* LIGAND DATABASE FILE (OPLS2005)
*
001      77    81    144    225     409
    1     0 S   NP   _N1_     1    28.05170    97.44667   -23.19178
    2     1 S   H    _HN1     2     1.02958    70.58985     0.58115
    3     1 S   H    _H1_     3     1.02836    40.09344   154.87222
    4     1 S   H    _H2_     4     1.02777   104.27774  -104.17000
    5     1 S   CT   _CA1     5     1.50130   140.21869    99.44075
    6     5 S   HC   _HA1     6     1.09575   105.21540    93.70507
    7     5 S   CO3  _C1_     7     1.53791   112.39434   -26.48483
    8     7 S   O2Z  _O11     8     1.26364   114.99548   -43.24904
    9     7 S   O2Z  _O12     9     1.26240   114.93835   135.88209
   10     5 S   CT   _CB1    10     1.53103   107.42449  -148.37611
   11    10 S   HC   HB11    11     1.09826   109.33047   -50.52537
   12    10 S   HC   HB12    12     1.09816   110.42349    66.03529
   13    10 S   CT   _CG1    13     1.53009   112.66671  -171.60483
   14    13 S   HC   HG11    14     1.09596   110.47753   -64.42842
   15    13 S   HC   HG12    15     1.09658   109.92357    54.76312
   16    13 S   C    _CD1    16     1.51840   112.35561   175.13176
   17    16 S   O    _OE1    17     1.22745   123.31116    -0.13562
   18    16 S   N    _N2_    18     1.38559   111.66312   179.91844
   19    18 S   H    _HN2    19     1.01553   118.98812     4.54140
   20    18 S   CT1  _CA2    20     1.45830   122.92440   178.00139
   21    20 S   HC   _HA2    21     1.09726   108.95996    23.79668
   22    20 S   C    _C2_    22     1.52917   107.00322   -93.28863
   23    22 S   O    _O2_    23     1.22981   123.02939   -26.93805
   24    20 S   CT   _CB2    32     1.53170   112.15358   146.98329
   25    24 S   HC   HB21    33     1.09603   110.17307    54.07270
   26    24 S   HC   HB22    34     1.09469   110.02759   172.97443
   27    22 S   N    _N3_    24     1.38495   112.57707   155.84535
   28    27 S   H    _HN3    25     1.01662   120.36167    -2.12071
   29    24 S   S    _SG2    35     1.82726   111.08104   -66.67749
   30    27 S   CT   _CA3    26     1.45355   122.46657   178.55044
   31    30 S   HC   HA31    27     1.09568   107.78199   -56.23794
   32    30 S   HC   HA32    28     1.09564   107.62784    60.08624
   33    29 S   CT   _C23    36     1.83979    99.72347   173.48296
   34    33 S   HC   _H3_    37     1.09551   101.46391   -52.83906
   35    30 S   CO3  _C3_    29     1.52888   114.34702  -178.12967
   36    35 S   O2Z  _O31    30     1.26335   116.06526    -0.11869
   37    35 S   O2Z  _O32    31     1.26436   114.41001   179.85196
   38    33 S   CA   _C11    38     1.52257   114.90828    62.14375
   39    33 S   CM   _C16    52     1.51919   111.07017  -166.34430
   40    38 S   CA   _C5_    39     1.41786   118.89150  -134.81654
   41    40 S   HA   _H29    40     1.08759   120.06767     0.70109
   42    39 S   CMA  _C17    53     1.35644   129.76391   -60.83896
   43    42 S   OM   _O21    54     1.26264   128.64183    -2.61771
   44    40 S   CA   _C7_    41     1.39858   121.63741  -179.58316
   45    44 S   HA   _H31    42     1.08397   120.87089  -179.87180
   46    42 S   OS   _O26    55     1.42183   109.99650   174.93314
   47    44 S   CA   _C13    43     1.37651   117.68565     0.10468
   48    46 S   CT   _C18    56     1.42753   105.79780    17.37526
   49    48 S   HC   _H34    57     1.09510   109.03072  -148.19462
   50    48 S   HC   _H35    58     1.09741   107.87517    94.59896
   51    47 S   CA   _C15    44     1.37348   121.58052     0.06256
   52    39 S   CT   _C21    59     1.50648   119.77939   114.11152
   53    52 S   HC   _H40    60     1.09817   107.74423   -76.41605
   54    38 S   CA   _C9_    45     1.40647   122.54020    45.94146
   55    54 S   HA   _H33    46     1.08463   121.70715    -0.67260
