* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    144    235     429
    1     0 S   NP   _N1_     1    28.55313    98.33716   -20.18883
    2     1 S   H    _HN1     2     1.02955    68.04985     2.26831
    3     1 S   H    _H1_     3     1.02832    51.47863   138.82411
    4     1 S   H    _H2_     4     1.02774    89.60538  -107.70378
    5     1 S   CT   _CA1     5     1.50122   156.57615    93.13131
    6     5 S   HC   _HA1     6     1.09586   105.20902    96.01885
    7     5 S   CO3  _C1_     7     1.53804   112.22674   -24.02907
    8     7 S   O2Z  _O11     8     1.26362   114.99567   -47.47306
    9     7 S   O2Z  _O12     9     1.26241   114.91160   131.42214
   10     5 S   CT   _CB1    10     1.53100   107.37617  -146.26300
   11    10 S   HC   HB11    11     1.09819   109.28684   -51.52745
   12    10 S   HC   HB12    12     1.09809   110.52182    65.06039
   13    10 S   CT   _CG1    13     1.52931   112.52887  -172.63121
   14    13 S   HC   HG11    14     1.09561   110.30793   -64.25960
   15    13 S   HC   HG12    15     1.09641   109.92212    54.84106
   16    13 S   C    _CD1    16     1.51819   112.48657   174.93794
   17    16 S   O    _OE1    17     1.22739   123.33261    -4.30234
   18    16 S   N    _N2_    18     1.38486   111.62303   176.21224
   19    18 S   H    _HN2    19     1.01664   118.70624     2.86157
   20    18 S   CT1  _CA2    20     1.45774   123.15583   177.22907
   21    20 S   HC   _HA2    21     1.09706   109.11137    20.96653
   22    20 S   C    _C2_    22     1.52882   106.81755   -96.16110
   23    22 S   O    _O2_    23     1.22980   123.03133   -27.30392
   24    20 S   CT   _CB2    32     1.53165   112.04011   144.30177
   25    24 S   HC   HB21    33     1.09374   109.74562    55.40746
   26    24 S   HC   HB22    34     1.09542   110.45115   173.00636
   27    22 S   N    _N3_    24     1.38480   112.55706   155.59520
   28    27 S   H    _HN3    25     1.01655   120.37943    -2.25203
   29    24 S   S    _SG2    35     1.83143   111.16397   -68.34366
   30    27 S   CT   _CA3    26     1.45358   122.48093   178.54142
   31    30 S   HC   HA31    27     1.09566   107.82363   -55.69613
   32    30 S   HC   HA32    28     1.09562   107.60009    60.64241
   33    29 S   CT   _C12    36     1.87825   101.94418   129.95771
   34    30 S   CO3  _C3_    29     1.52890   114.31211  -177.58087
   35    34 S   O2Z  _O31    30     1.26337   116.05163     0.84511
   36    34 S   O2Z  _O32    31     1.26434   114.41548  -179.20500
   37    33 S   CO4  _C11    37     1.54092   105.58137   -60.72165
   38    37 S   O    _O34    38     1.23042   121.11188   -54.93300
   39    33 S   CT   _C23    74     1.55524   109.19905  -175.29410
   40    39 S   HC   _H5_    75     1.09805   109.94893    56.66027
   41    37 S   CA   _C10    39     1.49234   119.33792   127.64561
   42    39 S   OH   _O38    76     1.43661   108.76650   172.09935
   43    42 S   HO   _H18    77     0.97285   107.74175  -171.68969
   44    41 S   CA   _C9_    40     1.39888   118.95314    19.16989
   45    44 S   CA   _C8_    41     1.39671   120.96708   174.61802
   46    45 S   HA   _H11    42     1.08688   121.19202  -179.80923
   47    44 S   CO4  _C14    53     1.47286   120.25066    -7.10882
   48    47 S   O    _O35    54     1.22564   119.89267   152.90273
   49    45 S   CA   _C7_    43     1.39004   119.54125     1.34756
   50    49 S   HA   _H10    44     1.08666   119.94618   179.42802
