* LIGAND DATABASE FILE (OPLS2005)
*
001      70    70    118    180     347
    1     0 S   NP   _N1_     1    28.47396    98.09619   -21.87680
    2     1 S   H    _HN1     2     1.02774   103.66569  -119.60761
    3     1 S   H    _H1_     3     1.02953    68.70846   -14.96012
    4     1 S   H    _H2_     4     1.02833    42.33194   138.70402
    5     1 S   CT   _CA1     5     1.50135   141.62179    81.36631
    6     5 S   HC   _HA1     6     1.09573   105.21516    96.59663
    7     5 S   CO3  _C1_     7     1.53790   112.24503   -23.62794
    8     7 S   O2Z  _O11     8     1.26376   114.98421   -45.69216
    9     7 S   O2Z  _O12     9     1.26212   114.94904   133.22580
   10     5 S   CT   _CB1    10     1.53082   107.40542  -145.46397
   11    10 S   HC   HB11    11     1.09831   109.44061   -49.71995
   12    10 S   HC   HB12    12     1.09811   110.42909    66.88340
   13    10 S   CT   _CG1    13     1.52996   112.58981  -170.68561
   14    13 S   HC   HG11    14     1.09581   110.53705   -64.43862
   15    13 S   HC   HG12    15     1.09661   109.84267    54.77134
   16    13 S   C    _CD1    16     1.51838   112.19389   175.40219
   17    16 S   O    _OE1    17     1.22762   123.25926     7.06602
   18    16 S   N    _N2_    18     1.38501   111.79474  -173.42789
   19    18 S   H    _HN2    19     1.01627   118.88738     4.99575
   20    18 S   CT1  _CA2    20     1.45884   122.88420   178.34862
   21    20 S   HC   _HA2    21     1.09717   108.92285    25.88808
   22    20 S   C    _C2_    22     1.52915   106.94451   -91.28686
   23    22 S   O    _O2_    23     1.22979   123.05944   -27.07404
   24    20 S   CT   _CB2    32     1.53072   112.04725   149.14161
   25    24 S   HC   HB21    33     1.09414   109.67837    55.92612
   26    24 S   HC   HB22    34     1.09525   110.75496   173.98383
   27    22 S   N    _N3_    24     1.38491   112.57415   155.59527
   28    27 S   H    _HN3    25     1.01657   120.37074    -1.93411
   29    24 S   S    _SG2    35     1.82708   111.22072   -66.47034
   30    27 S   CT   _CA3    26     1.45356   122.43518   178.65143
   31    30 S   HC   HA31    27     1.09570   107.72962   -57.34300
   32    30 S   HC   HA32    28     1.09565   107.67737    58.97464
   33    29 S   CT   _C12    36     1.85051    99.61752   147.15844
   34    33 S   HC   _H3_    37     1.09385   107.60934    33.65359
   35    30 S   CO3  _C3_    29     1.52883   114.35649  -179.22141
   36    35 S   O2Z  _O31    30     1.26331   116.06457    -0.81277
   37    35 S   O2Z  _O32    31     1.26439   114.41013   179.17362
   38    33 S   CO4  _C11    38     1.53199   105.47875   -85.57237
   39    38 S   O    _O35    39     1.22998   122.94121   -70.39199
   40    33 S   CT   _C13    58     1.54184   110.57971   154.21817
   41    40 S   HC   _H4_    59     1.09464   109.14234    57.52222
   42    38 S   CA   _C9_    40     1.48453   118.85860   105.30185
   43    40 S   CM   _C14    60     1.51756   110.62219  -180.00000
   44    43 S   HC   _H11    61     1.09145   114.62773    62.92314
   45    40 S   CO3  _C17    68     1.54855   112.97121   -63.26185
   46    45 S   O2Z  _O40    69     1.26483   116.15052   -38.04149
   47    45 S   O2Z  _O39    70     1.26518   114.87498   141.89464
   48    42 S   CA   _C8_    41     1.39839   119.91074    44.97238
   49    48 S   HA   _H9_    42     1.08738   119.96081     2.63901
   50    43 S   CM   _C15    62     1.34010   128.98021  -114.70581
