* LIGAND DATABASE FILE (OPLS2005)
*
001      78    80    147    223     426
    1     0 S   NP   _N1_     1    28.75635    94.85966   -21.47229
    2     1 S   H    _HN1     2     1.02764    96.82500   -66.55552
    3     1 S   H    _H1_     3     1.02947    81.44893    41.19474
    4     1 S   H    _H2_     4     1.02825    33.41285  -179.11133
    5     1 S   CT   _CA1     5     1.50238   141.66690   153.18953
    6     5 S   HC   _HA1     6     1.09590   104.99236    74.92958
    7     5 S   CO3  _C1_     7     1.53734   112.62652   -44.59130
    8     7 S   O2Z  _O11     8     1.26357   114.96066   -33.09623
    9     7 S   O2Z  _O12     9     1.26262   114.95110   145.54301
   10     5 S   CT   _CB1    10     1.53091   107.30646  -167.41980
   11    10 S   HC   HB11    11     1.09811   108.80405   -50.07522
   12    10 S   HC   HB12    12     1.09809   110.51653    66.30588
   13    10 S   CT   _CG1    13     1.53036   112.95409  -171.34113
   14    13 S   HC   HG11    14     1.09583   110.33582   -72.90393
   15    13 S   HC   HG12    15     1.09684   109.97747    46.24348
   16    13 S   C    _CD1    16     1.51931   112.49783   166.05401
   17    16 S   O    _OE1    17     1.22736   123.30052    -0.39958
   18    16 S   N    _N2_    18     1.38641   111.65866  -179.52481
   19    18 S   H    _HN2    19     1.01606   118.82785    -1.68447
   20    18 S   CT1  _CA2    20     1.46361   123.54066   176.50924
   21    20 S   HC   _HA2    21     1.09756   109.19834   -15.72989
   22    20 S   C    _C2_    22     1.53404   107.95168  -130.93050
   23    22 S   O    _O2_    23     1.23011   122.53956  -146.12549
   24    20 S   CT   _CB2    32     1.53362   111.76464   106.70154
   25    24 S   HC   HB21    33     1.09576   109.70820    51.78535
   26    24 S   HC   HB22    34     1.09460   110.78955   171.11513
   27    22 S   N    _N3_    24     1.38425   113.30652    41.38119
   28    27 S   H    _HN3    25     1.01659   119.50007    -3.76863
   29    24 S   S    _SG2    35     1.82465   111.19989   -69.21235
   30    27 S   CT   _CA3    26     1.45289   123.06665   176.84887
   31    30 S   HC   HA31    27     1.09555   107.58457   -62.03262
   32    30 S   HC   HA32    28     1.09559   107.86590    54.34756
   33    29 S   CT   _C12    36     1.85959    99.77380   167.75655
   34    33 S   HC   _H4_    37     1.09584   107.38617   -25.96381
   35    30 S   CO3  _C3_    29     1.52924   114.17750   176.28158
   36    35 S   O2Z  _O31    30     1.26360   116.05913    -0.85707
   37    35 S   O2Z  _O32    31     1.26431   114.40910   179.18675
   38    33 S   CT   _C11    38     1.52912   107.31730    89.76101
   39    38 S   HC   _H14    39     1.09633   111.68729   -49.60176
   40    38 S   HC   _H15    40     1.09508   111.14746  -168.03409
   41    38 S   CO4  _C10    41     1.50797   110.73677    72.33506
   42    41 S   O    _O33    42     1.22953   121.87278  -130.95307
   43    41 S   CT   _C9_    43     1.50498   116.05965    54.25979
   44    43 S   HC   _H12    44     1.09621   106.65529    71.65465
   45    43 S   HC   _H13    45     1.09648   108.56368  -173.24135
   46    43 S   CT   _C8_    46     1.54246   111.90757   -51.95534
   47    46 S   HC   _H3_    47     1.09559   107.22345   -77.50742
   48    33 S   CT   _C7_    48     1.56851   110.88147  -144.79505
   49    48 S   CA   _C13    49     1.56064   108.74737    55.05005
   50    48 S   CT   _C6_    68     1.55662   113.56637   174.65210
   51    50 S   HC   _H10    69     1.09537   111.26077    34.65853
   52    50 S   HC   _H11    70     1.09400   114.86903   -86.08396
   53    49 S   CA   _C14    50     1.40727   119.56915    63.32020
   54    53 S   HA   _H16    51     1.08784   120.52254     1.24017
   55    50 S   CT   _C5_    71     1.53515   105.20824   151.86752
