* LIGAND DATABASE FILE (OPLS2005)
*
001      74    77    144    230     423
    1     0 S   NP   _N1_     1    28.74900    95.94283   -23.65434
    2     1 S   H    _HN1     2     1.02950    73.32446    16.83480
    3     1 S   H    _H1_     3     1.02828    36.04568   175.68303
    4     1 S   H    _H2_     4     1.02786   107.43675   -87.67828
    5     1 S   CT   _CA1     5     1.50111   135.86234   119.18745
    6     5 S   HC   _HA1     6     1.09573   105.19766    90.89379
    7     5 S   CO3  _C1_     7     1.53788   112.46217   -29.34753
    8     7 S   O2Z  _O11     8     1.26372   115.00683   -42.64217
    9     7 S   O2Z  _O12     9     1.26240   114.94699   136.49453
   10     5 S   CT   _CB1    10     1.53080   107.42049  -151.12376
   11    10 S   HC   HB11    11     1.09833   109.37297   -49.74112
   12    10 S   HC   HB12    12     1.09813   110.44739    66.86679
   13    10 S   CT   _CG1    13     1.52990   112.60673  -170.71854
   14    13 S   HC   HG11    14     1.09581   110.63105   -65.62056
   15    13 S   HC   HG12    15     1.09670   109.78569    53.61073
   16    13 S   C    _CD1    16     1.51801   112.22371   174.06548
   17    16 S   O    _OE1    17     1.22731   123.28402     6.94082
   18    16 S   N    _N2_    18     1.38654   111.67098  -173.15295
   19    18 S   H    _HN2    19     1.01578   118.94285     1.68818
   20    18 S   CT1  _CA2    20     1.46198   123.38762   177.43296
   21    20 S   HC   _HA2    21     1.09738   109.36596     2.83614
   22    20 S   C    _C2_    22     1.53555   108.59925  -112.64247
   23    22 S   O    _O2_    23     1.23059   122.29256  -147.75299
   24    20 S   CT   _CB2    32     1.53301   111.59602   124.86629
   25    24 S   HC   HB21    33     1.09516   110.12362    56.46486
   26    24 S   HC   HB22    34     1.09526   110.09143   175.49963
   27    22 S   N    _N3_    24     1.38332   113.70626    39.67785
   28    27 S   H    _HN3    25     1.01582   119.58972    -3.26471
   29    24 S   S    _SG2    35     1.82730   111.53403   -64.91288
   30    27 S   CT   _CA3    26     1.45283   123.20812   177.13857
   31    30 S   HC   HA31    27     1.09550   107.50411   -64.73637
   32    30 S   HC   HA32    28     1.09558   107.99361    51.70284
   33    29 S   CT   _C18    36     1.84522    99.39737  -179.20746
   34    33 S   HC   _H3_    37     1.09613   108.97522    31.78779
   35    30 S   CO3  _C3_    29     1.52960   114.08265   173.70530
   36    35 S   O2Z  _O31    30     1.26376   116.07448    -0.71079
   37    35 S   O2Z  _O32    31     1.26429   114.41010   179.35169
   38    33 S   CT   _C9_    38     1.54117   110.06185   151.72996
   39    38 S   HC   _H27    39     1.09926   110.36178    69.48294
   40    33 S   CT   _C16    71     1.53218   106.86127   -85.76193
   41    40 S   HC   _H33    72     1.09608   111.63212   -66.13357
   42    40 S   HC   _H34    73     1.09310   111.49468   173.65214
   43    40 S   HC   _H35    74     1.09548   111.86095    55.12154
   44    38 S   CO4  _C6_    40     1.51632   114.30329  -172.31806
   45    44 S   O    _O16    41     1.22096   126.47802   -36.66221
   46    44 S   OS   _O18    42     1.36684   110.42501   147.52956
   47    46 S   CT   _C15    43     1.41992   110.35998   -14.21454
   48    47 S   CM   _C5_    44     1.48961   112.22744   129.60960
   49    48 S   HC   _H25    45     1.08077   124.06045   -66.09433
   50    38 S   CT   _C12    60     1.52438   116.05601   -54.74327