   51    48 S   CA   _C7_    43     1.40403   120.64697  -178.03816
   52    50 S   CO3  _C16    63     1.55092   126.59642    -1.58363
   53    52 S   O2Z  _O37    64     1.26794   113.73598   143.60065
   54    52 S   O2Z  _O36    65     1.26097   116.85877   -39.46134
   55    50 S   OH   _O38    66     1.38942   118.67750   176.31008
   56    55 S   HO   _H12    67     0.97507   106.24303  -171.66949
   57    51 S   CA   _C6_    44     1.40751   118.69575    -0.05234
   58    57 S   HA   _H8_    45     1.08650   118.37815   179.64064
   59    51 S   CO3  _C18    55     1.51113   120.69307   179.82754
   60    59 S   O2Z  _O42    56     1.27089   117.28103   175.99611
   61    59 S   O2Z  _O41    57     1.27056   117.30499    -4.07280
   62    57 S   CA   _C5_    46     1.40014   121.24755    -0.45284
   63    42 S   CA   _C10    47     1.40124   120.30769  -134.16549
   64    62 S   OS   _O33    50     1.37183   125.01577   179.86878
   65    63 S   OH   _O34    48     1.37257   121.81202    -1.04624
   66    65 S   HO   _H10    49     0.97401   109.03606   -14.59306
   67    64 S   CT   _C4_    51     1.42203   117.26849    -1.16802
   68    67 S   HC   _H5_    52     1.09430   107.73033  -179.28866
   69    67 S   HC   _H6_    53     1.09493   111.12934    63.02605
   70    67 S   HC   _H7_    54     1.09499   111.17262   -61.58152
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  14   7   2   1   1  12   4  10   6  10  10   4   3   1   1  10
   4   5   8   4   2   1   1   1   9   4   3   1   1   8   4   5
   1   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    43    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    48    63    40    41    43    44    50    45    46    47  
   38    39    42    40    41    43    45  
   36    37  
   37  
    0  
   39    42    48    49    51    62    63    65    40    41    43    45  
   42    48    63    40  
   41    43    44    50    52    55    45    46    47    42  
   43    44    50    45    46    47  
   48    49    51    57    62    63    65    66    64    59  
   44    50    52    53    54    55    56    45    46    47  
   50    52    55    45  
   46    47    50  
   47  
    0  
   49    51    57    58    62    63    65    59    60    61  
   51    57    63    59  
   52    53    54    55    56  
   57    58    62    63    64    59    60    61  
   53    54    55    56  
   54    55  
   55  
   56  
    0  
   58    62    63    65    64    67    59    60    61  
   62    63    64    59  
   60    61    62  
   61  
    0  
   63    65    66    64    67    68    69    70  
   65    66    64    67  
   67    68    69    70    65  
   66  
    0  
   68    69    70  
   69    70  
   70  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0760  -0.261500   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   55   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.7500   0.1050   0.715000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   62   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    42   310.000  1.470
   42    48   469.000  1.400
   42    63   469.000  1.400
   48    49   367.000  1.080
   48    51   469.000  1.400
   51    57   469.000  1.400
   51    59   400.000  1.490
   57    58   367.000  1.080
   57    62   469.000  1.400
   62    63   469.000  1.400
   62    64   450.000  1.364
   63    65   450.000  1.364
   65    66   553.000  0.945
   64    67   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   59    60   656.000  1.250
   59    61   656.000  1.250