   51    33 S   CT   _C13    55     1.54111   110.40135    63.23261
   52    51 S   HC   _H3_    56     1.09850   109.15311   -44.90680
   53    49 S   CA   _C6_    45     1.39589   120.17835     0.37430
   54    53 S   HA   _H9_    46     1.08590   117.37171   178.69015
   55    51 S   CA   _C15    57     1.52149   114.07816    74.45631
   56    41 S   CA   _C5_    47     1.41089   121.54135  -163.91953
   57    55 S   CA   _C16    58     1.40610   121.56492    22.25014
   58    56 S   OS   _O33    48     1.37145   117.37380     6.44187
   59    57 S   CA   _C17    59     1.40971   119.37085   178.52104
   60    59 S   HA   _H12    60     1.08914   119.16358   179.26939
   61    57 S   CT   _C22    72     1.51099   122.57160    -2.94902
   62    61 S   HC   _H4_    73     1.09780   107.66818   131.20972
   63    58 S   CT   _C4_    49     1.42223   117.80628  -173.98099
   64    63 S   HC   _H6_    50     1.09380   107.79967   175.81465
   65    63 S   HC   _H7_    51     1.09497   111.29004    58.01041
   66    63 S   HC   _H8_    52     1.09472   110.98032   -66.63159
   67    59 S   CA   _C18    61     1.39984   121.63208    -0.26980
   68    61 S   OH   _O39    78     1.42740   107.81571  -113.59976
   69    68 S   HO   _H19    79     0.97216   107.79543  -176.85390
   70    67 S   CA   _C19    62     1.39549   118.83647     0.97879
   71    70 S   HA   _H13    63     1.08704   119.71835   178.96561
   72    67 S   CT   _C21    67     1.50056   120.61153   179.00417
   73    72 S   HC   _H15    68     1.09534   111.00960    26.51109
   74    72 S   HC   _H16    69     1.09544   110.68895   146.28116
   75    55 S   CA   _C20    64     1.40790   119.97822  -158.84202
   76    72 S   OH   _O37    70     1.41922   109.03339   -93.63583
   77    76 S   HO   _H17    71     0.97216   107.03643   179.69353
   78    75 S   OH   _O36    65     1.37157   119.01084     1.43436
   79    78 S   HO   _H14    66     0.97220   108.82284  -179.09410
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  19   2   1   1  15   5  14   7  12   6   1  12   9   4   8   3
   5   3   8   3   4   2  12   5  11   4  12   4   5   2   3   2
   1   1   9   1   1   8   3   5   3   2   2   1   1   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    51    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    47    51    52    55    61    39    40    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    44    56    47    48    51    52    55    57    75    61    62    39    40    42    43    68  
   35    36  
   36  
    0  
   38    41    44    45    53    56    58    47    51    52    55    61    39    40    42  
   41    44    56    51    39  
   40    42    43    68    69    41    47    51    52    55    57    59    61    62  
   42    43    68    51    57    61    62  
   44    45    46    49    53    54    56    58    63    47    48    51  
   43    68    51    57    61    62  
   61  
   45    46    49    50    53    56    58    47    48    51    52    55  
   46    49    50    53    54    56    47    48    51  
   49    50    53    47  
   48    51    52    55    57    75    49    56  
   51    52    55  
   50    53    54    56    58  
   53    54    56  
   52    55    57    59    70    75    78    61  
   55    57    75  
   54    56    58    63  
   56    58  
   57    59    60    67    70    71    75    78    79    61    62    68  
   58    63    64    65    66  
   59    60    67    70    75    78    72    61    62    68    69  
   63    64    65    66  