   56    55 S   HC   _H8_    72     1.09503   110.94267   109.88527
   57    55 S   HC   _H9_    73     1.09655   109.55480  -130.69948
   58    53 S   CA   _C15    52     1.39702   121.69708  -178.43290
   59    58 S   HA   _H17    53     1.08541   117.69885  -179.49681
   60    46 S   NT   _N4_    74     1.47206   112.49395   160.84360
   61    58 S   CA   _C16    54     1.39415   120.30507     0.69210
   62    60 S   CT   _C4_    75     1.45023   116.68730    49.55725
   63    62 S   HC   _H5_    76     1.09528   110.51500    54.63565
   64    62 S   HC   _H6_    77     1.09507   112.98634   -67.03370
   65    62 S   HC   _H7_    78     1.09554   110.11859   172.38970
   66    61 S   CA   _C17    55     1.40467   119.29550     0.44411
   67    61 S   OS   _O35    63     1.37173   124.66392  -179.69610
   68    49 S   CA   _C18    56     1.40656   123.10522  -113.79872
   69    68 S   HA   _H18    57     1.08301   119.33970    -1.87889
   70    66 S   OS   _O34    58     1.37425   115.66872   179.06518
   71    67 S   CT   _C20    64     1.42188   117.41193    -2.34652
   72    71 S   HC   _H22    65     1.09424   107.76922  -178.87413
   73    71 S   HC   _H23    66     1.09488   111.08864    63.46426
   74    71 S   HC   _H24    67     1.09498   111.17730   -61.02996
   75    70 S   CT   _C19    59     1.42162   117.46530  -172.41274
   76    75 S   HC   _H19    60     1.09429   107.71405   175.42615
   77    75 S   HC   _H20    61     1.09519   111.28664    57.70157
   78    75 S   HC   _H21    62     1.09477   111.02244   -66.95243
  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  10   5   4   3
  18   8   2   1   1  11   5   4   8   4  10   5   4  16   6  15
  14   9   5   4   8   4   7   3   2   7   3   4  10   3   2   1
   1   9   6   3   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    46    48    49    50  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    46    47    48    49    53    68    50    51    52    55    60  
   38    39    40    41    46    48    49    50  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    46    48    49    50  
   40    41    42    43    48  
   41    42    43    48  
   42    43    44    45    46    47    48    60  
   43    44    45    46  
   44    45    46    47    48    49    50    55    60    62  
   45    46    47    48    60  
   46    47    48    60  
   47    48    49    53    68    50    51    52    55    56    57    60    62    63    64    65  
   48    49    50    55    60    62  
   49    53    54    58    66    68    69    50    51    52    55    56    57    60    62  
   53    54    58    59    61    66    68    69    70    50    51    52    55    60  
   51    52    55    56    57    60    62    53    68  
   52    55    56    57    60  
   55    56    57    60  
   54    58    59    61    66    68    69    67  
   58    59    61    68  
   56    57    60    62    63    64    65  
   57    60    62  
   60    62  
   59    61    66    68    70    67    71  
   61    66    67  
   62    63    64    65  
   66    68    69    70    75    67    71    72    73    74  
   63    64    65  
   64    65  
   65  
    0  
   68    69    70    75    76    77    78    67    71  
   71    72    73    74    68    70  
   69    70    75  
   70  
   75    76    77    78  
   72    73    74  
   73    74  
   74  
    0  
   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   0.107500   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   61   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   67   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   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    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   268.000  1.529
   33    48   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   268.000  1.529