   51    50 S   HC   _H30    61     1.09703   111.31568    91.69948
   52    48 S   CM   _C4_    46     1.33739   111.72177   113.91519
   53    52 S   HC   _H24    47     1.08145   123.65715  -178.89962
   54    52 S   CT   _C8_    48     1.50468   112.46396    -2.60789
   55    54 S   HC   _H26    49     1.09807   107.20720  -106.10753
   56    54 S   CT   _C10    50     1.53275   116.70125   130.43832
   57    56 S   HC   _H28    51     1.10086   107.99421   176.74105
   58    56 S   CO   _C14    52     1.54145   113.09865   -64.89860
   59    58 S   HC   _H32    53     1.09489   111.17300    96.63759
   60    56 S   CO4  _C7_    64     1.52223   110.79205    61.48967
   61    60 S   O    _O17    65     1.22349   125.21360  -106.61768
   62    58 S   OS   _O20    54     1.42629   113.55996   -22.95169
   63    58 S   OH   _O21    62     1.42666   108.34915  -146.02765
   64    63 S   HO   _H40    63     0.97232   106.74772  -155.26646
   65    60 S   OS   _O22    66     1.36665   109.40458    72.92311
   66    62 S   CO   _C13    55     1.42414   114.11923   -36.18789
   67    66 S   HC   _H31    56     1.09519   109.92878   -60.75412
   68    65 S   CT   _C17    67     1.43061   115.27694  -179.53606
   69    68 S   HC   _H36    68     1.09327   108.10273  -179.98022
   70    68 S   HC   _H37    69     1.09423   110.27196    61.35473
   71    68 S   HC   _H38    70     1.09421   110.29641   -61.27300
   72    47 S   CT   _C11    57     1.53125   110.44884  -114.53816
   73    72 S   HC   _H29    58     1.09750   111.13066    12.36118
   74    66 S   OS   _O19    59     1.43736   110.59987   179.01603
  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
  14   8   2   1   1  15   8   5   2   1   1   8   3  11  15  12
   5   9   3  10   4  15   7  13   8  11   5   9   2   7   2   1
   4   4   3   3   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    44    50    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    44    45    46    47    74    50    51    40    41    42    43  
   38    39    44    50    40    41    42    43  
   36    37  
   37  
    0  
   39    44    45    46    47    48    66    72    74    50    51    40    41    42    43  
   44    45    46    47    74    50    51    40  
   41    42    43    44    50  
   42    43  
   43  
    0  
   45    46    47    48    72    74    50    51  
   46    47    50  
   47    48    49    52    54    66    72    73    74    50    51  
   48    49    52    53    54    55    56    62    66    67    72    73    74    50    51  
   49    52    53    54    55    56    66    72    73    74    50    51  
   52    53    54    72    50  
   51    52    54    62    66    67    72    73    74  
   66    72    74  
   53    54    55    56    57    58    66    72    73    60  
   54    55    56    72  
   55    56    57    58    59    62    66    67    72    73    74    63    60    61    65  
   56    57    58    66    72    73    60  
   57    58    59    62    66    72    73    63    64    60    61    65    68  
   58    59    62    72    63    60    61    65  
   59    62    66    67    72    74    63    64    60    61    65  
   62    66    63    64    60  
   61    65    68    69    70    71    62    63    72  
   65    68  
   66    67    72    73    74    63    64  
   64    66  
    0  
   68    69    70    71  
   67    72    73    74  
   72    73    74  
   69    70    71  
   70    71  
   71  
    0  
   73    74  