   60    67    70    71    75    72    73    74    76    61    62    68  
   67    70    72    61  
   62    68    69    67    75  
   68    69  
   64    65    66  
   65    66  
   66  
    0  
   70    71    75    78    72    73    74    76    77  
   69  
    0  
   71    75    78    79    72    73    74    76  
   75    78    72  
   73    74    76    77    75  
   74    76    77  
   76    77  
   78    79  
   77  
    0  
   79  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.077900   2.5000   1.7750   0.001000000  -0.843144165
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5000   0.0660   0.197200   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.048000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.048000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   76   3.1200   0.1700  -0.633300   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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    51   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    41   310.000  1.470
   41    44   469.000  1.400
   41    56   469.000  1.400
   44    45   469.000  1.400
   44    47   310.000  1.470
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    50   367.000  1.080
   49    53   469.000  1.400
   53    54   367.000  1.080
   53    56   469.000  1.400
   56    58   450.000  1.364
   58    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   47    48   570.000  1.229
   47    51   317.000  1.522
   51    52   340.000  1.090
   51    55   317.000  1.510
   55    57   469.000  1.400
   55    75   469.000  1.400
   57    59   469.000  1.400
   57    61   317.000  1.510
   59    60   367.000  1.080
   59    67   469.000  1.400
   67    70   469.000  1.400
   67    72   317.000  1.510
   70    71   367.000  1.080
   70    75   469.000  1.400
   75    78   450.000  1.364
   78    79   553.000  0.945
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    76   320.000  1.410
   76    77   553.000  0.945
   61    62   340.000  1.090
   61    39   268.000  1.529
   61    68   320.000  1.410
   39    40   340.000  1.090
   39    42   320.000  1.410
   42    43   553.000  0.945
   68    69   553.000  0.945
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    51    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    41    65.00000  115.47100
   33    51    47    63.00000  111.10000
   33    51    52    37.50000  110.70000
   33    51    55    70.00000  112.17500
   33    39    61    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    42    50.00000  109.50000
   37    41    44    60.00000  119.52600
   37    41    56    60.00000  119.52600
   41    37    38    75.00000  123.78400
   41    44    45    63.00000  120.00000
   41    44    47    60.00000  119.52600
   41    56    53    63.00000  120.00000
   41    56    58    70.00000  120.00000
   44    45    46    35.00000  120.00000
   44    45    49    63.00000  120.00000
   44    47    48    75.00000  123.78400
   44    47    51    65.00000  115.47100
   45    49    50    35.00000  120.00000
   45    49    53    63.00000  120.00000
   49    45    46    35.00000  120.00000
   49    53    54    35.00000  120.00000
   49    53    56    63.00000  120.00000
   53    49    50    35.00000  120.00000
   53    56    58    70.00000  120.00000
   56    41    44    63.00000  120.00000
   56    53    54    35.00000  120.00000
   56    58    63    75.00000  111.00000
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   47    44    45    60.00000  119.52600
