* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    133    200     383
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02127    35.17846   138.37230
    3     1 S   H    _H1_     3     1.02098    81.70183   -81.53175
    4     1 S   H    _H2_     4     1.02081    97.53917    26.36092
    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     1.04724   118.98282     8.58904
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08448   106.40438   -11.12153
   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     1.08733   110.25787    59.12705
   26    24 S   HC   HB22    34     1.08755   109.66015   178.75008
   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   _C10    36     1.81709    98.08851   -78.20877
   34    33 S   HC   _H3_    37     1.09752   107.31091    41.53627
   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   _C9_    38     1.52047   114.75277   -80.04275
   39    38 S   HC   _H30    39     1.09585   113.51413    76.31583
   40    38 S   CT   _C11    40     1.52680   102.09152  -160.68429
   41    40 S   HC   _H32    41     1.09819   111.93550   146.16794
   42    38 S   OH   _O20    73     1.42712   110.86297   -45.82784
   43    42 S   HO   _H38    74     0.96869   106.45221  -180.00000
   44    40 S   OS   _O19    42     1.44359   106.49435    28.95090
   45    40 S   CT   _C13    59     1.52291   113.00956   -89.80182
   46    45 S   HC   _H34    60     1.09123   110.09885    60.00599
   47    45 S   HC   _H35    61     1.09032   110.09959   -60.99099
   48    33 S   CO   _C12    43     1.52963   113.51853   163.64045
   49    48 S   HC   _H33    44     1.11275   113.30829    40.38635
   50    45 S   OS   _O23    62     1.41692   108.61616   179.48566
   51    48 S   N*   _N14    45     1.50900   114.55321   -80.63510
   52    50 S   P1   _P26    63     1.61936   118.48598   179.97202
   53    52 S   O2Z  _O16    64     1.50181   116.39366  -180.00000
   54    51 S   CRAB _C5_    46     1.37031   126.07337   -54.74125
   55    54 S   HA   _H29    47     1.08220   122.23395    -0.14127
   56    52 S   OS   _O21    65     1.61931   103.73855   -53.79338
   57    56 S   HO   _H39    66     0.98067   118.94152   -67.65635
   58    52 S   OS   _O24    67     1.61947   101.69130    52.72065
   59    54 S   NNA  _N13    48     1.31621   112.18965   179.81869
   60    58 S   SY   _S27    68     1.63294   114.67572    87.42534
   61    60 S   OY   _O17    69     1.45098   108.88994    80.00235
   62    60 S   OY   _O18    70     1.45102   108.44699   -52.95983
   63    59 S   C56B _C6_    49     1.37299   104.80963     0.00000
   64    60 S   OS   _O22    71     1.63026   102.60908  -166.35902
   65    64 S   HO   _H40    72     0.98576   115.32953   174.20316
   66    51 S   C56A _C7_    50     1.36549   126.86652   125.05669
   67    66 S   NB   _N11    51     1.34149   127.57131     0.16432
   68    67 S   CQ   _C4_    52     1.35122   110.46689  -179.95154
   69    68 S   HA   _H28    53     1.08472   115.64278  -180.00000
   70    68 S   NB   _N12    54     1.35496   128.80506    -0.01978
   71    63 S   CA   _C8_    55     1.39122   132.37810  -179.95154
   72    71 S   NND  _N15    56     1.40612   120.71299    -0.05935
   73    72 S   H    _H36    57     1.00247   119.44839    -3.10923
   74    72 S   H    _H37    58     1.00220   119.44537  -176.84322
  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  13   7  12   7   4   1   9   8   3   2   8
   3   6   8   8   4   6   3   3   1   5   6   4   3   2   8   1
   1   6   4   4   2   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    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    48    49    51    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    51    54    66    45    42    43  
   38    39    40    44    48    49    51    42  
   36    37  
   37  
    0  
   39    40    41    44    48    49    51    45    46    47    50    42    43  
   40    41    44    48    45    42    43  
   41    44    48    49    51    45    46    47    50    52    42    43  
   44    48    45    46    47    50    42  
   43    44    45    48  
    0  
   48    49    51    54    66    45    46    47    50  
   46    47    50    52    53    56    58    48  
   47    50    52  
   50    52  