   74  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5000   0.0660   0.319000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   62   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   66   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    44   317.000  1.522
   38    50   268.000  1.529
   44    45   570.000  1.229
   44    46   214.000  1.327
   46    47   320.000  1.410
   47    48   317.000  1.510
   47    72   268.000  1.529
   47    50   268.000  1.529
   48    49   340.000  1.080
   48    52   549.000  1.340
   52    53   340.000  1.080
   52    54   317.000  1.510
   54    55   340.000  1.090
   54    56   268.000  1.529
   54    72   268.000  1.529
   56    57   340.000  1.090
   56    58   250.000  1.527
   56    60   317.000  1.522
   58    59   340.000  1.090
   58    62   320.000  1.380
   58    63   380.000  1.407
   62    66   320.000  1.380
   66    67   340.000  1.090
   66    72   250.000  1.527
   66    74   320.000  1.380
   72    73   340.000  1.090
   74    50   320.000  1.410
   50    51   340.000  1.090
   63    64   553.000  0.945
   60    61   570.000  1.229
   60    65   214.000  1.327
   65    68   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   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    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    44    63.00000  111.10000
   33    38    50    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    44    45    80.00000  120.40000
   38    44    46    81.00000  111.40000
   38    50    47    58.35000  112.70000
   38    50    74    50.00000  109.50000
   38    50    51    37.50000  110.70000
   44    38    39    35.00000  109.50000
   44    46    47    83.00000  116.90000
   46    44    45    83.00000  123.40000
   46    47    48    85.00000  110.90400
   46    47    72    50.00000  109.50000
   46    47    50    50.00000  109.50000
   47    48    49    35.00000  117.00000
   47    48    52    70.00000  124.00000
   47    72    54    58.35000  112.70000
   47    72    66    75.00000  109.43000
   47    72    73    37.50000  110.70000
   47    50    74    50.00000  109.50000
   47    50    51    37.50000  110.70000
   48    52    53    35.00000  120.00000
   48    52    54    70.00000  124.00000
   52    48    49    35.00000  120.00000
   52    54    55    35.00000  109.50000
   52    54    56    70.00000  112.02700
   52    54    72    70.00000  112.02700
   54    52    53    35.00000  117.00000
   54    56    57    37.50000  110.70000
   54    56    58    75.00000  109.43000
   54    56    60    63.00000  111.10000
   54    72    66    75.00000  109.43000
   54    72    73    37.50000  110.70000
   56    54    55    37.50000  110.70000
   56    58    59    45.00000  112.01100
   56    58    62    90.00000  108.56700
   56    58    63    90.00000  110.19100
   56    60    61    80.00000  120.40000
   56    60    65    81.00000  111.40000
   58    56    57    45.00000  108.72000
   58    62    66   100.00000  109.58800
   58    63    64    70.00000  107.92000
   62    58    59    35.00000  109.50000
   62    66    67    35.00000  109.50000
   62    66    72    90.00000  108.56700
   62    66    74    92.60000  111.55000
   66    72    73    45.00000  108.72000
   66    74    50    60.00000  109.50000
   72    47    48    70.00000  112.02700
   72    54    55    37.50000  110.70000
   72    54    56    58.35000  112.70000
   72    66    67    45.00000  112.01100
   74    66    67    35.00000  109.50000
   74    66    72    90.00000  108.56700
   74    50    51    35.00000  109.50000
