* LIGAND DATABASE FILE (OPLS2005)
*
001      77    77    134    197     399
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02142    35.76136   135.15666
    3     1 S   H    _H1_     3     1.02127    80.56386   -83.11651
    4     1 S   H    _H2_     4     1.02060    98.34445    24.58819
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    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     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C9_    36     1.83689    97.66693   161.85349
   34    33 S   HC   _H3_    37     1.09514   105.63624   -39.16021
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   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   CT   _C7_    38     1.53554   110.88119    79.96126
   39    38 S   HC   _H32    39     1.10512   111.63717    58.92849
   40    38 S   CT   _C4_    40     1.54089   111.99367  -179.12867
   41    40 S   HC   _H29    41     1.09481   109.15341   101.98561
   42    38 S   OS   _O22    71     1.42850   110.79792   -59.97802
   43    40 S   CT   _C5_    42     1.53601   112.74495   -20.86031
   44    43 S   HC   _H30    43     1.12765   109.25687    83.52542
   45    40 S   OH   _O33    69     1.43065   107.09581  -142.87735
   46    45 S   HO   _H35    70     0.96941   106.40675   -56.72603
   47    42 S   P1   _P27    72     1.61244   118.04298   157.76157
   48    47 S   O2Z  _O9_    73     1.50042   115.21025   -40.01789
   49    43 S   CT   _C6_    44     1.52890   112.38198   -38.14224
   50    49 S   HC   _H31    45     1.08548   110.11446  -176.19656
   51    43 S   OS   _O20    62     1.42428   110.73729  -161.50881
   52    47 S   OS   _O16    74     1.61753   103.85337  -167.12050
   53    52 S   HO   _H40    75     0.98114   118.90744  -173.02585
   54    47 S   OS   _O17    76     1.61780   102.48195    85.60578
   55    54 S   HO   _H41    77     0.98103   118.93781   174.20039
   56    33 S   CT   _C8_    46     1.54646   108.93219  -156.17180
   57    56 S   HC   _H33    47     1.10199   110.87038   -34.33655
   58    49 S   OS   _O21    55     1.42907   108.90656   -58.41627
   59    51 S   P1   _P25    63     1.61204   117.96726   -80.00731
   60    59 S   O2Z  _O7_    64     1.50052   115.26448    60.02421
   61    56 S   OS   _O23    48     1.43042   107.31548    81.81287
   62    58 S   P1   _P26    56     1.61409   118.11051  -159.99995
   63    62 S   O2Z  _O8_    57     1.50089   115.16961   -60.04098
   64    59 S   OS   _O34    65     1.61706   103.87624   -67.11294
   65    64 S   HO   _H36    66     0.98105   118.92123  -172.90480
   66    59 S   OS   _O13    67     1.61731   102.42555  -174.36960
   67    66 S   HO   _H37    68     0.98066   118.93021   174.28536
   68    61 S   P1   _P28    49     1.61276   118.04076  -157.03619
   69    68 S   O2Z  _O10    50     1.50090   115.24418   -59.96307
   70    62 S   OS   _O14    58     1.61756   103.82859   172.98513
   71    70 S   HO   _H38    59     0.98053   118.90385  -173.08494
   72    62 S   OS   _O15    60     1.61670   102.60325    65.62550
   73    72 S   HO   _H39    61     0.98077   118.94634   174.22949
   74    68 S   OS   _O18    51     1.61707   103.86014   172.93026
   75    74 S   HO   _H42    52     0.98120   118.92723  -172.96411
   76    68 S   OS   _O19    53     1.61759   102.47955    65.67433
   77    76 S   HO   _H43    54     0.98162   118.94791   174.25570
  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
  16   8   2   1   1  17   7  13   7   9  15   7   3   1   5   4
  12   6   8   3   1   1   1   8   3   7   5   4   6   5   4   3
   1   1   1   5   4   3   1   1   1   3   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    56    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    56    57    61    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    49    50    56    57    61    68    58    45    42    47  
   38    39    40    49    56    57    61    42  
   36    37  
   37  
    0  