   49    51    54    55    59    63    66    67  
   51    54    66  
   52    53    56    57    58    60  
   54    55    59    63    66    67    68    71  
   53    56    57    58    60    61    62    64  
   56    57    58    60  
   55    59    63    66    67    71  
   59    63    66  
   57    58    60  
   58  
   60    61    62    64    65  
   63    66    67    70    71    72  
   61    62    64    65  
   62    64    65  
   64    65  
   66    67    68    70    71    72    73    74  
   65  
    0  
   67    68    69    70    71    72  
   68    69    70    71  
   69    70    71    72  
   70    71  
   71    72    73    74  
   72    73    74  
   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   0.205000   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   45   3.5000   0.0660   0.152900   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   50   2.8500   0.1400  -0.461100   1.7660   1.5600   0.020110767  -0.896042159
   51   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   52   3.7400   0.2000   1.355000   2.1070   1.8700   0.005000000   0.000000000
   53   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   54   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   56   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   58   2.9000   0.1400  -0.422300   1.5900   1.4000   0.020110767  -0.896042159
   59   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   60   3.5500   0.2500   1.247600   2.0025   1.7750   0.025682759  -1.666211680
   61   2.9600   0.1700  -0.514000   1.6780   1.4800   0.001000000  -0.126889456
   62   2.9600   0.1700  -0.514000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5000   0.0800   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   64   2.9000   0.1400  -0.541600   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.431800   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0800   0.380000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.2500   0.1700  -0.550000   1.8000   1.6000   0.001000000  -0.511443539
   68   3.5000   0.0800   0.220000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   70   3.2500   0.1700  -0.530000   1.8000   1.6000   0.001000000  -0.511443539
   71   3.5000   0.0800   0.440000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.2500   0.1700  -0.810000   1.8650   1.6500   0.051222218  -2.220205820
   73   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   74   0.5000   0.0300   0.370000   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    48   250.000  1.527
   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    44   320.000  1.410
   40    45   268.000  1.529
   44    48   320.000  1.380
   48    49   340.000  1.090
   48    51   275.000  1.479
   51    54   440.000  1.371
   51    66   436.000  1.374
   54    55   367.000  1.080
   54    59   529.000  1.304
   59    63   414.000  1.391
   63    66   447.000  1.419
   63    71   469.000  1.404
   66    67   461.000  1.354
   67    68   502.000  1.324
   68    69   367.000  1.080
   68    70   502.000  1.324
   70    71   483.000  1.339
   71    72   481.000  1.340
   72    73   434.000  1.010
   72    74   434.000  1.010
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   320.000  1.410
   50    52   405.000  1.623
   52    53   675.000  1.490
   52    56   405.000  1.623
   52    58   405.000  1.623
   56    57   553.000  0.945
   58    60   335.000  1.682
   60    61   735.000  1.471
   60    62   735.000  1.471
   60    64   335.000  1.682
   64    65   553.000  0.945
   42    43   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    48    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    48    44    90.00000  108.56700
   33    48    49    45.00000  112.01100
   33    48    51    75.00000  107.44000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    50.00000  109.50000
   38    40    45    58.35000  112.70000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    48    60.00000  109.50000
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    50    50.00000  109.50000
   44    40    41    35.00000  109.50000
   44    48    49    35.00000  109.50000
   44    48    51   105.00000  106.22000
   48    33    34    45.00000  108.72000
   48    33    38    75.00000  109.43000
   48    51    54    70.00000  128.80000