   50    38    39    37.50000  110.70000
   50    38    44    63.00000  111.10000
   50    47    48    70.00000  112.02700
   50    47    72    58.35000  112.70000
   63    58    59    60.00000  108.02500
   63    58    62   110.00000  112.08000
   60    56    57    35.00000  109.50000
   60    56    58    63.00000  111.10000
   60    65    68    83.00000  116.90000
   65    60    61    83.00000  123.40000
   65    68    69    35.00000  109.50000
   65    68    70    35.00000  109.50000
   65    68    71    35.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    38    50   0.44750  1.0 1.0
   29    33    38    50  -0.17800 -1.0 2.0
   29    33    38    50   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    38    44    45   0.30150 -1.0 2.0
   33    38    44    46   0.36750  1.0 3.0
   33    38    50    47   0.56750  1.0 1.0
   33    38    50    47  -0.07550 -1.0 2.0
   33    38    50    47   0.20000  1.0 3.0
   33    38    50    74   0.62750  1.0 1.0
   33    38    50    74  -0.30950 -1.0 2.0
   33    38    50    74   0.27300  1.0 3.0
   33    38    50    51   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    44  -0.11250  1.0 3.0
   34    33    38    50   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    43   0.15000  1.0 3.0
   38    44   -46    47   1.63150  1.0 1.0
   38    44   -46    47   2.92000 -1.0 2.0
   39    38    44    45   0.00000  1.0 1.0
   39    38    44    46   0.00000  1.0 1.0
   39    38    50    47   0.15000  1.0 3.0
   39    38    50    74   0.23400  1.0 3.0
   39    38    50    51   0.15000  1.0 3.0
   44    38   -50    47  -0.95700  1.0 1.0
   44    38   -50    47  -0.18200 -1.0 2.0
   44    38   -50    47   0.29450  1.0 3.0
   44    38    50    74  -0.09450  1.0 1.0
   44    38    50    74  -1.12950 -1.0 2.0
   44    38    50    74   0.54000  1.0 3.0
   44    38    50    51  -0.11250  1.0 3.0
   44    46    47    48  -0.82050  1.0 1.0
   44    46    47    48   0.00600 -1.0 2.0
   44    46    47    48   0.04400  1.0 3.0
   44    46    47    72  -0.25900  1.0 1.0
   44    46    47    72  -0.47000 -1.0 2.0
   44    46    47    72   0.11750  1.0 3.0
   44    46   -47    50  -0.25900  1.0 1.0
   44    46   -47    50  -0.47000 -1.0 2.0
   44    46   -47    50   0.11750  1.0 3.0
   45    44    46    47   3.00000 -1.0 2.0
   46    47    48    49   0.00000  1.0 1.0
   46    47    48    52   0.39000  1.0 1.0
   46    47    48    52  -0.05800 -1.0 2.0
   46    47    48    52  -0.55150  1.0 3.0
   46    47    72    54   0.62750  1.0 1.0
   46    47    72    54  -0.30950 -1.0 2.0
   46    47    72    54   0.27300  1.0 3.0
   46    47    72    66   0.62750  1.0 1.0
   46    47    72    66  -0.30950 -1.0 2.0
   46    47    72    66   0.27300  1.0 3.0
   46    47    72    73   0.23400  1.0 3.0
   46    47   -50    38   0.62750  1.0 1.0
   46    47   -50    38  -0.30950 -1.0 2.0
   46    47   -50    38   0.27300  1.0 3.0
   46    47    50    74   1.11900  1.0 1.0
   46    47    50    74  -1.16350 -1.0 2.0
   46    47    50    74  -0.34150  1.0 3.0
   46    47    50    51   0.23400  1.0 3.0
   47    48    52    53   7.00000 -1.0 2.0
   47    48   -52    54   7.00000 -1.0 2.0
   48    47   -72    54   0.34400  1.0 1.0
   48    47   -72    54   0.09450 -1.0 2.0
   48    47   -72    54   0.11100  1.0 3.0
   48    47    72    66   0.34400  1.0 1.0
   48    47    72    66   0.09450 -1.0 2.0
   48    47    72    66   0.11100  1.0 3.0
   48    47    72    73   0.15000  1.0 3.0
   48    47    50    38   0.34400  1.0 1.0