   56    51 S   OS   _O25    47     1.36129   112.32563  -180.00000
   57    52 S   CT   _C22    61     1.53698   117.09797    48.35449
   58    57 S   HC   _H41    62     1.09801   110.28397    54.51669
   59    57 S   HC   _H42    63     1.09625   110.60696   -61.92760
   60    56 S   CO   _C20    48     1.44174   100.96234     0.06561
   61    60 S   HC   _H38    49     1.09611   108.67733  -121.04368
   62    60 S   HC   _H39    50     1.09613   108.67844   120.80605
   63    57 S   CA   _C10    64     1.51206   113.11653   178.07105
   64    47 S   OS   _O23    51     1.36039   125.98228  -179.92087
   65    63 S   CA   _C4_    65     1.41375   120.06770    71.68684
   66    65 S   HA   _H28    66     1.08790   119.94173     0.34378
   67    65 S   CA   _C6_    67     1.39768   121.05018  -179.65908
   68    67 S   HA   _H30    68     1.08405   120.87989   179.94065
   69    67 S   CA   _C12    69     1.37825   117.69457    -0.02798
   70    69 S   CA   _C14    70     1.37497   121.72480    -0.03426
   71    63 S   CA   _C8_    71     1.40350   120.33511  -108.07488
   72    71 S   HA   _H32    72     1.08502   121.32692    -0.14127
   73    70 S   OS   _O24    73     1.36101   112.34025   180.00000
   74    73 S   CO   _C19    74     1.44227   100.97172    -0.00000
   75    74 S   HC   _H36    75     1.09609   108.66844  -120.89771
   76    74 S   HC   _H37    76     1.09609   108.67084   120.95195
   77    69 S   OS   _O22    77     1.36068   125.90375   179.96044
  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   8   5   4   3
  16   6   2   1   1  12  14   8   4   8   3   7   3   6   8   8
   4   3   7   7   4   4   1   4   9   4   3   3   2   1   9   1
   8   4   7   3   8   7   4   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    54    39    42    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    44    51    54    55    39    42    43    46    48    52    53    57  
   38    40    54    39    42    52  
   36    37  
   37  
    0  
   40    41    44    45    47    51    54    55    56    39    42    52  
   42    43    46    48    49    50    52    53    57    58    59    63    40    54  
   41    44    45    47    51    54    55    64  
   44    45    47    54  
   43    46    48    49    50    52    53    57  
   46    48    52  
   45    47    51    54    56    60    64  
   47    51    64  
   48    49    50    52    53    57  
   51    54    55    56    60    61    62    64  
   49    50    52    53    57    58    59    63  
   50    52    53    57  
   52    53    57  
   54    55    56    60    61    62    64  
   53    57    58    59    63    65    71  
   57    58    59    63  
   55    56    60    64  
   56  
   60    61    62    64  
   58    59    63    65    66    67    70    71    72  
   59    63    65    71  
   63    65    71  
   61    62    64  
   62    64  
   64  
   65    66    67    68    69    70    71    72    73  
    0  
   66    67    68    69    70    71    72    77  
   67    68    69    71  
   68    69    70    71    73    74    77  
   69    70    77  
   70    71    72    73    74    75    76    77  
   71    72    73    74    75    76    77  
   72    73    74    77  
   73  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   77   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    40   469.000  1.400
   38    54   469.000  1.400
   40    41   367.000  1.080
   40    44   469.000  1.400
   44    45   367.000  1.080
   44    47   469.000  1.400
   47    51   469.000  1.400
   47    64   450.000  1.364
   51    54   469.000  1.400
   51    56   450.000  1.364
   54    55   367.000  1.080
   56    60   320.000  1.380
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    64   320.000  1.380
   39    42   465.000  1.376
   39    52   317.000  1.510
   42    43   745.000  1.250