   40    41   340.000  1.090
   40    43   317.000  1.510
   40    45   317.000  1.522
   43    44   340.000  1.080
   43    50   549.000  1.340
   50    52   230.000  1.545
   50    55   510.000  1.338
   52    53   656.000  1.250
   52    54   656.000  1.250
   55    56   553.000  0.945
   45    46   656.000  1.250
   45    47   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  110.18000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    42    65.00000  115.47100
   33    40    41    37.50000  110.70000
   33    40    43    70.00000  112.02700
   33    40    45    70.00000  109.69300
   38    33    34    35.00000  109.50000
   38    42    48    60.00000  119.52600
   38    42    63    60.00000  119.52600
   42    38    39    75.00000  123.78400
   42    48    49    35.00000  120.00000
   42    48    51    63.00000  120.00000
   42    63    62    63.00000  120.00000
   42    63    65    70.00000  120.00000
   48    51    57    63.00000  120.00000
   48    51    59    85.00000  120.00000
   51    48    49    35.00000  120.00000
   51    57    58    35.00000  120.00000
   51    57    62    63.00000  120.00000
   51    59    60    80.00000  120.40000
   51    59    61    80.00000  120.40000
   57    62    63    63.00000  120.00000
   57    62    64    70.00000  120.00000
   62    57    58    35.00000  120.00000
   62    63    65    70.00000  120.00000
   62    64    67    75.00000  111.00000
   63    42    48    63.00000  120.00000
   63    65    66    35.00000  113.00000
   64    62    63    70.00000  120.00000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    70    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   59    51    57    85.00000  120.00000
   61    59    60    80.00000  126.00000
   40    33    34    37.50000  110.70000
   40    33    38    63.00000  111.10000
   40    43    44    35.00000  117.00000
   40    43    50    70.00000  124.00000
   40    45    46    70.00000  117.00000
   40    45    47    70.00000  117.00000
   43    40    41    35.00000  109.50000
   43    50    52    55.00000  124.75400
   43    50    55    80.00000  121.38400
   50    43    44    35.00000  120.00000
   50    52    53    85.00000  113.83300
   50    52    54    85.00000  113.83300
   50    55    56    70.00000  107.45700
   54    52    53    80.00000  126.00000
   55    50    52    80.00000  119.00000
   45    40    41    35.00000  109.50000
   45    40    43    65.00000  111.94000
   47    45    46    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    42   0.65300  1.0 1.0
   29    33    38    42  -0.03850 -1.0 2.0
   29    33    38    42   0.33900  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    43   0.56750  1.0 1.0
   29    33    40    43  -0.07550 -1.0 2.0
   29    33    40    43   0.20000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    38    42    48   2.26350  1.0 1.0
   33    38    42    48   0.76750 -1.0 2.0
   33    38    42    48   0.22500  1.0 3.0
   33    38    42    63   2.26350  1.0 1.0
   33    38    42    63   0.76750 -1.0 2.0
   33    38    42    63   0.22500  1.0 3.0
   33    40    43    44   0.00000  1.0 1.0
   33    40    43    50   0.09850  1.0 1.0
   33    40    43    50   0.15250 -1.0 2.0
   33    40    43    50  -0.50650  1.0 3.0
   33    40    45    46   0.41150 -1.0 2.0
   33    40    45    47   0.41150 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   34    33    40    45  -0.11250  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    43  -0.98800  1.0 1.0
