* LIGAND DATABASE FILE (OPLS2005)
*
001      69    71    125    202     370
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02077    62.80453    77.76330
    3     1 S   H    _H1_     3     1.02135    49.58113  -126.60004
    4     1 S   H    _H2_     4     1.02038   106.00877   -25.42191
    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   _C14    36     1.80580    98.15735  -158.19208
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C4_    37     1.48988   113.44499  -180.00000
   38    33 S   CD   _C10    46     1.53666   107.42362    72.36131
   39    38 S   HC   _H24    47     1.10043   121.01843   -62.83282
   40    33 S   CT   _C15    51     1.52390   111.73106   -48.29756
   41    40 S   HC   _H28    52     1.08389   108.88411    69.00765
   42    40 S   HC   _H29    53     1.08260   109.19504   -51.69875
   43    37 S   C    _C5_    38     1.37252   134.39965    68.00129
   44    43 S   O    _O18    39     1.27775   123.04149    -0.63858
   45    40 S   NTH  _N17    54     1.42536   109.90778  -171.45670
   46    45 S   H    _H33    55     1.03034   110.90755   -58.96067
   47    43 S   NI   _N13    40     1.35353   122.20730   179.54286
   48    45 S   CT   _C11    56     1.45391   112.08457  -179.43490
   49    48 S   HC   _H25    57     1.09800   109.66413    43.80274
   50    47 S   CDX  _C7_    41     1.35942   115.64255    -0.17914
   51    48 S   CM   _C8_    58     1.50193   114.07647   -77.74894
   52    51 S   HC   _H22    59     1.08133   124.39000    41.90878
   53    50 S   NE   _N15    42     1.34284   125.04546    -0.11703
   54    53 S   H    _H30    43     1.01745   120.84016  -179.65338
   55    50 S   NE   _N16    48     1.40600   119.37458  -179.89347
   56    55 S   H    _H31    49     1.00184   119.44244    -3.14859
   57    55 S   H    _H32    50     1.00266   119.32981  -176.86625
   58    51 S   CM   _C9_    60     1.33877   111.42466  -141.64485
   59    58 S   HC   _H23    61     1.08000   124.44808  -176.75388
   60    37 S   CM   _C6_    44     1.38545   107.47878  -112.75751
   61    58 S   CT   _C12    62     1.49622   111.05403     0.12195
   62    61 S   HC   _H26    63     1.09652   109.28180   -99.15171
   63    60 S   NI   _N14    45     1.39821   113.90052    -0.38359
   64    48 S   CT   _C13    64     1.54289   113.31197   167.03152
   65    64 S   HC   _H27    65     1.09501   112.25490   -85.12875
   66    61 S   OH   _O19    68     1.41336   111.45939   139.84802
   67    66 S   HO   _H34    69     0.97316   107.22954    59.95472
   68    64 S   OH   _O20    66     1.42927   110.25288    35.00643
   69    68 S   HO   _H35    67     0.96804   106.28047    60.01725
  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  11   5   4   3
  15   2   1   1  14   9   3  11   4   3   7   3  10   4   7  12
   7   7   9   4   6   3   3   1   1   8   4   1   7   5   1   5
   3   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    43    60    63    38    39    40    41    42    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    43    44    47    53    60    63    38    39    40    41    42    45    46    48  
   35    36  
   36  
    0  
   43    44    47    50    53    54    60    63    38    39    40    41    42    45  
   39    40    41    42    45    43    53    60    63  
   40    60    63  
   41    42    45    46    48    49    51    64    43    60    63  
   42    45    46    48  
   45    46    48  
   44    47    50    53    60    63    55  
   47    50    60  
   46    48    49    51    52    58    61    64    65    68  
   48    49    51    64  
   50    53    54    60    55    56    57  
   49    51    52    58    59    61    62    64    65    68    69    66  
   51    52    58    61    64    65    68  
   53    54    60    63    55    56    57  
   52    58    59    61    62    64    65    68    66  
   58    59    61    64  
   54    60    63    55    56    57  
   60    63    55  
   56    57    60  
   57  
    0  
   59    61    62    64    65    68    66    67  
   61    62    64    66  