   47    51    52    35.00000  109.50000
   47    51    55    70.00000  110.93000
   51    33    37    63.00000  111.10000
   51    47    48    80.00000  120.40000
   51    55    57    70.00000  120.00000
   51    55    75    70.00000  120.00000
   55    51    52    35.00000  109.50000
   55    57    59    63.00000  120.00000
   55    57    61    70.00000  120.00000
   55    75    70    63.00000  120.00000
   55    75    78    70.00000  120.00000
   57    59    60    35.00000  120.00000
   57    59    67    63.00000  120.00000
   57    61    62    35.00000  109.50000
   57    61    39    70.00000  112.17500
   57    61    68    90.00000  112.51600
   59    67    70    63.00000  120.00000
   59    67    72    70.00000  120.00000
   67    59    60    35.00000  120.00000
   67    70    71    35.00000  120.00000
   67    70    75    63.00000  120.00000
   67    72    73    35.00000  109.50000
   67    72    74    35.00000  109.50000
   67    72    76    90.00000  112.51600
   70    75    78    70.00000  120.00000
   75    55    57    63.00000  120.00000
   75    70    71    35.00000  120.00000
   75    78    79    35.00000  113.00000
   72    67    70    70.00000  120.00000
   72    76    77    55.00000  108.50000
   74    72    73    33.00000  107.80000
   76    72    73    35.00000  109.50000
   76    72    74    35.00000  109.50000
   61    57    59    70.00000  120.00000
   61    39    40    37.50000  110.70000
   61    39    42    50.00000  109.50000
   61    68    69    55.00000  108.50000
   39    33    37    63.00000  111.10000
   39    33    51    58.35000  112.70000
   39    61    62    37.50000  110.70000
   39    42    43    55.00000  108.50000
   42    39    40    35.00000  109.50000
   68    61    62    35.00000  109.50000
   68    61    39    50.00000  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    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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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    41   0.65300  1.0 1.0
   29    33    37    41  -0.03850 -1.0 2.0
   29    33    37    41   0.33900  1.0 3.0
   29    33    51    47   0.56750  1.0 1.0
   29    33    51    47  -0.07550 -1.0 2.0
   29    33    51    47   0.20000  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    55   0.56750  1.0 1.0
   29    33    51    55  -0.07550 -1.0 2.0
   29    33    51    55   0.20000  1.0 3.0
   29    33    39    61   0.44750  1.0 1.0
   29    33    39    61  -0.17800 -1.0 2.0
   29    33    39    61   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    37    41    44   2.26350  1.0 1.0
   33    37    41    44   0.76750 -1.0 2.0
   33    37    41    44   0.22500  1.0 3.0
   33    37    41    56   2.26350  1.0 1.0
   33    37    41    56   0.76750 -1.0 2.0
   33    37    41    56   0.22500  1.0 3.0
   33    51    55    57   0.04150 -1.0 2.0
   33    51    55    75   0.04150 -1.0 2.0
   33    39    42    43  -0.11600  1.0 1.0
   33    39    42    43  -0.09450 -1.0 2.0
   33    39    42    43   0.21250  1.0 3.0
   37    33    51    47   0.11950  1.0 1.0
   37    33    51    47   0.20300 -1.0 2.0
   37    33    51    47  -0.70800  1.0 3.0
   37    33    51    52  -0.11250  1.0 3.0
   37    33    51    55   0.56750  1.0 1.0
   37    33    51    55  -0.07550 -1.0 2.0
   37    33    51    55   0.20000  1.0 3.0
   37    33    39    61  -0.95700  1.0 1.0
   37    33    39    61  -0.18200 -1.0 2.0
   37    33    39    61   0.29450  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    42  -0.09450  1.0 1.0