   48    47    50    38   0.09450 -1.0 2.0
   48    47    50    38   0.11100  1.0 3.0
   48    47    50    74   0.61850  1.0 1.0
   48    47    50    74  -0.22750 -1.0 2.0
   48    47    50    74   0.15300  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    52    54    55   0.00000  1.0 1.0
   48    52    54    56   0.09850  1.0 1.0
   48    52    54    56   0.15250 -1.0 2.0
   48    52    54    56  -0.50650  1.0 3.0
   48    52   -54    72   0.09850  1.0 1.0
   48    52   -54    72   0.15250 -1.0 2.0
   48    52   -54    72  -0.50650  1.0 3.0
   49    48    52    53   7.00000 -1.0 2.0
   49    48    52    54   7.00000 -1.0 2.0
   52    54    56    57   0.15000  1.0 3.0
   52    54    56    58   0.34400  1.0 1.0
   52    54    56    58   0.09450 -1.0 2.0
   52    54    56    58   0.11100  1.0 3.0
   52    54    56    60  -0.98800  1.0 1.0
   52    54    56    60   0.48800 -1.0 2.0
   52    54    56    60   0.76800  1.0 3.0
   52    54   -72    47   0.34400  1.0 1.0
   52    54   -72    47   0.09450 -1.0 2.0
   52    54   -72    47   0.11100  1.0 3.0
   52    54    72    66   0.34400  1.0 1.0
   52    54    72    66   0.09450 -1.0 2.0
   52    54    72    66   0.11100  1.0 3.0
   52    54    72    73   0.15000  1.0 3.0
   53    52    54    55   0.33100  1.0 3.0
   53    52    54    56   0.00000  1.0 1.0
   53    52    54    72   0.00000  1.0 1.0
   54    56    58    59   0.15000  1.0 3.0
   54    56    58    62   0.62750  1.0 1.0
   54    56    58    62  -0.30950 -1.0 2.0
   54    56    58    62   0.27300  1.0 3.0
   54    56    58    63   0.86500  1.0 1.0
   54    56    58    63  -0.17500 -1.0 2.0
   54    56    58    63   0.20800  1.0 3.0
   54    56    60    61   0.30150 -1.0 2.0
   54    56    60    65   0.36750  1.0 3.0
   55    54    56    57   0.15000  1.0 3.0
   55    54    56    58   0.15000  1.0 3.0
   55    54    56    60  -0.11250  1.0 3.0
   55    54    72    47   0.15000  1.0 3.0
   55    54    72    66   0.15000  1.0 3.0
   55    54    72    73   0.15000  1.0 3.0
   56    54    72    47   0.56750  1.0 1.0
   56    54    72    47  -0.07550 -1.0 2.0
   56    54    72    47   0.20000  1.0 3.0
   56    54    72    66   3.97050  1.0 1.0
   56    54    72    73   0.15000  1.0 3.0
   56    58   -62    66   0.06250  1.0 1.0
   56    58   -62    66  -0.01100 -1.0 2.0
   56    58   -62    66   0.28050  1.0 3.0
   56    58    63    64  -0.11600  1.0 1.0
   56    58    63    64  -0.09450 -1.0 2.0
   56    58    63    64   0.21250  1.0 3.0
   56    60    65    68   1.63150  1.0 1.0
   56    60    65    68   2.92000 -1.0 2.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    62   0.23400  1.0 3.0
   57    56    58    63   0.23400  1.0 3.0
   57    56    60    61   0.00000  1.0 1.0
   57    56    60    65   0.00000  1.0 1.0
   58    56    60    61   0.30150 -1.0 2.0
   58    56    60    65   0.36750  1.0 3.0
   58    62    66    67   0.37050  1.0 3.0
   58    62    66    72   0.06250  1.0 1.0
   58    62    66    72  -0.01100 -1.0 2.0
   58    62    66    72   0.28050  1.0 3.0
   58    62    66    74  -0.53350  1.0 1.0
   58    62    66    74  -0.78350 -1.0 2.0
   58    62    66    74   0.33750  1.0 3.0
   59    58    62    66   0.37050  1.0 3.0
   59    58    63    64   0.19450  1.0 3.0
   62    58    63    64  -0.50000  1.0 1.0
   62    58    63    64  -0.73950 -1.0 2.0
   62    58    63    64   0.17150  1.0 3.0
   62    66    72    47   0.62750  1.0 1.0
   62    66    72    47  -0.30950 -1.0 2.0
   62    66    72    47   0.27300  1.0 3.0
