    53    58  
   47    48    49    51  
   48    49    50    54    55    61    56    57    51    52    53    58    59    60    64  
   49    50    54    56    51    52    53    58  
   50    54    55    61    62    63    68    56    57    51    52    53    58  
   54    55    61    56    57    51  
   52    53    58    59    60    64    65    66    67    54    56  
   53    58    59    60    64  
   58    59    60    64  
   55    61    62    63    68    69    70    71    56    57  
   61    62    63    68    56  
   57    61  
    0  
   59    60    64    65    66    67  
   60    64    65    66    67  
   64    65    66    67  
   62    63    68    69    70    73    71    72  
   63    68    69    70    71  
   68    69    70    71  
   65    66    67  
   66    67  
   67  
    0  
   69    70    73    74    75    71    72  
   70    73    71    72  
   73    74    75    76    77    78    71    72  
   72    73  
    0  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78  
   77    78  
   78  
    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   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.430000   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   3.0000   0.1700  -0.160000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   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    45   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    42   214.000  1.327
   42    43   214.000  1.327
   43    44   570.000  1.229
   43    45   317.000  1.522
   45    46   340.000  1.090
   45    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    51   268.000  1.529
   49    50   340.000  1.090
   49    54   317.000  1.522
   49    56   320.000  1.410
   54    55   570.000  1.229
   54    61   317.000  1.522
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    68   268.000  1.529
   68    69   340.000  1.090
   68    70   317.000  1.510
   68    71   320.000  1.410
   70    39   317.000  1.510
   70    73   549.000  1.340
   39    40   340.000  1.090
   39    41   340.000  1.090
   73    74   340.000  1.080
   73    75   317.000  1.510
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   71    72   553.000  0.945
   56    57   553.000  0.945
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   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    45    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    42    81.00000  111.40000
   33    45    43    63.00000  111.10000
   33    45    46    37.50000  110.70000
   33    45    47    58.35000  112.70000
   33    39    70    70.00000  112.02700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43   105.00000  110.06700
   42    37    38    83.00000  123.40000
   42    43    44    83.00000  123.40000
   42    43    45    81.00000  111.40000
   43    45    46    35.00000  109.50000
   43    45    47    63.00000  111.10000
   45    33    37    63.00000  111.10000
   45    43    44    80.00000  120.40000
   45    47    48    37.50000  110.70000
   45    47    49    58.35000  112.70000
   45    47    51    58.35000  112.70000
   47    45    46    37.50000  110.70000
   47    49    50    37.50000  110.70000
   47    49    54    63.00000  111.10000
   47    49    56    50.00000  109.50000
   47    51    52    37.50000  110.70000
   47    51    53    37.50000  110.70000
   47    51    58    58.35000  112.70000
   49    47    48    37.50000  110.70000
   49    54    55    80.00000  120.40000
   49    54    61    70.00000  116.00000
   49    56    57    55.00000  108.50000
   54    49    50    35.00000  109.50000
   54    61    62    35.00000  109.50000
   54    61    63    35.00000  109.50000
   54    61    68    63.00000  111.10000
   61    54    55    80.00000  120.40000
   61    68    69    37.50000  110.70000
   61    68    70    70.00000  112.02700
   61    68    71    50.00000  109.50000
   63    61    62    33.00000  107.80000
   68    61    62    37.50000  110.70000
   68    61    63    37.50000  110.70000
   68    70    39    65.00000  117.92700
   68    70    73    70.00000  124.00000
   68    71    72    55.00000  108.50000
   70    68    69    35.00000  109.50000
   70    39    40    35.00000  109.50000
   70    39    41    35.00000  109.50000
   70    73    74    35.00000  120.00000
   70    73    75    70.00000  124.00000
   39    33    37    63.00000  111.10000
   39    33    45    58.35000  112.70000
   41    39    40    33.00000  107.80000
   73    70    39    70.00000  124.00000
   73    75    76    35.00000  109.50000
   73    75    77    35.00000  109.50000
   73    75    78    35.00000  109.50000
   75    73    74    35.00000  117.00000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   71    68    69    35.00000  109.50000
