* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    141    227     413
    1     0 S   NP   _N1_     1    29.29857    93.41689   -24.12374
    2     1 S   H    _HN1     2     1.02781   111.41278   -82.19600
    3     1 S   H    _H1_     3     1.02955    85.20192    25.64567
    4     1 S   H    _H2_     4     1.02830    22.44479  -167.29718
    5     1 S   CT   _CA1     5     1.50113   125.08287   137.28061
    6     5 S   HC   _HA1     6     1.09573   105.21897    78.79580
    7     5 S   CO3  _C1_     7     1.53793   112.41014   -41.45702
    8     7 S   O2Z  _O11     8     1.26370   115.00131   -43.36081
    9     7 S   O2Z  _O12     9     1.26236   114.94454   135.79611
   10     5 S   CT   _CB1    10     1.53091   107.43321  -163.22991
   11    10 S   HC   HB11    11     1.09829   109.39310   -49.97060
   12    10 S   HC   HB12    12     1.09818   110.43038    66.62697
   13    10 S   CT   _CG1    13     1.52996   112.61354  -170.98550
   14    13 S   HC   HG11    14     1.09587   110.55227   -64.44236
   15    13 S   HC   HG12    15     1.09663   109.88804    54.79784
   16    13 S   C    _CD1    16     1.51780   112.27172   175.23359
   17    16 S   O    _OE1    17     1.22752   123.32245     3.36883
   18    16 S   N    _N2_    18     1.38655   111.67607  -176.87450
   19    18 S   H    _HN2    19     1.01605   119.10204     0.40348
   20    18 S   CT1  _CA2    20     1.46044   123.13562   178.77092
   21    20 S   HC   _HA2    21     1.09543   109.04878   -10.88568
   22    20 S   C    _C2_    22     1.53430   108.62313  -125.71676
   23    22 S   O    _O2_    23     1.23028   122.32305  -149.29558
   24    20 S   CT   _CB2    32     1.53407   111.99135   111.64026
   25    24 S   HC   HB21    33     1.09664   109.40659    62.73392
   26    24 S   HC   HB22    34     1.09492   110.83139   179.70792
   27    22 S   N    _N3_    24     1.38356   113.48203    38.33174
   28    27 S   H    _HN3    25     1.01643   119.48745    -3.73837
   29    24 S   S    _SG2    35     1.83090   114.62701   -56.54837
   30    27 S   CT   _CA3    26     1.45286   123.16015   176.89966
   31    30 S   HC   HA31    27     1.09552   107.57320   -62.92469
   32    30 S   HC   HA32    28     1.09558   107.90301    53.49104
   33    29 S   CT   _C23    36     1.82700   100.73969   -70.31639
   34    33 S   HC   _H3_    37     1.09415   109.85249    38.74723
   35    30 S   CO3  _C3_    29     1.52943   114.09798   175.45675
   36    35 S   O2Z  _O31    30     1.26372   116.03576    -0.00000
   37    35 S   O2Z  _O32    31     1.26424   114.42095  -179.97202
   38    33 S   CO4  _C21    38     1.51765   111.40779   -80.79994
   39    38 S   O    _O26    39     1.22653   124.21273    15.47376
   40    38 S   CA   _C10    40     1.48899   116.18397  -167.97272
   41    40 S   CA   _C8_    41     1.39926   119.33272    17.30866
   42    41 S   CA   _C5_    42     1.40105   120.27056  -177.78530
   43    42 S   HA   _H31    43     1.08866   119.93464  -179.92867
   44    41 S   CO4  _C20    74     1.48425   121.17564     3.90525
   45    44 S   O    _O25    75     1.22702   120.81933  -175.82008
   46    42 S   CA   _C13    44     1.40307   120.99964    -0.38715
   47    33 S   CT   _C22    76     1.51993   108.30336   158.65702
   48    47 S   HC   _H34    77     1.09726   112.45694    59.45323
   49    47 S   HC   _H35    78     1.09706   110.19905   -61.77712
   50    46 S   CA   _C11    45     1.40997   119.13240    -0.40974
   51    46 S   CT   _C25    70     1.50569   118.92541  -179.96044
   52    51 S   HC   _H40    71     1.09457   110.38429   116.27571
   53    51 S   HC   _H41    72     1.09461   110.53172  -122.27167
   54    51 S   HC   _H42    73     1.09533   111.54629    -3.12092
   55    40 S   CA   _C15    46     1.40534   121.58296  -161.42237
