* LIGAND DATABASE FILE (OPLS2005)
*
001      77    79    133    213     391
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02014    89.91130    40.56586
    3     1 S   H    _H1_     3     1.02085    32.86609   166.91545
    4     1 S   H    _H2_     4     1.02144    90.60967   -68.13506
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C20    36     1.80585    98.13950   161.76202
   34    33 S   HC   _H3_    37     1.09584   109.02536   -39.40349
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C19    38     1.50458   110.02736  -159.98459
   39    38 S   CMA  _C18    39     1.35381   124.84124  -105.60711
   40    39 S   OM   _O37    40     1.26221   132.52004  -179.92867
   41    38 S   C    _C21    74     1.47762   116.08860    76.43838
   42    41 S   O    _O35    75     1.21108   124.02688   -91.93709
   43    39 S   CM   _C17    41     1.46578   117.31218    -0.02798
   44    43 S   HC   _H15    42     1.08988   118.98179   172.69615
   45    41 S   OH   _O36    76     1.34454   109.07837    88.11642
   46    45 S   HO   _H16    77     0.98079   111.43469    -0.05234
   47    43 S   CM   _C16    43     1.33875   124.29210    -9.32862
   48    47 S   HC   _H14    44     1.08397   121.91935  -177.13085
   49    33 S   CHZ  _C15    45     1.52119   107.50083    77.41595
   50    49 S   NI   _N7_    46     1.29705   120.90609   -77.58487
   51    50 S   NE   _N6_    47     1.34364   113.16674   178.46150
   52    51 S   H    _H13    48     1.01452   121.26562    30.08777
   53    51 S   CA   _C12    49     1.40400   120.53607  -149.99126
   54    53 S   CA   _C11    50     1.39531   119.99186     0.11191
   55    54 S   HA   _H10    51     1.08708   120.61290     0.04846
   56    54 S   CA   _C10    52     1.39410   120.00535   180.00000
   57    56 S   HA   _H9_    53     1.08674   119.40918  -180.00000
   58    56 S   CA   _C9_    54     1.39573   119.98915    -0.02798
   59    58 S   CA   _C14    55     1.39421   119.97177     0.00000
   60    59 S   HA   _H12    56     1.08733   120.60490  -180.00000
   61    58 S   SY   _S1_    59     1.74604   120.02033  -180.00000
   62    61 S   OY   _O33    60     1.45813   107.76059   -24.02199
   63    61 S   OY   _O34    61     1.45848   108.64165  -153.94523
   64    53 S   CA   _C13    57     1.39402   119.99758  -179.91153
   65    64 S   HA   _H11    58     1.08730   120.65159     0.10279
   66    61 S   NE   _N5_    62     1.72196   102.81689    90.00832
   67    66 S   H    _H8_    63     1.02869   116.01118    89.98863
   68    66 S   CA   _C7_    64     1.43851   118.12165   -52.06530
   69    68 S   CA   _C8_    65     1.38563   119.88855   112.48063
   70    69 S   HA   _H7_    66     1.08469   121.65564     0.04423
   71    69 S   CA   _C4_    67     1.39057   117.89269  -179.90513
   72    71 S   HA   _H4_    68     1.08580   120.12335  -180.00000
   73    71 S   CA   _C5_    69     1.38996   119.73184    -0.02798
   74    73 S   HA   _H5_    70     1.08418   121.02333  -179.97202
   75    73 S   CA   _C6_    71     1.38584   117.91397     0.04423
   76    75 S   HA   _H6_    72     1.08544   120.77712   179.94405
   77    68 S   NB   _N4_    73     1.35187   116.04088   -67.43044
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  13   6   2   1   1  11   9   4   5   2   5   3   1   1   4   2
   4   5   8   3   9   8   4   9   3  10   7   3   8   4   3   1
   1   7   3   8   7   4   6   3   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    47    49    50    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    47    48    49    50    51    41    42    45  
   38    39    47    49    50    41  
   36    37  
   37  
    0  
   39    40    43    44    47    49    50    41    42    45    46  
   40    43    44    47    48    49    41    42    45  
   43    44    47    41  
   42    45    46    43    49  
   45    46  
   44    47    48    49    50  
   47    48    49  
   46  
    0  
   48    49    50    51  
   49    50  
   50    51    52    53  
   51    52    53    54    64  