   39    40    41    43    44    49    56    57    61    51    45    46    42    47    48    52    54  
   40    41    43    56    45    42    47  
   41    43    44    49    50    56    58    51    59    45    46    42    47  
   43    44    49    51    45    46    42  
   47    48    52    53    54    55    43    45    56  
   44    49    50    56    57    61    58    62    51    59    60    64    66    45    46  
   49    50    56    58    51    59    45  
   46    49    51  
    0  
   48    52    53    54    55  
   52    53    54    55  
   50    56    57    61    68    58    62    63    70    72    51    59  
   56    57    61    58    62    51  
   59    60    64    65    66    67    56    58  
   53    54    55  
   54  
   55  
    0  
   57    61    68    69    74    76    58    62  
   61    68    58  
   62    63    70    71    72    73    61  
   60    64    65    66    67  
   64    65    66    67  
   68    69    74    75    76    77  
   63    70    71    72    73  
   70    71    72    73  
   65    66    67  
   66  
   67  
    0  
   69    74    75    76    77  
   74    75    76    77  
   71    72    73  
   72  
   73  
    0  
   75    76    77  
   76  
   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   0.107500   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   0.212900   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.8500   0.1400  -0.461100   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.212900   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.7400   0.2000   1.230700   2.1070   1.8700   0.005000000   0.000000000
   48   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   49   3.5000   0.0660   0.212900   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.8500   0.1400  -0.461100   1.7660   1.5600   0.020110767  -0.896042159
   52   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   54   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5000   0.0660   0.212900   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.8500   0.1400  -0.461100   1.7660   1.5600   0.020110767  -0.896042159
   59   3.7400   0.2000   1.230700   2.1070   1.8700   0.005000000   0.000000000
   60   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   61   2.8500   0.1400  -0.461100   1.7660   1.5600   0.020110767  -0.896042159
   62   3.7400   0.2000   1.230700   2.1070   1.8700   0.005000000   0.000000000
   63   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   64   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   66   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.7400   0.2000   1.230700   2.1070   1.8700   0.005000000   0.000000000
   69   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   70   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   72   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   74   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   76   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.380000   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   268.000  1.529
   33    56   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   268.000  1.529
   40    45   320.000  1.410
   43    44   340.000  1.090
   43    49   268.000  1.529
   43    51   320.000  1.410
   49    50   340.000  1.090
   49    56   268.000  1.529
   49    58   320.000  1.410
   56    57   340.000  1.090
   56    61   320.000  1.410
   61    68   405.000  1.623
   68    69   675.000  1.490
   68    74   405.000  1.623
   68    76   405.000  1.623
   74    75   553.000  0.945
   76    77   553.000  0.945
   58    62   405.000  1.623
   62    63   675.000  1.490
   62    70   405.000  1.623
   62    72   405.000  1.623
   70    71   553.000  0.945
   72    73   553.000  0.945
   51    59   405.000  1.623
   59    60   675.000  1.490
   59    64   405.000  1.623
   59    66   405.000  1.623
   64    65   553.000  0.945
   66    67   553.000  0.945
   45    46   553.000  0.945
   42    47   405.000  1.623