   56    50 S   CM   _C17    49     1.47804   120.77163  -179.60733
   57    55 S   OH   _O28    47     1.37407   122.01175    -1.29754
   58    57 S   HO   _H44    48     0.97358   109.33350    -3.36156
   59    56 S   CM   _C16    50     1.33832   119.07286    91.43474
   60    59 S   HC   _H33    51     1.08631   121.65741    -0.30519
   61    59 S   CO4  _C19    52     1.47564   122.41532   179.66898
   62    61 S   O    _O24    53     1.22545   120.03455   179.51061
   63    61 S   CA   _C9_    54     1.47796   118.25481    -0.48859
   64    63 S   CA   _C7_    55     1.39775   119.57131     0.26541
   65    64 S   CA   _C4_    56     1.40332   120.23909   180.00000
   66    65 S   HA   _H30    57     1.08828   120.36955  -179.54372
   67    56 S   CO4  _C18    68     1.48663   120.15501   -89.12937
   68    67 S   O    _O23    69     1.22611   121.25471     0.94915
   69    65 S   CA   _C12    58     1.39976   120.60113     0.52115
   70    69 S   CA   _C6_    59     1.39771   119.05544    -1.22669
   71    70 S   HA   _H32    60     1.08789   120.02097  -178.84716
   72    69 S   CT   _C24    64     1.49932   120.43316  -178.50852
   73    72 S   HC   _H37    65     1.09432   109.99669    87.72856
   74    72 S   HC   _H38    66     1.09511   110.94585  -151.78642
   75    72 S   HC   _H39    67     1.09511   110.89553   -32.78031
   76    63 S   CA   _C14    61     1.40227   121.42634  -179.95154
   77    76 S   OH   _O27    62     1.36930   123.43992    -0.13848
   78    77 S   HO   _H43    63     0.97384   108.99618     0.22117
  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   9   5   4   3
  11   7   2   1   1  11   4  12  12  12   4   6   3  10   2   1
   1  14   5   2   1   1   5  10   1   1   8   4   8   3  11   9
  11   4   3   1   8   8   3   4   2   1   1   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    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    47    48    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    55    44    45    47    48    49  
   38    39    40    44    47    48    49  
   36    37  
   37  
    0  
   39    40    41    42    50    55    57    44    47    48    49  
   40    41    55    47  
   41    42    43    46    50    55    57    58    56    44    45    47  
   42    43    46    50    55    57    51    44    45    47    48    49  
   43    46    50    55    56    51    52    53    54    44    45    47  
   46    50    51    44  
   45    47    48    49    46    55  
   47    48    49  
   50    55    57    56    59    67    51    52    53    54  
   48    49  
   49  
    0  
   55    57    58    56    59    60    61    64    67    68    51    52    53    54  
   52    53    54    55    56  
   53    54  
   54  
    0  
   57    58    56    59    67  
   59    60    61    62    63    64    65    67    68    57  
   58  
    0  
   60    61    62    63    64    76    67    68  
   61    62    63    67  
   62    63    64    65    70    76    77    67  
   63    64    76  
   64    65    66    69    70    71    76    77    78    67    68  
   65    66    69    70    76    77    72    67    68  
   66    69    70    71    76    72    73    74    75    67    68  
   69    70    72    67  
   68    69    76  
    0  
   70    71    76    77    72    73    74    75  
   71    76    77    78    72    73    74    75  
   76    77    72  
   73    74    75    76  
   74    75  
   75  
    0  
   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   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   77   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   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    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  1.522
   33    47   268.000  1.529
   38    39   570.000  1.229