   71    68    70    90.00000  110.39200
   56    49    50    35.00000  109.50000
   56    49    54    90.00000  109.61100
   51    47    48    37.50000  110.70000
   51    47    49    58.35000  112.70000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    58    64    58.35000  112.70000
   53    51    52    33.00000  107.80000
   58    51    52    37.50000  110.70000
   58    51    53    37.50000  110.70000
   58    64    65    37.50000  110.70000
   58    64    66    37.50000  110.70000
   58    64    67    37.50000  110.70000
   60    58    59    33.00000  107.80000
   64    58    59    37.50000  110.70000
   64    58    60    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    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    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   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   0.40000  1.0 3.0
   29    33    45    43   0.56750  1.0 1.0
   29    33    45    43  -0.07550 -1.0 2.0
   29    33    45    43   0.20000  1.0 3.0
   29    33    45    46   0.15000  1.0 3.0
   29    33    45    47   0.44750  1.0 1.0
   29    33    45    47  -0.17800 -1.0 2.0
   29    33    45    47   0.20200  1.0 3.0
   29    33    39    70   0.56750  1.0 1.0
   29    33    39    70  -0.07550 -1.0 2.0
   29    33    39    70   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    37   -42    43   2.00000 -1.0 2.0
   33    45    47    48   0.15000  1.0 3.0
   33    45    47    49   0.56750  1.0 1.0
   33    45    47    49  -0.07550 -1.0 2.0
   33    45    47    49   0.20000  1.0 3.0
   33    45    47    51   0.56750  1.0 1.0
   33    45    47    51  -0.07550 -1.0 2.0
   33    45    47    51   0.20000  1.0 3.0
   37    33   -45    43   0.11950  1.0 1.0
   37    33   -45    43   0.20300 -1.0 2.0
   37    33   -45    43  -0.70800  1.0 3.0
   37    33    45    46  -0.11250  1.0 3.0
   37    33    45    47  -0.95700  1.0 1.0
   37    33    45    47  -0.18200 -1.0 2.0
   37    33    45    47   0.29450  1.0 3.0
   37    33    39    70  -0.98800  1.0 1.0
   37    33    39    70   0.48800 -1.0 2.0
   37    33    39    70   0.76800  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    42    43    44   3.00000 -1.0 2.0
   37    42   -43    45   2.00000 -1.0 2.0
   38    37    42    43   3.00000 -1.0 2.0
   42    43   -45    33   0.36750  1.0 3.0
   42    43    45    46   0.00000  1.0 1.0
   42    43    45    47   0.36750  1.0 3.0
   43    45    47    48  -0.11250  1.0 3.0
   43    45    47    49  -0.95700  1.0 1.0
   43    45    47    49  -0.18200 -1.0 2.0
   43    45    47    49   0.29450  1.0 3.0
   43    45    47    51  -0.95700  1.0 1.0
   43    45    47    51  -0.18200 -1.0 2.0
   43    45    47    51   0.29450  1.0 3.0
   44    43    45    33   0.30150 -1.0 2.0
   44    43    45    46   0.00000  1.0 1.0
   44    43    45    47   0.30150 -1.0 2.0
   45    33    37    38   0.30150 -1.0 2.0
   45    33   -37    42   0.36750  1.0 3.0
   45    33    39    70   0.34400  1.0 1.0
   45    33    39    70   0.09450 -1.0 2.0
   45    33    39    70   0.11100  1.0 3.0
   45    33    39    40   0.15000  1.0 3.0
   45    33    39    41   0.15000  1.0 3.0
   45    47    49    50   0.15000  1.0 3.0
   45    47    49    54  -0.95700  1.0 1.0
   45    47    49    54  -0.18200 -1.0 2.0
   45    47    49    54   0.29450  1.0 3.0
   45    47    49    56   0.86500  1.0 1.0
   45    47    49    56  -0.17500 -1.0 2.0
   45    47    49    56   0.20800  1.0 3.0
   45    47    51    52   0.15000  1.0 3.0
   45    47    51    53   0.15000  1.0 3.0
   45    47    51    58   0.56750  1.0 1.0
   45    47    51    58  -0.07550 -1.0 2.0
   45    47    51    58   0.20000  1.0 3.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    49   0.15000  1.0 3.0
   46    45    47    51   0.15000  1.0 3.0
   47    49    54    55   0.30150 -1.0 2.0
   47    49    54    61   0.60050  1.0 1.0
   47    49    54    61   0.05600 -1.0 2.0
   47    49    54    61   0.26150  1.0 3.0
   47    49    56    57  -0.11600  1.0 1.0
   47    49    56    57  -0.09450 -1.0 2.0
   47    49    56    57   0.21250  1.0 3.0
   47    51    58    59   0.15000  1.0 3.0
   47    51    58    60   0.15000  1.0 3.0
   47    51    58    64   0.56750  1.0 1.0
   47    51    58    64  -0.07550 -1.0 2.0
   47    51    58    64   0.20000  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    54  -0.11250  1.0 3.0
   48    47    49    56   0.23400  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    53   0.15000  1.0 3.0
   48    47    51    58   0.15000  1.0 3.0
   49    47    51    52   0.15000  1.0 3.0
   49    47    51    53   0.15000  1.0 3.0
   49    47    51    58   0.56750  1.0 1.0