   38    33    40    43   0.48800 -1.0 2.0
   38    33    40    43   0.76800  1.0 3.0
   38    33    40    45  -0.30950  1.0 1.0
   38    33    40    45   1.11150 -1.0 2.0
   38    33    40    45   0.40350  1.0 3.0
   38    42    48    49   3.62500 -1.0 2.0
   38    42    48    51   3.62500 -1.0 2.0
   38    42    63    62   3.62500 -1.0 2.0
   38    42    63    65   3.62500 -1.0 2.0
   39    38    42    48   1.05000 -1.0 2.0
   39    38    42    63   1.05000 -1.0 2.0
   42    48    51    57   3.62500 -1.0 2.0
   42    48    51    59   3.62500 -1.0 2.0
   42    63    65    66   0.84100 -1.0 2.0
   48    42    63    62   3.62500 -1.0 2.0
   48    42    63    65   3.62500 -1.0 2.0
   48    51    57    58   3.62500 -1.0 2.0
   48    51   -57    62   3.62500 -1.0 2.0
   48    51    59    60   1.05000 -1.0 2.0
   48    51    59    61   1.05000 -1.0 2.0
   49    48    51    57   3.62500 -1.0 2.0
   49    48    51    59   3.62500 -1.0 2.0
   51    57    62    63   3.62500 -1.0 2.0
   51    57    62    64   3.62500 -1.0 2.0
   57    51    59    60   1.05000 -1.0 2.0
   57    51    59    61   1.05000 -1.0 2.0
   57    62   -63    42   3.62500 -1.0 2.0
   57    62    63    65   3.62500 -1.0 2.0
   57    62    64    67   1.63200 -1.0 2.0
   58    57    62    63   3.62500 -1.0 2.0
   58    57    62    64   3.62500 -1.0 2.0
   62    63    65    66   0.84100 -1.0 2.0
   62    64    67    68   0.08050  1.0 3.0
   62    64    67    69   0.08050  1.0 3.0
   62    64    67    70   0.08050  1.0 3.0
   63    42    48    49   3.62500 -1.0 2.0
   63    42   -48    51   3.62500 -1.0 2.0
   63    62    64    67   1.63200 -1.0 2.0
   64    62    63    42   3.62500 -1.0 2.0
   64    62    63    65   3.62500 -1.0 2.0
   59    51    57    58   3.62500 -1.0 2.0
   59    51    57    62   3.62500 -1.0 2.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33    38    42   0.05850 -1.0 2.0
   40    33    38    42   0.17250  1.0 3.0
   40    43    50    52   7.00000 -1.0 2.0
   40    43    50    55   7.00000 -1.0 2.0
   41    40    43    44   0.33100  1.0 3.0
   41    40    43    50   0.00000  1.0 1.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    47   0.00000  1.0 1.0
   43    40    45    46   0.30150 -1.0 2.0
   43    40    45    47   0.30150 -1.0 2.0
   43    50    52    53  -0.04000 -1.0 2.0
   43    50    52    53  -0.29050  1.0 3.0
   43    50    52    54  -0.04000 -1.0 2.0
   43    50    52    54  -0.29050  1.0 3.0
   43    50    55    56  -0.66100  1.0 1.0
   43    50    55    56   1.20850 -1.0 2.0
   43    50    55    56  -0.36000  1.0 3.0
   44    43    50    52   7.00000 -1.0 2.0
   44    43    50    55   7.00000 -1.0 2.0
   52    50    55    56   2.00000 -1.0 2.0
   55    50    52    53   1.68800 -1.0 2.0
   55    50    52    54   1.68800 -1.0 2.0
   45    40    43    44   0.00000  1.0 1.0
   45    40    43    50  -0.51250  1.0 1.0
   45    40    43    50  -0.88800 -1.0 2.0
   45    40    43    50   0.08850  1.0 3.0
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    42    38    39  10.50000 -1.0 2.0
   48    63    42    38   4.00000 -1.0 2.0
   51    49    48    42   1.10000 -1.0 2.0
   57    59    51    48   4.00000 -1.0 2.0
   62    58    57    51   1.10000 -1.0 2.0
   63    64    62    57   4.00000 -1.0 2.0
   62    65    63    42   4.00000 -1.0 2.0
   60    51    59    61  10.50000 -1.0 2.0
   40    44    43    50  15.00000 -1.0 2.0
   52    55    50    43  15.00000 -1.0 2.0
   53    50    52    54  10.50000 -1.0 2.0
   46    40    45    47  10.50000 -1.0 2.0
END