   38    40   310.000  1.470
   40    41   469.000  1.400
   40    55   469.000  1.400
   41    42   469.000  1.400
   41    44   310.000  1.470
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    50   469.000  1.400
   46    51   317.000  1.510
   50    55   469.000  1.400
   50    56   320.000  1.460
   55    57   450.000  1.364
   57    58   553.000  0.945
   56    59   549.000  1.340
   56    67   320.000  1.462
   59    60   340.000  1.080
   59    61   320.000  1.462
   61    62   570.000  1.229
   61    63   310.000  1.470
   63    64   469.000  1.400
   63    76   469.000  1.400
   64    65   469.000  1.400
   64    67   310.000  1.470
   65    66   367.000  1.080
   65    69   469.000  1.400
   69    70   469.000  1.400
   69    72   317.000  1.510
   70    71   367.000  1.080
   70    76   469.000  1.400
   76    77   450.000  1.364
   77    78   553.000  0.945
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   67    68   570.000  1.229
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   44    45   570.000  1.229
   44    47   317.000  1.522
   47    48   340.000  1.090
   47    49   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  110.18000
   29    33    47    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  115.47100
   33    47    44    63.00000  111.10000
   33    47    48    37.50000  110.70000
   33    47    49    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    40    41    60.00000  119.52600
   38    40    55    60.00000  119.52600
   40    38    39    75.00000  123.78400
   40    41    42    63.00000  120.00000
   40    41    44    60.00000  119.52600
   40    55    50    63.00000  120.00000
   40    55    57    70.00000  120.00000
   41    42    43    35.00000  120.00000
   41    42    46    63.00000  120.00000
   41    44    45    75.00000  123.78400
   41    44    47    65.00000  115.47100
   42    46    50    63.00000  120.00000
   42    46    51    70.00000  120.00000
   46    42    43    35.00000  120.00000
   46    50    55    63.00000  120.00000
   46    50    56    60.00000  118.70000
   46    51    52    35.00000  109.50000
   46    51    53    35.00000  109.50000
   46    51    54    35.00000  109.50000
   50    55    57    70.00000  120.00000
   50    56    59    60.00000  123.66000
   50    56    67    60.00000  124.00000
   55    40    41    63.00000  120.00000
   55    57    58    35.00000  113.00000
   56    50    55    60.00000  118.70000
   56    59    60    35.00000  120.00000
   56    59    61    65.00000  118.96000
   56    67    64    65.00000  117.02400
   56    67    68    80.00000  123.72100
   59    61    62    80.00000  123.72100
   59    61    63    65.00000  117.02400
   61    59    60    40.00000  117.72500
   61    63    64    60.00000  119.52600
   61    63    76    60.00000  119.52600
   63    61    62    75.00000  123.78400
   63    64    65    63.00000  120.00000
   63    64    67    60.00000  119.52600
   63    76    70    63.00000  120.00000
   63    76    77    70.00000  120.00000
   64    65    66    35.00000  120.00000
   64    65    69    63.00000  120.00000
   64    67    68    75.00000  123.78400
   65    69    70    63.00000  120.00000
   65    69    72    70.00000  120.00000
   69    65    66    35.00000  120.00000
   69    70    71    35.00000  120.00000
   69    70    76    63.00000  120.00000
   69    72    73    35.00000  109.50000
   69    72    74    35.00000  109.50000
   69    72    75    35.00000  109.50000
   70    76    77    70.00000  120.00000
   76    63    64    63.00000  120.00000
   76    70    71    35.00000  120.00000
   76    77    78    35.00000  113.00000
   72    69    70    70.00000  120.00000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   67    56    59    65.00000  118.96000
   67    64    65    60.00000  119.52600