   37    33    39    42  -1.12950 -1.0 2.0
   37    33    39    42   0.54000  1.0 3.0
   37    41    44    45   3.62500 -1.0 2.0
   37    41   -44    47   3.62500 -1.0 2.0
   37    41    56    53   3.62500 -1.0 2.0
   37    41    56    58   3.62500 -1.0 2.0
   38    37    41    44   1.05000 -1.0 2.0
   38    37    41    56   1.05000 -1.0 2.0
   41    44    45    46   3.62500 -1.0 2.0
   41    44    45    49   3.62500 -1.0 2.0
   41    44    47    48   1.05000 -1.0 2.0
   41    44    47    51   2.26350  1.0 1.0
   41    44    47    51   0.76750 -1.0 2.0
   41    44    47    51   0.22500  1.0 3.0
   41    56    58    63   1.63200 -1.0 2.0
   44    41    56    53   3.62500 -1.0 2.0
   44    41    56    58   3.62500 -1.0 2.0
   44    45    49    50   3.62500 -1.0 2.0
   44    45   -49    53   3.62500 -1.0 2.0
   44    47   -51    33   0.05850 -1.0 2.0
   44    47   -51    33   0.17250  1.0 3.0
   44    47    51    52   0.00000  1.0 1.0
   44    47    51    55   0.65300  1.0 1.0
   44    47    51    55  -0.03850 -1.0 2.0
   44    47    51    55   0.33900  1.0 3.0
   45    44    47    48   1.05000 -1.0 2.0
   45    44    47    51   2.26350  1.0 1.0
   45    44    47    51   0.76750 -1.0 2.0
   45    44    47    51   0.22500  1.0 3.0
   45    49    53    54   3.62500 -1.0 2.0
   45    49    53    56   3.62500 -1.0 2.0
   46    45    49    50   3.62500 -1.0 2.0
   46    45    49    53   3.62500 -1.0 2.0
   49    53   -56    41   3.62500 -1.0 2.0
   49    53    56    58   3.62500 -1.0 2.0
   50    49    53    54   3.62500 -1.0 2.0
   50    49    53    56   3.62500 -1.0 2.0
   53    56    58    63   1.63200 -1.0 2.0
   54    53    56    41   3.62500 -1.0 2.0
   54    53    56    58   3.62500 -1.0 2.0
   56    41   -44    45   3.62500 -1.0 2.0
   56    41    44    47   3.62500 -1.0 2.0
   56    58    63    64   0.08050  1.0 3.0
   56    58    63    65   0.08050  1.0 3.0
   56    58    63    66   0.08050  1.0 3.0
   47    44    45    46   3.62500 -1.0 2.0
   47    44    45    49   3.62500 -1.0 2.0
   47    51    55    57   0.04300 -1.0 2.0
   47    51    55    75   0.04300 -1.0 2.0
   48    47    51    33   0.30150 -1.0 2.0
   48    47    51    52   0.00000  1.0 1.0
   48    47    51    55   0.30150 -1.0 2.0
   51    33    37    38   0.30150 -1.0 2.0
   51    33   -37    41   0.05850 -1.0 2.0
   51    33   -37    41   0.17250  1.0 3.0
   51    33    39    61   0.56750  1.0 1.0
   51    33    39    61  -0.07550 -1.0 2.0
   51    33    39    61   0.20000  1.0 3.0
   51    33    39    40   0.15000  1.0 3.0
   51    33    39    42   0.86500  1.0 1.0
   51    33    39    42  -0.17500 -1.0 2.0
   51    33    39    42   0.20800  1.0 3.0
   51    55    57    59   3.62500 -1.0 2.0
   51    55   -57    61   3.62500 -1.0 2.0
   51    55    75    70   3.62500 -1.0 2.0
   51    55    75    78   3.62500 -1.0 2.0
   52    51    55    57   0.00000  1.0 1.0
   52    51    55    75   0.00000  1.0 1.0
   55    57    59    60   3.62500 -1.0 2.0
   55    57    59    67   3.62500 -1.0 2.0
   55    57    61    62   0.00000  1.0 1.0
   55    57    61    39   0.04150 -1.0 2.0
   55    57    61    68   0.14300 -1.0 2.0
   55    57    61    68   0.00300  1.0 3.0
   55    75    78    79   0.84100 -1.0 2.0
   57    55    75    70   3.62500 -1.0 2.0
   57    55    75    78   3.62500 -1.0 2.0
   57    59   -67    70   3.62500 -1.0 2.0
   57    59    67    72   3.62500 -1.0 2.0
   57    61   -39    33  -0.03700  1.0 1.0
   57    61   -39    33   0.37200 -1.0 2.0