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    60   382.000  1.448
   48    49   317.000  1.510
   48    50   268.000  1.529
   49    53   469.000  1.400
   49    68   469.000  1.400
   53    54   367.000  1.080
   53    58   469.000  1.400
   58    59   367.000  1.080
   58    61   469.000  1.400
   61    66   469.000  1.400
   61    67   450.000  1.364
   66    68   469.000  1.400
   66    70   450.000  1.364
   68    69   367.000  1.080
   70    75   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   67    71   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   382.000  1.448
   60    62   382.000  1.448
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   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    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    75.00000  111.63000
   29    33    48    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    48    46    58.35000  112.70000
   33    48    49    70.00000  112.17500
   33    48    50    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    35.00000  109.50000
   41    43    45    35.00000  109.50000
   41    43    46    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    46    47    37.50000  110.70000
   43    46    48    58.35000  112.70000
   43    46    60    56.20000  109.47000
   45    43    44    33.00000  107.80000
   46    43    44    37.50000  110.70000
   46    43    45    37.50000  110.70000
   46    48    49    70.00000  112.17500
   46    48    50    58.35000  112.70000
   46    60    55    51.80000  107.20000
   46    60    62    51.80000  107.20000
   48    33    34    37.50000  110.70000
   48    33    38    58.35000  112.70000
   48    46    47    37.50000  110.70000
   48    49    53    70.00000  120.00000
   48    49    68    70.00000  120.00000
   48    50    51    37.50000  110.70000
   48    50    52    37.50000  110.70000
   48    50    55    58.35000  112.70000
   49    53    54    35.00000  120.00000
   49    53    58    63.00000  120.00000
   49    68    66    63.00000  120.00000
   49    68    69    35.00000  120.00000
   53    58    59    35.00000  120.00000
   53    58    61    63.00000  120.00000
   58    53    54    35.00000  120.00000
   58    61    66    63.00000  120.00000
   58    61    67    70.00000  120.00000
   61    58    59    35.00000  120.00000
   61    66    68    63.00000  120.00000
   61    66    70    70.00000  120.00000
   61    67    71    75.00000  111.00000
   66    68    69    35.00000  120.00000
   66    70    75    75.00000  111.00000
   68    49    53    63.00000  120.00000
   70    66    68    70.00000  120.00000
   70    75    76    35.00000  109.50000
   70    75    77    35.00000  109.50000
   70    75    78    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   67    61    66    70.00000  120.00000
   67    71    72    35.00000  109.50000
   67    71    73    35.00000  109.50000
   67    71    74    35.00000  109.50000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   50    48    49    70.00000  112.17500
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    60    56.20000  109.47000
   52    50    51    33.00000  107.80000
   55    50    51    37.50000  110.70000
   55    50    52    37.50000  110.70000
   55    60    62    51.80000  107.20000
   57    55    56    33.00000  107.80000
   60    46    47    35.00000  109.50000
   60    46    48    56.20000  109.47000
   60    55    56    35.00000  109.50000
   60    55    57    35.00000  109.50000
   60    62    63    35.00000  109.50000
   60    62    64    35.00000  109.50000
   60    62    65    35.00000  109.50000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    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    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    48    46   0.44750  1.0 1.0