   49    47    51    58  -0.07550 -1.0 2.0
   49    47    51    58   0.20000  1.0 3.0
   49    54    61    62   0.00000  1.0 1.0
   49    54    61    63   0.00000  1.0 1.0
   49    54    61    68   0.60050  1.0 1.0
   49    54    61    68   0.05600 -1.0 2.0
   49    54    61    68   0.26150  1.0 3.0
   50    49    54    55   0.00000  1.0 1.0
   50    49    54    61   0.00000  1.0 1.0
   50    49    56    57   0.19450  1.0 3.0
   54    49    56    57   0.91850  1.0 1.0
   54    49    56    57   0.57950  1.0 3.0
   54    61    68    69  -0.11250  1.0 3.0
   54    61    68    70  -0.98800  1.0 1.0
   54    61    68    70   0.48800 -1.0 2.0
   54    61    68    70   0.76800  1.0 3.0
   54    61    68    71  -0.09450  1.0 1.0
   54    61    68    71  -1.12950 -1.0 2.0
   54    61    68    71   0.54000  1.0 3.0
   55    54    61    62   0.00000  1.0 1.0
   55    54    61    63   0.00000  1.0 1.0
   55    54    61    68   0.30150 -1.0 2.0
   61    68    70    39   0.46850  1.0 1.0
   61    68    70    39   0.08550 -1.0 2.0
   61    68    70    39   0.09800  1.0 3.0
   61    68    70    73   0.09850  1.0 1.0
   61    68    70    73   0.15250 -1.0 2.0
   61    68    70    73  -0.50650  1.0 3.0
   61    68    71    72  -0.11600  1.0 1.0
   61    68    71    72  -0.09450 -1.0 2.0
   61    68    71    72   0.21250  1.0 3.0
   62    61    68    69   0.15000  1.0 3.0
   62    61    68    70   0.15000  1.0 3.0
   62    61    68    71   0.23400  1.0 3.0
   63    61    68    69   0.15000  1.0 3.0
   63    61    68    70   0.15000  1.0 3.0
   63    61    68    71   0.23400  1.0 3.0
   68    70    39    33   0.46850  1.0 1.0
   68    70    39    33   0.08550 -1.0 2.0
   68    70    39    33   0.09800  1.0 3.0
   68    70    39    40   0.34800  1.0 3.0
   68    70    39    41   0.34800  1.0 3.0
   68    70    73    74   7.00000 -1.0 2.0
   68    70    73    75   7.00000 -1.0 2.0
   69    68    70    39   0.34800  1.0 3.0
   69    68    70    73   0.00000  1.0 1.0
   69    68    71    72   0.19450  1.0 3.0
   70    68    71    72  -0.07800  1.0 1.0
   70    68    71    72  -0.21500 -1.0 2.0
   70    68    71    72  -0.03150  1.0 3.0
   70    73    75    76   0.00000  1.0 1.0
   70    73    75    77   0.00000  1.0 1.0
   70    73    75    78   0.00000  1.0 1.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    42   0.36750  1.0 3.0
   39    33    45    43  -0.95700  1.0 1.0
   39    33    45    43  -0.18200 -1.0 2.0
   39    33    45    43   0.29450  1.0 3.0
   39    33    45    46   0.15000  1.0 3.0
   39    33    45    47   0.56750  1.0 1.0
   39    33    45    47  -0.07550 -1.0 2.0
   39    33    45    47   0.20000  1.0 3.0
   39    70    73    74   7.00000 -1.0 2.0
   39    70    73    75   7.00000 -1.0 2.0
   73    70    39    33   0.09850  1.0 1.0
   73    70    39    33   0.15250 -1.0 2.0
   73    70    39    33  -0.50650  1.0 3.0
   73    70    39    40   0.00000  1.0 1.0
   73    70    39    41   0.00000  1.0 1.0
   74    73    75    76   0.33100  1.0 3.0
   74    73    75    77   0.33100  1.0 3.0
   74    73    75    78   0.33100  1.0 3.0
   71    68    70    39   0.18000  1.0 1.0
   71    68    70    39   0.16450 -1.0 2.0
   71    68    70    39   0.04450  1.0 3.0
   71    68    70    73   0.67800  1.0 1.0
   71    68    70    73   0.47050 -1.0 2.0
   71    68    70    73  -0.62500  1.0 3.0
   56    49    54    55   0.30150 -1.0 2.0
   56    49    54    61   0.55300  1.0 1.0
   56    49    54    61   1.25850 -1.0 2.0
   56    49    54    61  -0.23600  1.0 3.0
   51    47    49    50   0.15000  1.0 3.0
   51    47    49    54  -0.95700  1.0 1.0
   51    47    49    54  -0.18200 -1.0 2.0
   51    47    49    54   0.29450  1.0 3.0
   51    47    49    56   0.86500  1.0 1.0
   51    47    49    56  -0.17500 -1.0 2.0
   51    47    49    56   0.20800  1.0 3.0
   51    58    64    65   0.15000  1.0 3.0
   51    58    64    66   0.15000  1.0 3.0
   51    58    64    67   0.15000  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    60   0.15000  1.0 3.0
   52    51    58    64   0.15000  1.0 3.0
   53    51    58    59   0.15000  1.0 3.0
   53    51    58    60   0.15000  1.0 3.0
   53    51    58    64   0.15000  1.0 3.0
   59    58    64    65   0.15000  1.0 3.0
   59    58    64    66   0.15000  1.0 3.0
   59    58    64    67   0.15000  1.0 3.0
   60    58    64    65   0.15000  1.0 3.0
   60    58    64    66   0.15000  1.0 3.0
   60    58    64    67   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    42    37    38  10.50000 -1.0 2.0
   42    45    43    44  10.50000 -1.0 2.0
   49    61    54    55  10.50000 -1.0 2.0
   68    39    70    73   1.10000 -1.0 2.0
   75    74    73    70   1.10000 -1.0 2.0
END