   42    46   440.000  1.360
   46    48   320.000  1.410
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   268.000  1.529
   52    53   340.000  1.090
   52    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    63   317.000  1.510
   63    65   469.000  1.400
   63    71   469.000  1.400
   65    66   367.000  1.080
   65    67   469.000  1.400
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   469.000  1.400
   69    77   450.000  1.364
   70    71   469.000  1.400
   70    73   450.000  1.364
   71    72   367.000  1.080
   73    74   320.000  1.380
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   320.000  1.380
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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    40    70.00000  120.00000
   33    38    54    70.00000  120.00000
   33    39    42    70.00000  124.00000
   33    39    52    65.00000  117.92700
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  120.00000
   38    40    44    63.00000  120.00000
   38    54    51    63.00000  120.00000
   38    54    55    35.00000  120.00000
   40    44    45    35.00000  120.00000
   40    44    47    63.00000  120.00000
   44    40    41    35.00000  120.00000
   44    47    51    63.00000  120.00000
   44    47    64    70.00000  120.00000
   47    44    45    35.00000  120.00000
   47    51    54    63.00000  120.00000
   47    51    56    70.00000  120.00000
   47    64    60   100.00000  112.36700
   51    54    55    35.00000  120.00000
   51    56    60   100.00000  112.36700
   54    38    40    63.00000  120.00000
   56    51    54    70.00000  120.00000
   56    60    61    35.00000  109.50000
   56    60    62    35.00000  109.50000
   56    60    64    92.60000  111.55000
   62    60    61    33.00000  109.50000
   64    47    51    70.00000  120.00000
   64    60    61    35.00000  109.50000
   64    60    62    35.00000  109.50000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    42    43    65.00000  137.10300
   39    42    46    80.00000  120.01400
   39    52    48    70.00000  112.02700
   39    52    53    35.00000  109.50000
   39    52    57    70.00000  112.02700
   42    46    48    90.00000  111.18400
   46    42    43    65.00000  121.00000
   46    48    49    35.00000  109.50000
   46    48    50    35.00000  109.50000
   46    48    52    50.00000  109.50000
   48    52    53    37.50000  110.70000
   48    52    57    58.35000  112.70000
   50    48    49    33.00000  107.80000
   52    39    42    70.00000  124.00000
   52    48    49    37.50000  110.70000
   52    48    50    37.50000  110.70000
   52    57    58    37.50000  110.70000
   52    57    59    37.50000  110.70000
   52    57    63    70.00000  112.17500
   57    52    53    37.50000  110.70000
   57    63    65    70.00000  120.00000
   57    63    71    70.00000  120.00000
   59    57    58    33.00000  107.80000
   63    57    58    35.00000  109.50000
   63    57    59    35.00000  109.50000
   63    65    66    35.00000  120.00000
   63    65    67    63.00000  120.00000
   63    71    70    63.00000  120.00000
   63    71    72    35.00000  120.00000
   65    67    68    35.00000  120.00000
   65    67    69    63.00000  120.00000
   67    65    66    35.00000  120.00000
   67    69    70    63.00000  120.00000
   67    69    77    70.00000  120.00000
   69    67    68    35.00000  120.00000
   69    70    71    63.00000  120.00000
   69    70    73    70.00000  120.00000
   69    77    74   100.00000  112.36700
   70    71    72    35.00000  120.00000
   70    73    74   100.00000  112.36700
   71    63    65    63.00000  120.00000
   73    70    71    70.00000  120.00000
   73    74    75    35.00000  109.50000
   73    74    76    35.00000  109.50000
   73    74    77    92.60000  111.55000