   63  
   62    64    65    68    69    66    67  
   64    65    68    66    67  
    0  
   65    68    69    66    67  
   68    69    66  
   67    68  
    0  
   69  
    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   0.203600   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.7500   0.1050   0.313400   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.040200   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.723800   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.617900   1.6780   1.4800   0.001000000  -0.126889456
   45   3.3000   0.1700  -0.780000   1.8650   1.6500   0.051222218  -2.220205820
   46   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.2800   0.1700  -0.795000   1.9250   1.7000   0.054801302  -2.445846770
   48   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   0.1050   0.729100   2.1120   1.8750   0.001000000  -0.126889456
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.2500   0.1700  -0.507500   2.1120   1.8750   0.051222218  -2.220205820
   54   0.5000   0.0300   0.410000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.2500   0.1700  -0.785000   2.1120   1.8750   0.051222218  -2.220205820
   56   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   57   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760   0.245000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    38   270.000  1.508
   33    40   268.000  1.529
   37    43   410.000  1.444
   37    60   549.000  1.340
   43    44   570.000  1.229
   43    47   415.000  1.368
   47    50   650.000  1.285
   50    53   445.000  1.380
   50    55   445.000  1.380
   53    54   434.000  1.010
   53    60   425.000  1.378
   60    63   405.000  1.380
   63    38   500.000  1.261
   38    39   370.000  1.093
   55    56   434.000  1.010
   55    57   434.000  1.010
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   305.000  1.454
   45    46   500.000  1.015
   45    48   305.000  1.454
   48    49   340.000  1.090
   48    51   317.000  1.510
   48    64   268.000  1.529
   51    52   340.000  1.080
   51    58   549.000  1.340
   58    59   340.000  1.080
   58    61   317.000  1.510
   61    62   340.000  1.090
   61    64   268.000  1.529
   61    66   320.000  1.410
   64    65   340.000  1.090
   64    68   320.000  1.410
   68    69   553.000  0.945
   66    67   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    38    75.00000  114.43000
   29    33    40    75.00000  111.63000
   33    37    43    70.00000  119.70000
   33    37    60    70.00000  124.00000
   33    38    63    65.00000  122.10100
   33    38    39    40.00000  113.58700
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    80.00000  111.29100
   37    43    44    80.00000  125.30000
   37    43    47    75.00000  112.93000
   37    60    53    70.00000  124.03900
   37    60    63    70.00000  120.83400
   43    47    50    75.00000  109.13600
   47    43    44    80.00000  126.08800
   47    50    53    75.00000  124.36500
   47    50    55    75.00000  124.36500
   50    53    54    35.00000  119.50000
   50    53    60    75.00000  119.57500
   50    55    56    35.00000  119.50000
   50    55    57    35.00000  119.50000
   53    60    63    85.00000  113.56000
   60    37    43    70.00000  118.70000
   60    53    54    35.00000  114.50000
   60    63    38    75.00000  115.77100
   63    38    39    45.00000  120.55300
   38    33    37    70.00000  110.51600
   55    50    53    85.00000  116.27000
   57    55    56    35.00000  109.00000
   40    33    37    70.00000  112.02700
   40    33    38    70.00000  111.76100
   40    45    46    50.00000  109.23200
   40    45    48    75.00000  112.02600
   42    40    41    33.00000  107.80000
   45    40    41    50.00000  110.59500
   45    40    42    50.00000  110.59500
   45    48    49    50.00000  110.59500
   45    48    51    75.00000  110.70900
   45    48    64    80.00000  111.29100
   48    45    46    50.00000  109.23200
   48    51    52    35.00000  117.00000