   47    48   675.000  1.490
   47    52   405.000  1.623
   47    54   405.000  1.623
   52    53   553.000  0.945
   54    55   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  111.63000
   29    33    56    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    56    49    58.35000  112.70000
   33    56    57    37.50000  110.70000
   33    56    61    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    58.35000  112.70000
   38    40    45    50.00000  109.50000
   38    42    47    75.00000  119.24600
   40    38    39    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    49    58.35000  112.70000
   40    43    51    50.00000  109.50000
   40    45    46    55.00000  108.50000
   43    40    41    37.50000  110.70000
   43    49    50    37.50000  110.70000
   43    49    56    58.35000  112.70000
   43    49    58    50.00000  109.50000
   43    51    59    75.00000  119.24600
   49    43    44    37.50000  110.70000
   49    56    57    37.50000  110.70000
   49    56    61    50.00000  109.50000
   49    58    62    75.00000  119.24600
   56    33    34    37.50000  110.70000
   56    33    38    58.35000  112.70000
   56    49    50    37.50000  110.70000
   56    61    68    75.00000  119.24600
   61    56    57    35.00000  109.50000
   61    68    69   100.00000  115.86100
   61    68    74   120.00000  102.38000
   61    68    76   120.00000  102.38000
   68    74    75    50.00000  113.86100
   68    76    77    50.00000  113.86100
   74    68    69   100.00000  115.86100
   76    68    69   100.00000  115.86100
   76    68    74   120.00000  102.38000
   58    49    50    35.00000  109.50000
   58    49    56    50.00000  109.50000
   58    62    63   100.00000  115.86100
   58    62    70   120.00000  102.38000
   58    62    72   120.00000  102.38000
   62    70    71    50.00000  113.86100
   62    72    73    50.00000  113.86100
   70    62    63   100.00000  115.86100
   72    62    63   100.00000  115.86100
   72    62    70   120.00000  102.38000
   51    43    44    35.00000  109.50000
   51    43    49    50.00000  109.50000
   51    59    60   100.00000  115.86100
   51    59    64   120.00000  102.38000
   51    59    66   120.00000  102.38000
   59    64    65    50.00000  113.86100
   59    66    67    50.00000  113.86100
   64    59    60   100.00000  115.86100
   66    59    60   100.00000  115.86100
   66    59    64   120.00000  102.38000
   45    40    41    35.00000  109.50000
   45    40    43    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    47    48   100.00000  115.86100
   42    47    52   120.00000  102.38000
   42    47    54   120.00000  102.38000
   47    52    53    50.00000  113.86100
   47    54    55    50.00000  113.86100
   52    47    48   100.00000  115.86100
   54    47    48   100.00000  115.86100
   54    47    52   120.00000  102.38000
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    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    56    49   0.44750  1.0 1.0
   29    33    56    49  -0.17800 -1.0 2.0
   29    33    56    49   0.20200  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    61   0.56750  1.0 1.0
   29    33    56    61  -0.07550 -1.0 2.0
   29    33    56    61   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43   0.56750  1.0 1.0
   33    38    40    43  -0.07550 -1.0 2.0
   33    38    40    43   0.20000  1.0 3.0
   33    38    40    45   0.86500  1.0 1.0
   33    38    40    45  -0.17500 -1.0 2.0
   33    38    40    45   0.20800  1.0 3.0
   33    38    42    47  -2.65550  1.0 1.0
   33    38    42    47  -0.22350 -1.0 2.0
   33    38    42    47   0.24150  1.0 3.0
   33    56    61    68  -2.65550  1.0 1.0
   33    56    61    68  -0.22350 -1.0 2.0
   33    56    61    68   0.24150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    56    49   0.15000  1.0 3.0
   34    33    56    57   0.15000  1.0 3.0
   34    33    56    61   0.23400  1.0 3.0