   62    66   -72    54   0.62750  1.0 1.0
   62    66   -72    54  -0.30950 -1.0 2.0
   62    66   -72    54   0.27300  1.0 3.0
   62    66    72    73   0.23400  1.0 3.0
   62    66    74    50  -0.53350  1.0 1.0
   62    66    74    50  -0.78350 -1.0 2.0
   62    66    74    50   0.33750  1.0 3.0
   66    74    50    38   0.06250  1.0 1.0
   66    74    50    38  -0.01100 -1.0 2.0
   66    74    50    38   0.28050  1.0 3.0
   66    74   -50    47   0.06250  1.0 1.0
   66    74   -50    47  -0.01100 -1.0 2.0
   66    74   -50    47   0.28050  1.0 3.0
   66    74    50    51   0.37050  1.0 3.0
   67    66    72    47   0.15000  1.0 3.0
   67    66    72    54   0.15000  1.0 3.0
   67    66    72    73   0.15000  1.0 3.0
   67    66    74    50   0.37050  1.0 3.0
   72    47    48    49   0.00000  1.0 1.0
   72    47   -48    52   0.09850  1.0 1.0
   72    47   -48    52   0.15250 -1.0 2.0
   72    47   -48    52  -0.50650  1.0 3.0
   72    47    50    38   0.56750  1.0 1.0
   72    47    50    38  -0.07550 -1.0 2.0
   72    47    50    38   0.20000  1.0 3.0
   72    47   -50    74   0.62750  1.0 1.0
   72    47   -50    74  -0.30950 -1.0 2.0
   72    47   -50    74   0.27300  1.0 3.0
   72    47    50    51   0.15000  1.0 3.0
   72    54    56    57   0.15000  1.0 3.0
   72    54   -56    58   3.97050  1.0 1.0
   72    54    56    60  -0.95700  1.0 1.0
   72    54    56    60  -0.18200 -1.0 2.0
   72    54    56    60   0.29450  1.0 3.0
   72    66   -74    50   0.06250  1.0 1.0
   72    66   -74    50  -0.01100 -1.0 2.0
   72    66   -74    50   0.28050  1.0 3.0
   74    66   -72    47   0.62750  1.0 1.0
   74    66   -72    47  -0.30950 -1.0 2.0
   74    66   -72    47   0.27300  1.0 3.0
   74    66    72    54   0.62750  1.0 1.0
   74    66    72    54  -0.30950 -1.0 2.0
   74    66    72    54   0.27300  1.0 3.0
   74    66    72    73   0.23400  1.0 3.0
   50    38    44    45   0.30150 -1.0 2.0
   50    38   -44    46   0.36750  1.0 3.0
   50    47    48    49   0.00000  1.0 1.0
   50    47    48    52   0.09850  1.0 1.0
   50    47    48    52   0.15250 -1.0 2.0
   50    47    48    52  -0.50650  1.0 3.0
   50    47    72    54   0.56750  1.0 1.0
   50    47    72    54  -0.07550 -1.0 2.0
   50    47    72    54   0.20000  1.0 3.0
   50    47   -72    66   3.97050  1.0 1.0
   50    47    72    73   0.15000  1.0 3.0
   63    58    62    66  -0.70900  1.0 1.0
   63    58    62    66  -1.18000 -1.0 2.0
   63    58    62    66   0.91650  1.0 3.0
   60    56    58    59  -0.11250  1.0 3.0
   60    56    58    62  -0.09450  1.0 1.0
   60    56    58    62  -1.12950 -1.0 2.0
   60    56    58    62   0.54000  1.0 3.0
   60    56    58    63  -0.09450  1.0 1.0
   60    56    58    63  -1.12950 -1.0 2.0
   60    56    58    63   0.54000  1.0 3.0
   60    65    68    69   0.08050  1.0 3.0
   60    65    68    70   0.08050  1.0 3.0
   60    65    68    71   0.08050  1.0 3.0
   61    60    65    68   3.00000 -1.0 2.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    44  -0.95700  1.0 1.0
   40    33    38    44  -0.18200 -1.0 2.0
   40    33    38    44   0.29450  1.0 3.0
   40    33    38    50   0.56750  1.0 1.0
   40    33    38    50  -0.07550 -1.0 2.0
   40    33    38    50   0.20000  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
   38    46    44    45  10.50000 -1.0 2.0
   47    49    48    52   1.10000 -1.0 2.0
   54    53    52    48   1.10000 -1.0 2.0
   56    65    60    61  10.50000 -1.0 2.0
END