   76    74    75    33.00000  109.50000
   77    69    70    70.00000  120.00000
   77    74    75    35.00000  109.50000
   77    74    76    35.00000  109.50000
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    40  -0.16000  1.0 1.0
   29    33    38    40  -0.03200 -1.0 2.0
   29    33    38    40   0.04500  1.0 3.0
   29    33    38    54  -0.16000  1.0 1.0
   29    33    38    54  -0.03200 -1.0 2.0
   29    33    38    54   0.04500  1.0 3.0
   29    33    39    42   0.42700  1.0 1.0
   29    33    39    42  -0.70350 -1.0 2.0
   29    33    39    42  -0.43150  1.0 3.0
   29    33    39    52   0.30250  1.0 1.0
   29    33    39    52  -0.14950 -1.0 2.0
   29    33    39    52   0.36900  1.0 3.0
   33    38    40    41   3.62500 -1.0 2.0
   33    38    40    44   3.62500 -1.0 2.0
   33    38    54    51   3.62500 -1.0 2.0
   33    38    54    55   3.62500 -1.0 2.0
   33    39    42    43   7.00000 -1.0 2.0
   33    39    42    46   7.00000 -1.0 2.0
   33    39    52    48   0.46850  1.0 1.0
   33    39    52    48   0.08550 -1.0 2.0
   33    39    52    48   0.09800  1.0 3.0
   33    39    52    53   0.34800  1.0 3.0
   33    39    52    57   0.46850  1.0 1.0
   33    39    52    57   0.08550 -1.0 2.0
   33    39    52    57   0.09800  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    54   0.00000  1.0 1.0
   34    33    39    42   0.00000  1.0 1.0
   34    33    39    52   0.34800  1.0 3.0
   38    33    39    42   1.44450  1.0 1.0
   38    33    39    42   0.06600 -1.0 2.0
   38    33    39    42   0.29250  1.0 3.0
   38    33    39    52   0.09700  1.0 1.0
   38    33    39    52   0.15600 -1.0 2.0
   38    33    39    52  -0.50800  1.0 3.0
   38    40    44    45   3.62500 -1.0 2.0
   38    40    44    47   3.62500 -1.0 2.0
   40    38    54    51   3.62500 -1.0 2.0
   40    38    54    55   3.62500 -1.0 2.0
   40    44   -47    51   3.62500 -1.0 2.0
   40    44    47    64   3.62500 -1.0 2.0
   41    40    44    45   3.62500 -1.0 2.0
   41    40    44    47   3.62500 -1.0 2.0
   44    47    51    54   3.62500 -1.0 2.0
   44    47    51    56   3.62500 -1.0 2.0
   44    47    64    60   1.63200 -1.0 2.0
   45    44    47    51   3.62500 -1.0 2.0
   45    44    47    64   3.62500 -1.0 2.0
   47    51   -54    38   3.62500 -1.0 2.0
   47    51    54    55   3.62500 -1.0 2.0
   47    51   -56    60   1.63200 -1.0 2.0
   51    47   -64    60   1.63200 -1.0 2.0
   51    56    60    61   0.08050  1.0 3.0
   51    56    60    62   0.08050  1.0 3.0
   51    56   -60    64  -0.25600  1.0 1.0
   51    56   -60    64  -0.40050 -1.0 2.0
   51    56   -60    64   0.34700  1.0 3.0
   54    38    40    41   3.62500 -1.0 2.0
   54    38   -40    44   3.62500 -1.0 2.0
   54    51    56    60   1.63200 -1.0 2.0
   56    51    54    38   3.62500 -1.0 2.0
   56    51    54    55   3.62500 -1.0 2.0
   56    60   -64    47  -0.25600  1.0 1.0
   56    60   -64    47  -0.40050 -1.0 2.0
   56    60   -64    47   0.34700  1.0 3.0
   61    60    64    47   0.08050  1.0 3.0
   62    60    64    47   0.08050  1.0 3.0
   64    47    51    54   3.62500 -1.0 2.0
   64    47   -51    56   3.62500 -1.0 2.0
   39    33    38    40   0.18050 -1.0 2.0
   39    33    38    54   0.18050 -1.0 2.0
   39    42   -46    48  -2.26850  1.0 1.0
   39    42   -46    48   3.39050 -1.0 2.0
   39    52    57    58   0.15000  1.0 3.0
   39    52    57    59   0.15000  1.0 3.0
   39    52    57    63   0.21200  1.0 1.0
   39    52    57    63   0.16900 -1.0 2.0
   39    52    57    63  -1.15100  1.0 3.0
   42    39   -52    48   0.09850  1.0 1.0
   42    39   -52    48   0.15250 -1.0 2.0
   42    39   -52    48  -0.50650  1.0 3.0
   42    39    52    53   0.00000  1.0 1.0
   42    39    52    57   0.09850  1.0 1.0
   42    39    52    57   0.15250 -1.0 2.0
   42    39    52    57  -0.50650  1.0 3.0