   38    33    56    49   0.56750  1.0 1.0
   38    33    56    49  -0.07550 -1.0 2.0
   38    33    56    49   0.20000  1.0 3.0
   38    33    56    57   0.15000  1.0 3.0
   38    33    56    61   0.62750  1.0 1.0
   38    33    56    61  -0.30950 -1.0 2.0
   38    33    56    61   0.27300  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40   -43    49   0.56750  1.0 1.0
   38    40   -43    49  -0.07550 -1.0 2.0
   38    40   -43    49   0.20000  1.0 3.0
   38    40    43    51   0.62750  1.0 1.0
   38    40    43    51  -0.30950 -1.0 2.0
   38    40    43    51   0.27300  1.0 3.0
   38    40    45    46  -0.11600  1.0 1.0
   38    40    45    46  -0.09450 -1.0 2.0
   38    40    45    46   0.21250  1.0 3.0
   38    42    47    48   0.00000  1.0 1.0
   38    42    47    52   0.91800  1.0 1.0
   38    42    47    52   0.22900 -1.0 2.0
   38    42    47    52   0.32050  1.0 3.0
   38    42    47    54   0.91800  1.0 1.0
   38    42    47    54   0.22900 -1.0 2.0
   38    42    47    54   0.32050  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    45   0.23400  1.0 3.0
   39    38    42    47   0.03000  1.0 3.0
   40    38    42    47  -2.65550  1.0 1.0
   40    38    42    47  -0.22350 -1.0 2.0
   40    38    42    47   0.24150  1.0 3.0
   40    43    49    50   0.15000  1.0 3.0
   40    43    49    56   0.56750  1.0 1.0
   40    43    49    56  -0.07550 -1.0 2.0
   40    43    49    56   0.20000  1.0 3.0
   40    43    49    58   0.62750  1.0 1.0
   40    43    49    58  -0.30950 -1.0 2.0
   40    43    49    58   0.27300  1.0 3.0
   40    43    51    59  -2.65550  1.0 1.0
   40    43    51    59  -0.22350 -1.0 2.0
   40    43    51    59   0.24150  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    49   0.15000  1.0 3.0
   41    40    43    51   0.23400  1.0 3.0
   41    40    45    46   0.19450  1.0 3.0
   43    40    45    46  -0.11600  1.0 1.0
   43    40    45    46  -0.09450 -1.0 2.0
   43    40    45    46   0.21250  1.0 3.0
   43    49   -56    33   0.56750  1.0 1.0
   43    49   -56    33  -0.07550 -1.0 2.0
   43    49   -56    33   0.20000  1.0 3.0
   43    49    56    57   0.15000  1.0 3.0
   43    49    56    61   0.62750  1.0 1.0
   43    49    56    61  -0.30950 -1.0 2.0
   43    49    56    61   0.27300  1.0 3.0
   43    49    58    62  -2.65550  1.0 1.0
   43    49    58    62  -0.22350 -1.0 2.0
   43    49    58    62   0.24150  1.0 3.0
   43    51    59    60   0.00000  1.0 1.0
   43    51    59    64   0.91800  1.0 1.0
   43    51    59    64   0.22900 -1.0 2.0
   43    51    59    64   0.32050  1.0 3.0
   43    51    59    66   0.91800  1.0 1.0
   43    51    59    66   0.22900 -1.0 2.0
   43    51    59    66   0.32050  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    56   0.15000  1.0 3.0
   44    43    49    58   0.23400  1.0 3.0
   44    43    51    59   0.03000  1.0 3.0
   49    43    51    59  -2.65550  1.0 1.0
   49    43    51    59  -0.22350 -1.0 2.0
   49    43    51    59   0.24150  1.0 3.0
   49    56    61    68  -2.65550  1.0 1.0
   49    56    61    68  -0.22350 -1.0 2.0
   49    56    61    68   0.24150  1.0 3.0
   49    58    62    63   0.00000  1.0 1.0
   49    58    62    70   0.91800  1.0 1.0
   49    58    62    70   0.22900 -1.0 2.0
   49    58    62    70   0.32050  1.0 3.0
   49    58    62    72   0.91800  1.0 1.0
   49    58    62    72   0.22900 -1.0 2.0
   49    58    62    72   0.32050  1.0 3.0
   50    49    56    33   0.15000  1.0 3.0
   50    49    56    57   0.15000  1.0 3.0
   50    49    56    61   0.23400  1.0 3.0
   50    49    58    62   0.03000  1.0 3.0
   56    33    38    39   0.15000  1.0 3.0
   56    33   -38    40   0.56750  1.0 1.0
   56    33   -38    40  -0.07550 -1.0 2.0
   56    33   -38    40   0.20000  1.0 3.0
   56    33    38    42   0.62750  1.0 1.0
   56    33    38    42  -0.30950 -1.0 2.0
   56    33    38    42   0.27300  1.0 3.0
   56    49    58    62  -2.65550  1.0 1.0
   56    49    58    62  -0.22350 -1.0 2.0