   48    51    66    70.00000  125.80000
   51    48    49    55.00000  103.44000
   51    54    55    35.00000  123.05000
   51    54    59    70.00000  113.90000
   51    66    63    70.00000  106.20000
   51    66    67    70.00000  126.20000
   54    59    63    70.00000  103.80000
   59    54    55    35.00000  123.05000
   59    63    66    70.00000  110.40000
   59    63    71    70.00000  132.40000
   63    66    67    70.00000  127.70000
   63    71    70    70.00000  117.30000
   63    71    72    70.00000  123.50000
   66    51    54    70.00000  105.40000
   66    67    68    70.00000  111.00000
   67    68    69    35.00000  115.45000
   67    68    70    70.00000  129.10000
   68    70    71    70.00000  118.60000
   70    68    69    35.00000  115.45000
   70    71    72    70.00000  119.30000
   71    63    66    85.00000  116.20000
   71    72    73    35.00000  120.00000
   71    72    74    35.00000  120.00000
   74    72    73    35.00000  120.00000
   45    40    41    37.50000  110.70000
   45    40    44    50.00000  109.50000
   45    50    52    75.00000  119.24600
   47    45    46    33.00000  107.80000
   50    45    46    35.00000  109.50000
   50    45    47    35.00000  109.50000
   50    52    53   100.00000  115.86100
   50    52    56   120.00000  102.38000
   50    52    58   120.00000  102.38000
   52    56    57    50.00000  113.86100
   52    58    60    75.00000  113.00000
   56    52    53   100.00000  115.86100
   58    52    53   100.00000  115.86100
   58    52    56   120.00000  102.38000
   58    60    61   135.00000  106.70400
   58    60    62   135.00000  106.70400
   58    60    64   135.00000  103.05200
   60    64    65    65.00000  110.03400
   62    60    61   115.00000  120.17200
   64    60    61   135.00000  106.70400
   64    60    62   135.00000  106.70400
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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    48    44   0.56750  1.0 1.0
   29    33    48    44  -0.07550 -1.0 2.0
   29    33    48    44   0.20000  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    51   0.56750  1.0 1.0
   29    33    48    51  -0.07550 -1.0 2.0
   29    33    48    51   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38   -40    44   0.62750  1.0 1.0
   33    38   -40    44  -0.30950 -1.0 2.0
   33    38   -40    44   0.27300  1.0 3.0
   33    38    40    45   0.56750  1.0 1.0
   33    38    40    45  -0.07550 -1.0 2.0
   33    38    40    45   0.20000  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    48    51    54   1.10250  1.0 1.0
   33    48    51    54   0.01650 -1.0 2.0
   33    48    51    54   0.39100  1.0 3.0
   33    48    51    66   1.10250  1.0 1.0
   33    48    51    66   0.01650 -1.0 2.0
   33    48    51    66   0.39100  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    48    44   0.23400  1.0 3.0
   34    33    48    49   0.15000  1.0 3.0
   34    33    48    51   0.15000  1.0 3.0
   38    33   -48    44   0.62750  1.0 1.0
   38    33   -48    44  -0.30950 -1.0 2.0
   38    33   -48    44   0.27300  1.0 3.0
   38    33    48    49   0.15000  1.0 3.0
   38    33    48    51  -0.64600  1.0 1.0
   38    33    48    51   0.58400 -1.0 2.0
   38    40   -44    48   0.06250  1.0 1.0
   38    40   -44    48  -0.01100 -1.0 2.0
   38    40   -44    48   0.28050  1.0 3.0
   38    40    45    46   0.15000  1.0 3.0
   38    40    45    47   0.15000  1.0 3.0
   38    40    45    50   0.62750  1.0 1.0
   38    40    45    50  -0.30950 -1.0 2.0
   38    40    45    50   0.27300  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.23400  1.0 3.0
   39    38    40    45   0.15000  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44   -48    33   0.06250  1.0 1.0
   40    44   -48    33  -0.01100 -1.0 2.0
   40    44   -48    33   0.28050  1.0 3.0
   40    44    48    49   0.37050  1.0 3.0
   40    44    48    51  -2.37750  1.0 1.0
   40    44    48    51  -0.08150 -1.0 2.0
   40    44    48    51   0.59000  1.0 3.0
   40    45    50    52  -2.65550  1.0 1.0
   40    45    50    52  -0.22350 -1.0 2.0
   40    45    50    52   0.24150  1.0 3.0
   41    40    44    48   0.37050  1.0 3.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    47   0.15000  1.0 3.0
   41    40    45    50   0.23400  1.0 3.0