   48    51    58    70.00000  124.00000
   48    64    61    58.35000  112.70000
   48    64    65    37.50000  110.70000
   48    64    68    50.00000  109.50000
   51    48    49    35.00000  109.50000
   51    58    59    35.00000  120.00000
   51    58    61    70.00000  124.00000
   58    51    52    35.00000  120.00000
   58    61    62    35.00000  109.50000
   58    61    64    70.00000  112.02700
   58    61    66    90.00000  110.39200
   61    58    59    35.00000  117.00000
   61    64    65    37.50000  110.70000
   61    64    68    50.00000  109.50000
   61    66    67    55.00000  108.50000
   64    48    49    37.50000  110.70000
   64    48    51    70.00000  112.02700
   64    61    62    37.50000  110.70000
   64    68    69    55.00000  108.50000
   68    64    65    35.00000  109.50000
   66    61    62    35.00000  109.50000
   66    61    64    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    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    37    43   0.09700  1.0 1.0
   29    33    37    43   0.15600 -1.0 2.0
   29    33    37    43  -0.50800  1.0 3.0
   29    33    37    60   0.42700  1.0 1.0
   29    33    37    60  -0.70350 -1.0 2.0
   29    33    37    60  -0.43150  1.0 3.0
   29    33    38    63   0.00000  1.0 1.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  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    37    43    44  -0.64400  1.0 1.0
   33    37    43    44   0.26850 -1.0 2.0
   33    37    43    47   1.50000 -1.0 2.0
   33    37    60    53   7.00000 -1.0 2.0
   33    37   -60    63   7.00000 -1.0 2.0
   33    40    45    46   0.03200  1.0 1.0
   33    40    45    46   0.33800 -1.0 2.0
   33    40    45    48  -0.35450  1.0 1.0
   33    40    45    48   0.44050 -1.0 2.0
   33    40    45    48   0.77100  1.0 3.0
   37    33   -38    63   0.00000  1.0 1.0
   37    33    38    39   0.00000  1.0 1.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    45   0.59950  1.0 1.0
   37    33    40    45  -0.21400 -1.0 2.0
   37    33    40    45   0.56200  1.0 3.0
   37    43    47    50   1.50000 -1.0 2.0
   37    60   -63    38   1.00000 -1.0 2.0
   43    37    60    53   7.00000 -1.0 2.0
   43    37    60    63   7.00000 -1.0 2.0
   43    47   -50    53   6.00000 -1.0 2.0
   43    47    50    55   6.00000 -1.0 2.0
   44    43    47    50   3.09300 -1.0 2.0
   47    50    53    54   1.50000 -1.0 2.0
   47    50    53    60   1.00000 -1.0 2.0
   47    50    55    56   1.50000 -1.0 2.0
   47    50    55    57   1.50000 -1.0 2.0
   50    53   -60    37  -0.54500  1.0 1.0
   50    53   -60    37   1.14150 -1.0 2.0
   50    53    60    63   1.00000 -1.0 2.0
   53    50    55    56   1.00000 -1.0 2.0
   53    50    55    57   1.00000 -1.0 2.0
   53    60    63    38   1.00000 -1.0 2.0
   54    53    60    37   1.00000 -1.0 2.0
   54    53    60    63   1.00000 -1.0 2.0
   60    37    43    44   1.00000 -1.0 2.0
   60    37   -43    47   0.50400  1.0 1.0
   60    37   -43    47   1.60000 -1.0 2.0
   60    37   -43    47  -0.01800  1.0 3.0
   60    63   -38    33   6.00000 -1.0 2.0
   60    63    38    39   4.00000 -1.0 2.0
   38    33    37    43   0.09700  1.0 1.0
   38    33    37    43   0.15600 -1.0 2.0
   38    33    37    43  -0.50800  1.0 3.0
   38    33   -37    60  -0.28300  1.0 1.0
   38    33   -37    60   0.26700 -1.0 2.0
   38    33   -37    60  -0.63300  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    45   0.59950  1.0 1.0
   38    33    40    45  -0.21400 -1.0 2.0
   38    33    40    45   0.56200  1.0 3.0
   55    50    53    54   1.00000 -1.0 2.0
   55    50    53    60   1.00000 -1.0 2.0
   40    33    37    43   0.09700  1.0 1.0
   40    33    37    43   0.15600 -1.0 2.0
   40    33    37    43  -0.50800  1.0 3.0
   40    33    37    60   0.09850  1.0 1.0
   40    33    37    60   0.15250 -1.0 2.0
   40    33    37    60  -0.50650  1.0 3.0
   40    33    38    63   0.00000  1.0 1.0
   40    33    38    39   0.00000  1.0 1.0
   40    45    48    49   0.28000  1.0 3.0