   29    33    48    46  -0.17800 -1.0 2.0
   29    33    48    46   0.20200  1.0 3.0
   29    33    48    49   0.56750  1.0 1.0
   29    33    48    49  -0.07550 -1.0 2.0
   29    33    48    49   0.20000  1.0 3.0
   29    33    48    50   0.44750  1.0 1.0
   29    33    48    50  -0.17800 -1.0 2.0
   29    33    48    50   0.20200  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    43   0.60050  1.0 1.0
   33    38    41    43   0.05600 -1.0 2.0
   33    38    41    43   0.26150  1.0 3.0
   33    48    49    53   0.04150 -1.0 2.0
   33    48    49    68   0.04150 -1.0 2.0
   33    48    50    51   0.15000  1.0 3.0
   33    48    50    52   0.15000  1.0 3.0
   33    48    50    55   0.56750  1.0 1.0
   33    48    50    55  -0.07550 -1.0 2.0
   33    48    50    55   0.20000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    48    46   0.15000  1.0 3.0
   34    33    48    49   0.43200  1.0 3.0
   34    33    48    50   0.15000  1.0 3.0
   38    33    48    46   0.56750  1.0 1.0
   38    33    48    46  -0.07550 -1.0 2.0
   38    33    48    46   0.20000  1.0 3.0
   38    33    48    49  -0.03700  1.0 1.0
   38    33    48    49   0.37200 -1.0 2.0
   38    33    48    49  -0.47300  1.0 3.0
   38    33    48    50   0.56750  1.0 1.0
   38    33    48    50  -0.07550 -1.0 2.0
   38    33    48    50   0.20000  1.0 3.0
   38    41    43    44   0.00000  1.0 1.0
   38    41    43    45   0.00000  1.0 1.0
   38    41   -43    46   0.60050  1.0 1.0
   38    41   -43    46   0.05600 -1.0 2.0
   38    41   -43    46   0.26150  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    46    47  -0.11250  1.0 3.0
   41    43    46    48  -0.95700  1.0 1.0
   41    43    46    48  -0.18200 -1.0 2.0
   41    43    46    48   0.29450  1.0 3.0
   41    43    46    60  -3.56550  1.0 1.0
   41    43    46    60  -0.67500 -1.0 2.0
   41    43    46    60   1.11300  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   0.00000  1.0 1.0
   42    41    43    46   0.30150 -1.0 2.0
   43    46   -48    33   0.56750  1.0 1.0
   43    46   -48    33  -0.07550 -1.0 2.0
   43    46   -48    33   0.20000  1.0 3.0
   43    46    48    49  -0.03700  1.0 1.0
   43    46    48    49   0.37200 -1.0 2.0
   43    46    48    49  -0.47300  1.0 3.0
   43    46    48    50   0.56750  1.0 1.0
   43    46    48    50  -0.07550 -1.0 2.0
   43    46    48    50   0.20000  1.0 3.0
   43    46    60    55   0.23450  1.0 1.0
   43    46    60    55   0.02050 -1.0 2.0
   43    46    60    55   0.25250  1.0 3.0
   43    46    60    62   0.58650  1.0 1.0
   43    46    60    62   0.12600 -1.0 2.0
   43    46    60    62   0.33350  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    48   0.15000  1.0 3.0
   44    43    46    60   0.15000  1.0 3.0
   45    43    46    47   0.15000  1.0 3.0
   45    43    46    48   0.15000  1.0 3.0
   45    43    46    60   0.15000  1.0 3.0
   46    48    49    53   0.04150 -1.0 2.0
   46    48    49    68   0.04150 -1.0 2.0
   46    48    50    51   0.15000  1.0 3.0
   46    48    50    52   0.15000  1.0 3.0
   46    48   -50    55   0.56750  1.0 1.0
   46    48   -50    55  -0.07550 -1.0 2.0
   46    48   -50    55   0.20000  1.0 3.0
   46    60    62    63   0.28000  1.0 3.0
   46    60    62    64   0.28000  1.0 3.0
   46    60    62    65   0.28000  1.0 3.0
   47    46    48    33   0.15000  1.0 3.0
   47    46    48    49   0.43200  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    60    55   0.28000  1.0 3.0
   47    46    60    62   0.28000  1.0 3.0
   48    33    38    39   0.15000  1.0 3.0
   48    33    38    40   0.15000  1.0 3.0
   48    33   -38    41  -0.95700  1.0 1.0
   48    33   -38    41  -0.18200 -1.0 2.0
   48    33   -38    41   0.29450  1.0 3.0
   48    46   -60    55   0.23450  1.0 1.0