   52    53    54    55    56    59    64    65  
   53    54    64  
   54    55    56    57    58    59    60    64    65  
   55    56    57    58    59    64    65    61  
   56    57    58    64  
   57    58    59    60    64    61    62    63    66  
   58    59    61  
   59    60    64    65    61    62    63    66    67    68  
   60    64    65    61    62    63    66  
   64    65    61  
   62    63    66    67    68    69    77    64  
   63    66    67    68  
   66    67    68  
   65  
    0  
   67    68    69    70    71    75    77  
   68    69    77  
   69    70    71    72    73    75    76    77  
   70    71    72    73    74    75    77  
   71    72    73    77  
   72    73    74    75    76    77  
   73    74    75  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.155400   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   43   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5500   0.0760  -0.294700   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.7500   0.1050   0.408500   2.0020   1.7750   0.023028004  -0.852763146
   50   3.2800   0.1700  -0.276700   1.8540   1.6400   0.005000000   0.000000000
   51   3.3000   0.1700  -0.580000   1.8650   1.6500   0.051222218  -2.220205820
   52   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700   0.156700   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.2500   0.832700   2.0020   1.7750   0.025682759  -1.666211680
   62   2.9600   0.1700  -0.468000   1.6780   1.4800   0.001000000  -0.126889456
   63   2.9600   0.1700  -0.468000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.2500   0.1700  -0.610600   1.8100   1.6000   0.054801302  -1.445846770
   67   0.5000   0.0300   0.357200   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700   0.685000   2.0020   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.447000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.155000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700   0.227000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.065000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.447000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.155000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700   0.473000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.012000   1.3810   1.2100   0.030040813   0.268726247
   77   3.2500   0.1700  -0.678000   1.8650   1.6500   0.001000000  -0.511443539
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    49   285.000  1.496
   38    39   465.000  1.376
   38    41   410.000  1.444
   39    40   745.000  1.250
   39    43   465.000  1.376
   43    44   340.000  1.080
   43    47   549.000  1.340
   47    48   340.000  1.080
   47    49   360.000  1.437
   49    50   645.000  1.280
   50    51   355.000  1.315
   51    52   434.000  1.010
   51    53   481.000  1.340
   53    54   469.000  1.400
   53    64   469.000  1.400
   54    55   367.000  1.080
   54    56   469.000  1.400
   56    57   367.000  1.080
   56    58   469.000  1.400
   58    59   469.000  1.400
   58    61   225.000  1.779
   59    60   367.000  1.080
   59    64   469.000  1.400
   64    65   367.000  1.080
   61    62   735.000  1.471
   61    63   735.000  1.471
   61    66   220.000  1.729
   66    67   434.000  1.010
   66    68   481.000  1.340
   68    69   469.000  1.400
   68    77   483.000  1.339
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    77   483.000  1.339
   41    42   570.000  1.229
   41    45   450.000  1.364
   45    46   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    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  112.20000
   29    33    49    75.00000  114.43000
   33    38    39    70.00000  124.00000
   33    38    41    70.00000  119.70000
   33    49    47    55.00000  127.86000
   33    49    50    65.00000  122.16000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    43    70.00000  123.01800
   38    41    42    80.00000  125.30000
   38    41    45    90.00000  111.55000
   39    43    44    40.00000  120.50800