   57    61   -39    33  -0.47300  1.0 3.0
   57    61    39    40   0.43200  1.0 3.0
   57    61    39    42   1.13150  1.0 1.0
   57    61    39    42  -1.01400 -1.0 2.0
   57    61    68    69   0.31900  1.0 1.0
   57    61    68    69  -0.11800 -1.0 2.0
   57    61    68    69   0.38750  1.0 3.0
   59    57    61    62   0.00000  1.0 1.0
   59    57    61    39   0.04150 -1.0 2.0
   59    57    61    68   0.14300 -1.0 2.0
   59    57    61    68   0.00300  1.0 3.0
   59    67    70    71   3.62500 -1.0 2.0
   59    67    70    75   3.62500 -1.0 2.0
   59    67    72    73   0.00000  1.0 1.0
   59    67    72    74   0.00000  1.0 1.0
   59    67    72    76   0.14300 -1.0 2.0
   59    67    72    76   0.00300  1.0 3.0
   60    59    67    70   3.62500 -1.0 2.0
   60    59    67    72   3.62500 -1.0 2.0
   67    70   -75    55   3.62500 -1.0 2.0
   67    70    75    78   3.62500 -1.0 2.0
   67    72    76    77   0.31900  1.0 1.0
   67    72    76    77  -0.11800 -1.0 2.0
   67    72    76    77   0.38750  1.0 3.0
   70    67    72    73   0.00000  1.0 1.0
   70    67    72    74   0.00000  1.0 1.0
   70    67    72    76   0.14300 -1.0 2.0
   70    67    72    76   0.00300  1.0 3.0
   70    75    78    79   0.84100 -1.0 2.0
   71    70    75    55   3.62500 -1.0 2.0
   71    70    75    78   3.62500 -1.0 2.0
   75    55   -57    59   3.62500 -1.0 2.0
   75    55    57    61   3.62500 -1.0 2.0
   72    67    70    71   3.62500 -1.0 2.0
   72    67    70    75   3.62500 -1.0 2.0
   73    72    76    77   0.19450  1.0 3.0
   74    72    76    77   0.19450  1.0 3.0
   61    57    59    60   3.62500 -1.0 2.0
   61    57    59    67   3.62500 -1.0 2.0
   61    39    42    43  -0.11600  1.0 1.0
   61    39    42    43  -0.09450 -1.0 2.0
   61    39    42    43   0.21250  1.0 3.0
   62    61    39    33   0.15000  1.0 3.0
   62    61    39    40   0.15000  1.0 3.0
   62    61    39    42   0.23400  1.0 3.0
   62    61    68    69   0.19450  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    41   0.05850 -1.0 2.0
   39    33    37    41   0.17250  1.0 3.0
   39    33    51    47  -0.95700  1.0 1.0
   39    33    51    47  -0.18200 -1.0 2.0
   39    33    51    47   0.29450  1.0 3.0
   39    33    51    52   0.15000  1.0 3.0
   39    33   -51    55  -0.03700  1.0 1.0
   39    33   -51    55   0.37200 -1.0 2.0
   39    33   -51    55  -0.47300  1.0 3.0
   39    61    68    69  -0.11600  1.0 1.0
   39    61    68    69  -0.09450 -1.0 2.0
   39    61    68    69   0.21250  1.0 3.0
   40    39    42    43   0.19450  1.0 3.0
   68    61    39    33   0.86500  1.0 1.0
   68    61    39    33  -0.17500 -1.0 2.0
   68    61    39    33   0.20800  1.0 3.0
   68    61    39    40   0.23400  1.0 3.0
   68    61    39    42   3.75450  1.0 1.0
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
   35    30    34    36  10.50000 -1.0 2.0
   33    41    37    38  10.50000 -1.0 2.0
   44    56    41    37   4.00000 -1.0 2.0
   45    47    44    41   4.00000 -1.0 2.0
   49    46    45    44   1.10000 -1.0 2.0
   53    50    49    45   1.10000 -1.0 2.0
   56    54    53    49   1.10000 -1.0 2.0
   53    58    56    41   4.00000 -1.0 2.0
   44    51    47    48  10.50000 -1.0 2.0
   57    75    55    51   4.00000 -1.0 2.0
   59    61    57    55   4.00000 -1.0 2.0
   67    60    59    57   1.10000 -1.0 2.0
   70    72    67    59   4.00000 -1.0 2.0
   75    71    70    67   1.10000 -1.0 2.0
   70    78    75    55   4.00000 -1.0 2.0
END