   51    46    50    70.00000  120.00000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   44    41    42    60.00000  119.52600
   44    47    48    35.00000  109.50000
   44    47    49    35.00000  109.50000
   47    33    34    37.50000  110.70000
   47    33    38    63.00000  111.10000
   47    44    45    80.00000  120.40000
   49    47    48    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    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    47    44   0.56750  1.0 1.0
   29    33    47    44  -0.07550 -1.0 2.0
   29    33    47    44   0.20000  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    49   0.15000  1.0 3.0
   33    38    40    41   2.26350  1.0 1.0
   33    38    40    41   0.76750 -1.0 2.0
   33    38    40    41   0.22500  1.0 3.0
   33    38    40    55   2.26350  1.0 1.0
   33    38    40    55   0.76750 -1.0 2.0
   33    38    40    55   0.22500  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    47    44  -0.11250  1.0 3.0
   34    33    47    48   0.15000  1.0 3.0
   34    33    47    49   0.15000  1.0 3.0
   38    33    47    44   0.11950  1.0 1.0
   38    33    47    44   0.20300 -1.0 2.0
   38    33    47    44  -0.70800  1.0 3.0
   38    33    47    48  -0.11250  1.0 3.0
   38    33    47    49  -0.11250  1.0 3.0
   38    40    41    42   3.62500 -1.0 2.0
   38    40   -41    44   3.62500 -1.0 2.0
   38    40    55    50   3.62500 -1.0 2.0
   38    40    55    57   3.62500 -1.0 2.0
   39    38    40    41   1.05000 -1.0 2.0
   39    38    40    55   1.05000 -1.0 2.0
   40    41    42    43   3.62500 -1.0 2.0
   40    41    42    46   3.62500 -1.0 2.0
   40    41    44    45   1.05000 -1.0 2.0
   40    41    44    47   2.26350  1.0 1.0
   40    41    44    47   0.76750 -1.0 2.0
   40    41    44    47   0.22500  1.0 3.0
   40    55    57    58   0.84100 -1.0 2.0
   41    40    55    50   3.62500 -1.0 2.0
   41    40    55    57   3.62500 -1.0 2.0
   41    42   -46    50   3.62500 -1.0 2.0
   41    42    46    51   3.62500 -1.0 2.0
   41    44   -47    33   0.05850 -1.0 2.0
   41    44   -47    33   0.17250  1.0 3.0
   41    44    47    48   0.00000  1.0 1.0
   41    44    47    49   0.00000  1.0 1.0
   42    41    44    45   1.05000 -1.0 2.0
   42    41    44    47   2.26350  1.0 1.0
   42    41    44    47   0.76750 -1.0 2.0
   42    41    44    47   0.22500  1.0 3.0
   42    46    50    55   3.62500 -1.0 2.0
   42    46    50    56   3.62500 -1.0 2.0
   42    46    51    52   0.00000  1.0 1.0
   42    46    51    53   0.00000  1.0 1.0
   42    46    51    54   0.00000  1.0 1.0
   43    42    46    50   3.62500 -1.0 2.0
   43    42    46    51   3.62500 -1.0 2.0
   46    50   -55    40   3.62500 -1.0 2.0
   46    50    55    57   3.62500 -1.0 2.0
   46    50    56    59   0.15800  1.0 1.0
   46    50    56    59   1.85350 -1.0 2.0
   46    50    56    59  -0.48700  1.0 3.0
   46    50    56    67  -0.01750  1.0 1.0
   46    50    56    67  -0.32000 -1.0 2.0
   46    50    56    67   0.00600  1.0 3.0
   50    46    51    52   0.00000  1.0 1.0
   50    46    51    53   0.00000  1.0 1.0
   50    46    51    54   0.00000  1.0 1.0
   50    55    57    58   0.84100 -1.0 2.0
   50    56    59    60   7.00000 -1.0 2.0
   50    56    59    61   7.00000 -1.0 2.0
   50    56    67    64   1.50000 -1.0 2.0
   50    56    67    68  -0.52200  1.0 1.0
   50    56    67    68   0.82950 -1.0 2.0
   55    40   -41    42   3.62500 -1.0 2.0
   55    40    41    44   3.62500 -1.0 2.0
   55    50    56    59   0.15800  1.0 1.0
   55    50    56    59   1.85350 -1.0 2.0
   55    50    56    59  -0.48700  1.0 3.0
   55    50    56    67  -0.01750  1.0 1.0
   55    50    56    67  -0.32000 -1.0 2.0
   55    50    56    67   0.00600  1.0 3.0
   56    50    55    40   3.62500 -1.0 2.0