   40    45    48    51  -0.60800  1.0 1.0
   40    45    48    51   1.10050 -1.0 2.0
   40    45    48    51   0.47000  1.0 3.0
   40    45    48    64  -0.35450  1.0 1.0
   40    45    48    64   0.44050 -1.0 2.0
   40    45    48    64   0.77100  1.0 3.0
   41    40    45    46   0.20000  1.0 3.0
   41    40    45    48   0.28000  1.0 3.0
   42    40    45    46   0.20000  1.0 3.0
   42    40    45    48   0.28000  1.0 3.0
   45    48    51    52   0.00000  1.0 1.0
   45    48    51    58   0.90200  1.0 1.0
   45    48    51    58   0.57900 -1.0 2.0
   45    48    51    58  -0.62100  1.0 3.0
   45    48    64    61   1.85550  1.0 1.0
   45    48    64    61  -0.84100 -1.0 2.0
   45    48    64    65   0.15000  1.0 3.0
   45    48    64    68   4.49050  1.0 1.0
   46    45    48    49   0.20000  1.0 3.0
   46    45    48    51   0.12450  1.0 1.0
   46    45    48    51  -0.40750 -1.0 2.0
   46    45    48    51   0.30300  1.0 3.0
   46    45    48    64   0.03200  1.0 1.0
   46    45    48    64   0.33800 -1.0 2.0
   48    51    58    59   7.00000 -1.0 2.0
   48    51   -58    61   7.00000 -1.0 2.0
   48    64    68    69  -0.11600  1.0 1.0
   48    64    68    69  -0.09450 -1.0 2.0
   48    64    68    69   0.21250  1.0 3.0
   49    48    51    52   0.33100  1.0 3.0
   49    48    51    58   0.00000  1.0 1.0
   49    48    64    61   0.15000  1.0 3.0
   49    48    64    65   0.15000  1.0 3.0
   49    48    64    68   0.23400  1.0 3.0
   51    48   -64    61   0.34400  1.0 1.0
   51    48   -64    61   0.09450 -1.0 2.0
   51    48   -64    61   0.11100  1.0 3.0
   51    48    64    65   0.15000  1.0 3.0
   51    48    64    68   1.05650  1.0 1.0
   51    48    64    68   0.15600 -1.0 2.0
   51    48    64    68   0.53150  1.0 3.0
   51    58    61    62   0.00000  1.0 1.0
   51    58   -61    64   0.09850  1.0 1.0
   51    58   -61    64   0.15250 -1.0 2.0
   51    58   -61    64  -0.50650  1.0 3.0
   51    58    61    66   0.67800  1.0 1.0
   51    58    61    66   0.47050 -1.0 2.0
   51    58    61    66  -0.62500  1.0 3.0
   52    51    58    59   7.00000 -1.0 2.0
   52    51    58    61   7.00000 -1.0 2.0
   58    61   -64    48   0.34400  1.0 1.0
   58    61   -64    48   0.09450 -1.0 2.0
   58    61   -64    48   0.11100  1.0 3.0
   58    61    64    65   0.15000  1.0 3.0
   58    61    64    68   1.05650  1.0 1.0
   58    61    64    68   0.15600 -1.0 2.0
   58    61    64    68   0.53150  1.0 3.0
   58    61    66    67  -0.07800  1.0 1.0
   58    61    66    67  -0.21500 -1.0 2.0
   58    61    66    67  -0.03150  1.0 3.0
   59    58    61    62   0.33100  1.0 3.0
   59    58    61    64   0.00000  1.0 1.0
   59    58    61    66   0.00000  1.0 1.0
   61    64    68    69  -0.11600  1.0 1.0
   61    64    68    69  -0.09450 -1.0 2.0
   61    64    68    69   0.21250  1.0 3.0
   62    61    64    48   0.15000  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    68   0.23400  1.0 3.0
   62    61    66    67   0.19450  1.0 3.0
   64    48    51    52   0.00000  1.0 1.0
   64    48   -51    58   0.09850  1.0 1.0
   64    48   -51    58   0.15250 -1.0 2.0
   64    48   -51    58  -0.50650  1.0 3.0
   64    61    66    67  -0.11600  1.0 1.0
   64    61    66    67  -0.09450 -1.0 2.0
   64    61    66    67   0.21250  1.0 3.0
   65    64    68    69   0.19450  1.0 3.0
   66    61    64    48   0.86500  1.0 1.0
   66    61    64    48  -0.17500 -1.0 2.0
   66    61    64    48   0.20800  1.0 3.0
   66    61    64    65   0.23400  1.0 3.0
   66    61    64    68   3.75450  1.0 1.0
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
   36    30    34    35  10.50000 -1.0 2.0
   33    43    37    60   1.10000 -1.0 2.0
   37    47    43    44  10.50000 -1.0 2.0
   53    55    50    47  10.50000 -1.0 2.0
   54    50    53    60   1.00000 -1.0 2.0
   53    63    60    37   1.10000 -1.0 2.0
   33    39    38    63  10.50000 -1.0 2.0
   57    50    55    56   1.00000 -1.0 2.0
   48    52    51    58   1.10000 -1.0 2.0
   61    59    58    51   1.10000 -1.0 2.0
END