   42    46    48    49   0.08050  1.0 3.0
   42    46    48    50   0.08050  1.0 3.0
   42    46   -48    52  -0.46850  1.0 1.0
   42    46   -48    52   0.09300 -1.0 2.0
   42    46   -48    52  -0.12850  1.0 3.0
   43    42    46    48   2.00000 -1.0 2.0
   46    48   -52    39   0.61850  1.0 1.0
   46    48   -52    39  -0.22750 -1.0 2.0
   46    48   -52    39   0.15300  1.0 3.0
   46    48    52    53   0.23400  1.0 3.0
   46    48    52    57   0.62750  1.0 1.0
   46    48    52    57  -0.30950 -1.0 2.0
   46    48    52    57   0.27300  1.0 3.0
   48    52    57    58   0.15000  1.0 3.0
   48    52    57    59   0.15000  1.0 3.0
   48    52    57    63  -0.03700  1.0 1.0
   48    52    57    63   0.37200 -1.0 2.0
   48    52    57    63  -0.47300  1.0 3.0
   49    48    52    39   0.15000  1.0 3.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    57   0.15000  1.0 3.0
   50    48    52    39   0.15000  1.0 3.0
   50    48    52    53   0.15000  1.0 3.0
   50    48    52    57   0.15000  1.0 3.0
   52    39    42    43   7.00000 -1.0 2.0
   52    39   -42    46   7.00000 -1.0 2.0
   52    57    63    65   0.04150 -1.0 2.0
   52    57    63    71   0.04150 -1.0 2.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    59   0.15000  1.0 3.0
   53    52    57    63   0.43200  1.0 3.0
   57    63    65    66   3.62500 -1.0 2.0
   57    63    65    67   3.62500 -1.0 2.0
   57    63    71    70   3.62500 -1.0 2.0
   57    63    71    72   3.62500 -1.0 2.0
   58    57    63    65   0.00000  1.0 1.0
   58    57    63    71   0.00000  1.0 1.0
   59    57    63    65   0.00000  1.0 1.0
   59    57    63    71   0.00000  1.0 1.0
   63    65    67    68   3.62500 -1.0 2.0
   63    65    67    69   3.62500 -1.0 2.0
   65    63    71    70   3.62500 -1.0 2.0
   65    63    71    72   3.62500 -1.0 2.0
   65    67   -69    70   3.62500 -1.0 2.0
   65    67    69    77   3.62500 -1.0 2.0
   66    65    67    68   3.62500 -1.0 2.0
   66    65    67    69   3.62500 -1.0 2.0
   67    69    70    71   3.62500 -1.0 2.0
   67    69    70    73   3.62500 -1.0 2.0
   67    69    77    74   1.63200 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    77   3.62500 -1.0 2.0
   69    70   -71    63   3.62500 -1.0 2.0
   69    70    71    72   3.62500 -1.0 2.0
   69    70   -73    74   1.63200 -1.0 2.0
   70    69   -77    74   1.63200 -1.0 2.0
   70    73    74    75   0.08050  1.0 3.0
   70    73    74    76   0.08050  1.0 3.0
   70    73   -74    77  -0.25600  1.0 1.0
   70    73   -74    77  -0.40050 -1.0 2.0
   70    73   -74    77   0.34700  1.0 3.0
   71    63    65    66   3.62500 -1.0 2.0
   71    63   -65    67   3.62500 -1.0 2.0
   71    70    73    74   1.63200 -1.0 2.0
   73    70    71    63   3.62500 -1.0 2.0
   73    70    71    72   3.62500 -1.0 2.0
   73    74   -77    69  -0.25600  1.0 1.0
   73    74   -77    69  -0.40050 -1.0 2.0
   73    74   -77    69   0.34700  1.0 3.0
   75    74    77    69   0.08050  1.0 3.0
   76    74    77    69   0.08050  1.0 3.0
   77    69    70    71   3.62500 -1.0 2.0
   77    69   -70    73   3.62500 -1.0 2.0
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
   37    30    35    36  10.50000 -1.0 2.0
   40    54    38    33   4.00000 -1.0 2.0
   44    41    40    38   1.10000 -1.0 2.0
   47    45    44    40   1.10000 -1.0 2.0
   51    64    47    44   4.00000 -1.0 2.0
   54    56    51    47   4.00000 -1.0 2.0
   51    55    54    38   1.10000 -1.0 2.0
   33    52    39    42   1.10000 -1.0 2.0
   43    46    42    39   1.10000 -1.0 2.0
   65    71    63    57   4.00000 -1.0 2.0
   67    66    65    63   1.10000 -1.0 2.0
   69    68    67    65   1.10000 -1.0 2.0
   70    77    69    67   4.00000 -1.0 2.0
   71    73    70    69   4.00000 -1.0 2.0
   70    72    71    63   1.10000 -1.0 2.0
END