   56    50    55    57   3.62500 -1.0 2.0
   56    59    61    62   1.00000 -1.0 2.0
   56    59    61    63  -1.65800  1.0 1.0
   56    59    61    63   0.77650 -1.0 2.0
   59    56    67    64  -1.65800  1.0 1.0
   59    56    67    64   0.77650 -1.0 2.0
   59    56    67    68   1.00000 -1.0 2.0
   59    61   -63    64  -0.11500  1.0 1.0
   59    61   -63    64   1.10450 -1.0 2.0
   59    61   -63    64  -0.48050  1.0 3.0
   59    61    63    76  -0.11500  1.0 1.0
   59    61    63    76   1.10450 -1.0 2.0
   59    61    63    76  -0.48050  1.0 3.0
   60    59    61    62   0.00000  1.0 1.0
   60    59    61    63   1.64500 -1.0 2.0
   61    63    64    65   3.62500 -1.0 2.0
   61    63    64    67   3.62500 -1.0 2.0
   61    63    76    70   3.62500 -1.0 2.0
   61    63    76    77   3.62500 -1.0 2.0
   62    61    63    64   1.05000 -1.0 2.0
   62    61    63    76   1.05000 -1.0 2.0
   63    64    65    66   3.62500 -1.0 2.0
   63    64    65    69   3.62500 -1.0 2.0
   63    64   -67    56  -0.11500  1.0 1.0
   63    64   -67    56   1.10450 -1.0 2.0
   63    64   -67    56  -0.48050  1.0 3.0
   63    64    67    68   1.05000 -1.0 2.0
   63    76    77    78   0.84100 -1.0 2.0
   64    63    76    70   3.62500 -1.0 2.0
   64    63    76    77   3.62500 -1.0 2.0
   64    65   -69    70   3.62500 -1.0 2.0
   64    65    69    72   3.62500 -1.0 2.0
   65    64    67    56  -0.11500  1.0 1.0
   65    64    67    56   1.10450 -1.0 2.0
   65    64    67    56  -0.48050  1.0 3.0
   65    64    67    68   1.05000 -1.0 2.0
   65    69    70    71   3.62500 -1.0 2.0
   65    69    70    76   3.62500 -1.0 2.0
   65    69    72    73   0.00000  1.0 1.0
   65    69    72    74   0.00000  1.0 1.0
   65    69    72    75   0.00000  1.0 1.0
   66    65    69    70   3.62500 -1.0 2.0
   66    65    69    72   3.62500 -1.0 2.0
   69    70   -76    63   3.62500 -1.0 2.0
   69    70    76    77   3.62500 -1.0 2.0
   70    69    72    73   0.00000  1.0 1.0
   70    69    72    74   0.00000  1.0 1.0
   70    69    72    75   0.00000  1.0 1.0
   70    76    77    78   0.84100 -1.0 2.0
   71    70    76    63   3.62500 -1.0 2.0
   71    70    76    77   3.62500 -1.0 2.0
   76    63   -64    65   3.62500 -1.0 2.0
   76    63    64    67   3.62500 -1.0 2.0
   72    69    70    71   3.62500 -1.0 2.0
   72    69    70    76   3.62500 -1.0 2.0
   67    56    59    60   7.00000 -1.0 2.0
   67    56   -59    61   7.00000 -1.0 2.0
   67    64    65    66   3.62500 -1.0 2.0
   67    64    65    69   3.62500 -1.0 2.0
   51    46    50    55   3.62500 -1.0 2.0
   51    46    50    56   3.62500 -1.0 2.0
   44    41    42    43   3.62500 -1.0 2.0
   44    41    42    46   3.62500 -1.0 2.0
   45    44    47    33   0.30150 -1.0 2.0
   45    44    47    48   0.00000  1.0 1.0
   45    44    47    49   0.00000  1.0 1.0
   47    33    38    39   0.30150 -1.0 2.0
   47    33   -38    40   0.05850 -1.0 2.0
   47    33   -38    40   0.17250  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    40    38    39  10.50000 -1.0 2.0
   41    55    40    38   4.00000 -1.0 2.0
   42    44    41    40   4.00000 -1.0 2.0
   46    43    42    41   1.10000 -1.0 2.0
   50    51    46    42   4.00000 -1.0 2.0
   55    56    50    46   4.00000 -1.0 2.0
   50    57    55    40   4.00000 -1.0 2.0
   50    67    56    59   1.10000 -1.0 2.0
   61    60    59    56   1.10000 -1.0 2.0
   59    63    61    62  10.50000 -1.0 2.0
   64    76    63    61   4.00000 -1.0 2.0
   65    67    64    63   4.00000 -1.0 2.0
   69    66    65    64   1.10000 -1.0 2.0
   70    72    69    65   4.00000 -1.0 2.0
   76    71    70    69   1.10000 -1.0 2.0
   70    77    76    63   4.00000 -1.0 2.0
   56    64    67    68  10.50000 -1.0 2.0
   41    47    44    45  10.50000 -1.0 2.0
END