   44    40    45    46   0.23400  1.0 3.0
   44    40    45    47   0.23400  1.0 3.0
   44    40    45    50   1.11900  1.0 1.0
   44    40    45    50  -1.16350 -1.0 2.0
   44    40    45    50  -0.34150  1.0 3.0
   44    48    51    54   0.10350  1.0 1.0
   44    48    51    54  -0.15350 -1.0 2.0
   44    48    51    66   0.10350  1.0 1.0
   44    48    51    66  -0.15350 -1.0 2.0
   48    33    38    39   0.15000  1.0 3.0
   48    33   -38    40   3.97050  1.0 1.0
   48    33    38    42   0.86500  1.0 1.0
   48    33    38    42  -0.17500 -1.0 2.0
   48    33    38    42   0.20800  1.0 3.0
   48    51    54    55   3.62500 -1.0 2.0
   48    51    54    59   3.62500 -1.0 2.0
   48    51    66    63   0.81400  1.0 1.0
   48    51    66    63   1.55550 -1.0 2.0
   48    51    66    67   3.62500 -1.0 2.0
   49    48    51    54   0.00000  1.0 1.0
   49    48    51    66   0.00000  1.0 1.0
   51    54   -59    63   3.62500 -1.0 2.0
   51    66    67    68   3.62500 -1.0 2.0
   54    51   -66    63   0.70250  1.0 1.0
   54    51   -66    63   1.56150 -1.0 2.0
   54    51    66    67   3.62500 -1.0 2.0
   54    59   -63    66   3.62500 -1.0 2.0
   54    59    63    71   3.62500 -1.0 2.0
   55    54    59    63   3.62500 -1.0 2.0
   59    63   -66    51   3.62500 -1.0 2.0
   59    63    66    67   3.62500 -1.0 2.0
   59    63    71    70   3.62500 -1.0 2.0
   59    63    71    72   3.62500 -1.0 2.0
   63    66    67    68   3.62500 -1.0 2.0
   63    71    72    73   0.70000 -1.0 2.0
   63    71    72    74   0.70000 -1.0 2.0
   66    51    54    55   3.62500 -1.0 2.0
   66    51   -54    59   3.62500 -1.0 2.0
   66    63    71    70   3.62500 -1.0 2.0
   66    63    71    72   3.62500 -1.0 2.0
   66    67    68    69   3.62500 -1.0 2.0
   66    67   -68    70   3.62500 -1.0 2.0
   67    68    70    71   3.62500 -1.0 2.0
   68    70   -71    63   3.62500 -1.0 2.0
   68    70    71    72   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   70    71    72    73   0.70000 -1.0 2.0
   70    71    72    74   0.70000 -1.0 2.0
   71    63    66    51   3.00000 -1.0 2.0
   71    63   -66    67   3.62500 -1.0 2.0
   45    40    44    48   0.06250  1.0 1.0
   45    40    44    48  -0.01100 -1.0 2.0
   45    40    44    48   0.28050  1.0 3.0
   45    50    52    53   0.00000  1.0 1.0
   45    50    52    56   0.91800  1.0 1.0
   45    50    52    56   0.22900 -1.0 2.0
   45    50    52    56   0.32050  1.0 3.0
   45    50    52    58   0.91800  1.0 1.0
   45    50    52    58   0.22900 -1.0 2.0
   45    50    52    58   0.32050  1.0 3.0
   46    45    50    52   0.03000  1.0 3.0
   47    45    50    52   0.03000  1.0 3.0
   50    52    56    57  -0.22900  1.0 1.0
   50    52    56    57   0.09450 -1.0 2.0
   50    52    56    57  -0.07800  1.0 3.0
   50    52    58    60   0.88300  1.0 1.0
   50    52    58    60   0.16450 -1.0 2.0
   50    52    58    60   0.32850  1.0 3.0
   52    58    60    61   0.29800  1.0 3.0
   52    58    60    62   0.29800  1.0 3.0
   52    58    60    64   0.00000  1.0 1.0
   53    52    56    57   0.00000  1.0 1.0
   53    52    58    60   0.00000  1.0 1.0
   56    52    58    60   0.88300  1.0 1.0
   56    52    58    60   0.16450 -1.0 2.0
   56    52    58    60   0.32850  1.0 3.0
   58    52    56    57  -0.22900  1.0 1.0
   58    52    56    57   0.09450 -1.0 2.0
   58    52    56    57  -0.07800  1.0 3.0
   58    60    64    65   0.00000  1.0 1.0
   61    60    64    65   0.67600  1.0 1.0
   61    60    64    65   0.52900 -1.0 2.0
   61    60    64    65   0.12800  1.0 3.0
   62    60    64    65   0.67600  1.0 1.0
   62    60    64    65   0.52900 -1.0 2.0
   62    60    64    65   0.12800  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   3.69350  1.0 1.0
   42    38    40    44  -1.82950 -1.0 2.0
   42    38    40    45   0.86500  1.0 1.0
   42    38    40    45  -0.17500 -1.0 2.0
   42    38    40    45   0.20800  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
   54    66    51    48   4.00000 -1.0 2.0
   59    55    54    51   1.10000 -1.0 2.0
   66    71    63    59   4.00000 -1.0 2.0
   63    67    66    51   4.00000 -1.0 2.0
   70    69    68    67   1.10000 -1.0 2.0
   70    72    71    63   4.00000 -1.0 2.0
   74    71    72    73   1.00000 -1.0 2.0
END