   56    49    58    62   0.24150  1.0 3.0
   56    61    68    69   0.00000  1.0 1.0
   56    61    68    74   0.91800  1.0 1.0
   56    61    68    74   0.22900 -1.0 2.0
   56    61    68    74   0.32050  1.0 3.0
   56    61    68    76   0.91800  1.0 1.0
   56    61    68    76   0.22900 -1.0 2.0
   56    61    68    76   0.32050  1.0 3.0
   57    56    61    68   0.03000  1.0 3.0
   61    68    74    75  -0.22900  1.0 1.0
   61    68    74    75   0.09450 -1.0 2.0
   61    68    74    75  -0.07800  1.0 3.0
   61    68    76    77  -0.22900  1.0 1.0
   61    68    76    77   0.09450 -1.0 2.0
   61    68    76    77  -0.07800  1.0 3.0
   69    68    74    75   0.00000  1.0 1.0
   69    68    76    77   0.00000  1.0 1.0
   74    68    76    77  -0.22900  1.0 1.0
   74    68    76    77   0.09450 -1.0 2.0
   74    68    76    77  -0.07800  1.0 3.0
   76    68    74    75  -0.22900  1.0 1.0
   76    68    74    75   0.09450 -1.0 2.0
   76    68    74    75  -0.07800  1.0 3.0
   58    49    56    33   0.62750  1.0 1.0
   58    49    56    33  -0.30950 -1.0 2.0
   58    49    56    33   0.27300  1.0 3.0
   58    49    56    57   0.23400  1.0 3.0
   58    49    56    61   1.11900  1.0 1.0
   58    49    56    61  -1.16350 -1.0 2.0
   58    49    56    61  -0.34150  1.0 3.0
   58    62    70    71  -0.22900  1.0 1.0
   58    62    70    71   0.09450 -1.0 2.0
   58    62    70    71  -0.07800  1.0 3.0
   58    62    72    73  -0.22900  1.0 1.0
   58    62    72    73   0.09450 -1.0 2.0
   58    62    72    73  -0.07800  1.0 3.0
   63    62    70    71   0.00000  1.0 1.0
   63    62    72    73   0.00000  1.0 1.0
   70    62    72    73  -0.22900  1.0 1.0
   70    62    72    73   0.09450 -1.0 2.0
   70    62    72    73  -0.07800  1.0 3.0
   72    62    70    71  -0.22900  1.0 1.0
   72    62    70    71   0.09450 -1.0 2.0
   72    62    70    71  -0.07800  1.0 3.0
   51    43    49    50   0.23400  1.0 3.0
   51    43    49    56   0.62750  1.0 1.0
   51    43    49    56  -0.30950 -1.0 2.0
   51    43    49    56   0.27300  1.0 3.0
   51    43    49    58   1.11900  1.0 1.0
   51    43    49    58  -1.16350 -1.0 2.0
   51    43    49    58  -0.34150  1.0 3.0
   51    59    64    65  -0.22900  1.0 1.0
   51    59    64    65   0.09450 -1.0 2.0
   51    59    64    65  -0.07800  1.0 3.0
   51    59    66    67  -0.22900  1.0 1.0
   51    59    66    67   0.09450 -1.0 2.0
   51    59    66    67  -0.07800  1.0 3.0
   60    59    64    65   0.00000  1.0 1.0
   60    59    66    67   0.00000  1.0 1.0
   64    59    66    67  -0.22900  1.0 1.0
   64    59    66    67   0.09450 -1.0 2.0
   64    59    66    67  -0.07800  1.0 3.0
   66    59    64    65  -0.22900  1.0 1.0
   66    59    64    65   0.09450 -1.0 2.0
   66    59    64    65  -0.07800  1.0 3.0
   45    40    43    44   0.23400  1.0 3.0
   45    40    43    49   0.86500  1.0 1.0
   45    40    43    49  -0.17500 -1.0 2.0
   45    40    43    49   0.20800  1.0 3.0
   45    40    43    51   3.69350  1.0 1.0
   45    40    43    51  -1.82950 -1.0 2.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   0.62750  1.0 1.0
   42    38    40    43  -0.30950 -1.0 2.0
   42    38    40    43   0.27300  1.0 3.0
   42    38    40    45   3.69350  1.0 1.0
   42    38    40    45  -1.82950 -1.0 2.0
   42    47    52    53  -0.22900  1.0 1.0
   42    47    52    53   0.09450 -1.0 2.0
   42    47    52    53  -0.07800  1.0 3.0
   42    47    54    55  -0.22900  1.0 1.0
   42    47    54    55   0.09450 -1.0 2.0
   42    47    54    55  -0.07800  1.0 3.0
   48    47    52    53   0.00000  1.0 1.0
   48    47    54    55   0.00000  1.0 1.0
   52    47    54    55  -0.22900  1.0 1.0
   52    47    54    55   0.09450 -1.0 2.0
   52    47    54    55  -0.07800  1.0 3.0
   54    47    52    53  -0.22900  1.0 1.0
   54    47    52    53   0.09450 -1.0 2.0
   54    47    52    53  -0.07800  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
END