   39    43    47    70.00000  117.34000
   43    39    40    65.00000  137.10300
   43    47    48    35.00000  120.00000
   43    47    49    70.00000  117.49700
   47    43    44    35.00000  120.00000
   47    49    50    65.00000  123.49500
   49    33    34    45.00000  110.40700
   49    33    38    70.00000  110.51600
   49    47    48    35.00000  118.70300
   49    50    51    85.00000  114.46500
   50    51    52    50.00000  117.11400
   50    51    53    75.00000  120.05000
   51    53    54    70.00000  120.10000
   51    53    64    70.00000  120.10000
   53    51    52    35.00000  113.50000
   53    54    55    35.00000  120.00000
   53    54    56    63.00000  120.00000
   53    64    59    63.00000  120.00000
   53    64    65    35.00000  120.00000
   54    56    57    35.00000  120.00000
   54    56    58    63.00000  120.00000
   56    54    55    35.00000  120.00000
   56    58    59    63.00000  120.00000
   56    58    61    65.00000  117.06700
   58    56    57    35.00000  120.00000
   58    59    60    35.00000  120.00000
   58    59    64    63.00000  120.00000
   58    61    62   100.00000  107.67100
   58    61    63   100.00000  107.67100
   58    61    66    90.00000  101.56900
   59    64    65    35.00000  120.00000
   64    53    54    63.00000  120.00000
   64    59    60    35.00000  120.00000
   61    58    59    65.00000  117.06700
   61    66    67    35.00000  114.50000
   61    66    68    85.28000  125.46500
   63    61    62   115.00000  120.17200
   66    61    62   115.00000  105.11000
   66    61    63   115.00000  105.11000
   66    68    69    70.00000  120.10000
   66    68    77    80.00000  117.25000
   68    66    67    35.00000  113.50000
   68    69    70    35.00000  120.00000
   68    69    71    63.00000  120.00000
   68    77    75    70.00000  117.00000
   69    71    72    35.00000  120.00000
   69    71    73    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    70.00000  124.00000
   75    73    74    35.00000  120.00000
   77    68    69    70.00000  124.00000
   77    75    76    35.00000  116.00000
   41    38    39    60.00000  120.04000
   41    45    46    35.00000  113.00000
   45    41    42   100.00000  123.32000
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    49  -0.62250  1.0 1.0
   24    29    33    49  -0.38450 -1.0 2.0
   24    29    33    49   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   29    33    49    47   0.42700  1.0 1.0
   29    33    49    47  -0.70350 -1.0 2.0
   29    33    49    47  -0.43150  1.0 3.0
   29    33    49    50   0.00000  1.0 1.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    43   7.00000 -1.0 2.0
   33    38    41    42  -0.64400  1.0 1.0
   33    38    41    42   0.26850 -1.0 2.0
   33    38    41    45  -0.23000  1.0 1.0
   33    38    41    45   0.83800 -1.0 2.0
   33    38    41    45   0.07650  1.0 3.0
   33    49    50    51   6.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    49    47   0.00000  1.0 1.0
   34    33    49    50   0.00000  1.0 1.0
   38    33    49    47  -0.28300  1.0 1.0
   38    33    49    47   0.26700 -1.0 2.0
   38    33    49    47  -0.63300  1.0 3.0
   38    33    49    50   0.00000  1.0 1.0
   38    39    43    44   7.00000 -1.0 2.0
   38    39   -43    47   7.00000 -1.0 2.0
   38    41    45    46   1.22000  1.0 1.0
   38    41    45    46   0.17300 -1.0 2.0
   39    38    41    42   1.00000 -1.0 2.0
   39    38    41    45  -0.01000  1.0 1.0
   39    38    41    45   1.29850 -1.0 2.0
   39    38    41    45  -0.09550  1.0 3.0
   39    43    47    48   7.00000 -1.0 2.0
   39    43    47    49   7.00000 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47   -49    33   0.69550 -1.0 2.0
   43    47    49    50   1.09650  1.0 1.0
   43    47    49    50   0.48950 -1.0 2.0
   43    47    49    50   0.49400  1.0 3.0
   44    43    47    48   7.00000 -1.0 2.0
   44    43    47    49   7.00000 -1.0 2.0
   47    49    50    51   6.00000 -1.0 2.0
   48    47    49    33   0.00000  1.0 1.0