   48    46   -60    55   0.02050 -1.0 2.0
   48    46   -60    55   0.25250  1.0 3.0
   48    46    60    62   0.58650  1.0 1.0
   48    46    60    62   0.12600 -1.0 2.0
   48    46    60    62   0.33350  1.0 3.0
   48    49    53    54   3.62500 -1.0 2.0
   48    49    53    58   3.62500 -1.0 2.0
   48    49    68    66   3.62500 -1.0 2.0
   48    49    68    69   3.62500 -1.0 2.0
   48    50    55    56   0.15000  1.0 3.0
   48    50    55    57   0.15000  1.0 3.0
   48    50   -55    60   1.53400  1.0 1.0
   48    50   -55    60  -0.09950 -1.0 2.0
   48    50   -55    60   0.05700  1.0 3.0
   49    48    50    51   0.43200  1.0 3.0
   49    48    50    52   0.43200  1.0 3.0
   49    48    50    55  -0.03700  1.0 1.0
   49    48    50    55   0.37200 -1.0 2.0
   49    48    50    55  -0.47300  1.0 3.0
   49    53    58    59   3.62500 -1.0 2.0
   49    53    58    61   3.62500 -1.0 2.0
   53    49    68    66   3.62500 -1.0 2.0
   53    49    68    69   3.62500 -1.0 2.0
   53    58   -61    66   3.62500 -1.0 2.0
   53    58    61    67   3.62500 -1.0 2.0
   54    53    58    59   3.62500 -1.0 2.0
   54    53    58    61   3.62500 -1.0 2.0
   58    61    66    68   3.62500 -1.0 2.0
   58    61    66    70   3.62500 -1.0 2.0
   58    61    67    71   1.63200 -1.0 2.0
   59    58    61    66   3.62500 -1.0 2.0
   59    58    61    67   3.62500 -1.0 2.0
   61    66   -68    49   3.62500 -1.0 2.0
   61    66    68    69   3.62500 -1.0 2.0
   61    66    70    75   1.63200 -1.0 2.0
   61    67    71    72   0.08050  1.0 3.0
   61    67    71    73   0.08050  1.0 3.0
   61    67    71    74   0.08050  1.0 3.0
   66    61    67    71   1.63200 -1.0 2.0
   66    70    75    76   0.08050  1.0 3.0
   66    70    75    77   0.08050  1.0 3.0
   66    70    75    78   0.08050  1.0 3.0
   68    49    53    54   3.62500 -1.0 2.0
   68    49   -53    58   3.62500 -1.0 2.0
   68    66    70    75   1.63200 -1.0 2.0
   70    66    68    49   3.62500 -1.0 2.0
   70    66    68    69   3.62500 -1.0 2.0
   67    61    66    68   3.62500 -1.0 2.0
   67    61    66    70   3.62500 -1.0 2.0
   50    48    49    53   0.04150 -1.0 2.0
   50    48    49    68   0.04150 -1.0 2.0
   50    55   -60    46   0.23450  1.0 1.0
   50    55   -60    46   0.02050 -1.0 2.0
   50    55   -60    46   0.25250  1.0 3.0
   50    55    60    62   0.58650  1.0 1.0
   50    55    60    62   0.12600 -1.0 2.0
   50    55    60    62   0.33350  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    57   0.15000  1.0 3.0
   51    50    55    60   0.15000  1.0 3.0
   52    50    55    56   0.15000  1.0 3.0
   52    50    55    57   0.15000  1.0 3.0
   52    50    55    60   0.15000  1.0 3.0
   55    60    62    63   0.28000  1.0 3.0
   55    60    62    64   0.28000  1.0 3.0
   55    60    62    65   0.28000  1.0 3.0
   56    55    60    46   0.28000  1.0 3.0
   56    55    60    62   0.28000  1.0 3.0
   57    55    60    46   0.28000  1.0 3.0
   57    55    60    62   0.28000  1.0 3.0
   60    46    48    33   1.53400  1.0 1.0
   60    46    48    33  -0.09950 -1.0 2.0
   60    46    48    33   0.05700  1.0 3.0
   60    46    48    49   0.83750  1.0 1.0
   60    46    48    49   0.32200 -1.0 2.0
   60    46    48    49   0.70600  1.0 3.0
   60    46   -48    50   1.53400  1.0 1.0
   60    46   -48    50  -0.09950 -1.0 2.0
   60    46   -48    50   0.05700  1.0 3.0
IPHI
    8     5     7     9  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    35    37  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   53    68    49    48   4.00000 -1.0 2.0
   58    54    53    49   1.10000 -1.0 2.0
   61    59    58    53   1.10000 -1.0 2.0
   66    67    61    58   4.00000 -1.0 2.0
   68    70    66    61   4.00000 -1.0 2.0
   66    69    68    49   1.10000 -1.0 2.0
END