   48    47    49    50   1.00600 -1.0 2.0
   49    33   -38    39  -0.28300  1.0 1.0
   49    33   -38    39   0.26700 -1.0 2.0
   49    33   -38    39  -0.63300  1.0 3.0
   49    33    38    41   0.09700  1.0 1.0
   49    33    38    41   0.15600 -1.0 2.0
   49    33    38    41  -0.50800  1.0 3.0
   49    50    51    52   2.00000 -1.0 2.0
   49    50    51    53   2.00000 -1.0 2.0
   50    51    53    54   0.75000 -1.0 2.0
   50    51    53    64   0.75000 -1.0 2.0
   51    53    54    55   3.62500 -1.0 2.0
   51    53    54    56   3.62500 -1.0 2.0
   51    53    64    59   3.62500 -1.0 2.0
   51    53    64    65   3.62500 -1.0 2.0
   52    51    53    54   1.00000 -1.0 2.0
   52    51    53    64   1.00000 -1.0 2.0
   53    54    56    57   3.62500 -1.0 2.0
   53    54    56    58   3.62500 -1.0 2.0
   54    53    64    59   3.62500 -1.0 2.0
   54    53    64    65   3.62500 -1.0 2.0
   54    56   -58    59   3.62500 -1.0 2.0
   54    56    58    61   3.62500 -1.0 2.0
   55    54    56    57   3.62500 -1.0 2.0
   55    54    56    58   3.62500 -1.0 2.0
   56    58    59    60   3.62500 -1.0 2.0
   56    58    59    64   3.62500 -1.0 2.0
   56    58    61    62   0.19500  1.0 1.0
   56    58    61    62   0.12000 -1.0 2.0
   56    58    61    63   0.19500  1.0 1.0
   56    58    61    63   0.12000 -1.0 2.0
   56    58    61    66  -0.25000 -1.0 2.0
   57    56    58    59   3.62500 -1.0 2.0
   57    56    58    61   3.62500 -1.0 2.0
   58    59   -64    53   3.62500 -1.0 2.0
   58    59    64    65   3.62500 -1.0 2.0
   58    61    66    67   0.00000  1.0 1.0
   58    61    66    68  -1.00000  1.0 1.0
   58    61    66    68   0.50000  1.0 3.0
   59    58    61    62   0.19500  1.0 1.0
   59    58    61    62   0.12000 -1.0 2.0
   59    58    61    63   0.19500  1.0 1.0
   59    58    61    63   0.12000 -1.0 2.0
   59    58    61    66  -0.25000 -1.0 2.0
   60    59    64    53   3.62500 -1.0 2.0
   60    59    64    65   3.62500 -1.0 2.0
   64    53    54    55   3.62500 -1.0 2.0
   64    53   -54    56   3.62500 -1.0 2.0
   61    58    59    60   3.62500 -1.0 2.0
   61    58    59    64   3.62500 -1.0 2.0
   61    66    68    69   0.75000 -1.0 2.0
   61    66    68    77   0.96250 -1.0 2.0
   62    61    66    67   0.00000  1.0 1.0
   62    61    66    68   0.00000  1.0 1.0
   63    61    66    67   0.00000  1.0 1.0
   63    61    66    68   0.00000  1.0 1.0
   66    68    69    70   3.62500 -1.0 2.0
   66    68    69    71   3.62500 -1.0 2.0
   66    68    77    75   3.62500 -1.0 2.0
   67    66    68    69   1.00000 -1.0 2.0
   67    66    68    77   1.75000 -1.0 2.0
   68    69    71    72   3.62500 -1.0 2.0
   68    69    71    73   3.62500 -1.0 2.0
   69    68    77    75   3.62500 -1.0 2.0
   69    71    73    74   3.62500 -1.0 2.0
   69    71   -73    75   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   71    73    75    77   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75   -77    68   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   76    75    77    68   3.62500 -1.0 2.0
   77    68    69    70   3.62500 -1.0 2.0
   77    68   -69    71   3.62500 -1.0 2.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    43   7.00000 -1.0 2.0
   42    41    45    46   0.92200  1.0 1.0
   42    41    45    46   3.74100 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   43    40    39    38   1.10000 -1.0 2.0
   39    44    43    47   1.10000 -1.0 2.0
   49    48    47    43   1.10000 -1.0 2.0
   33    47    49    50  10.50000 -1.0 2.0
   52    53    51    50   1.00000 -1.0 2.0
   54    64    53    51   4.00000 -1.0 2.0
   56    55    54    53   1.10000 -1.0 2.0
   58    57    56    54   1.10000 -1.0 2.0
   59    61    58    56   4.00000 -1.0 2.0
   64    60    59    58   1.10000 -1.0 2.0
   59    65    64    53   1.10000 -1.0 2.0
   67    61    66    68   1.00000 -1.0 2.0
   69    77    68    66   4.00000 -1.0 2.0
   71    70    69    68   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   38    45    41    42  10.50000 -1.0 2.0
END
