* LIGAND DATABASE FILE (OPLS2005)
*
001      62    62    105    161     309
    1     0 S   NP   _N1_     1    28.84919    96.83573   -22.20489
    2     1 S   H    _HN1     2     1.02833    44.18328   153.80212
    3     1 S   H    _H1_     3     1.02778    99.63230  -100.35778
    4     1 S   H    _H2_     4     1.02952    68.82346     5.75902
    5     1 S   CT   _CA1     5     1.50073   145.67638   101.22457
    6     5 S   HC   _HA1     6     1.09587   105.23161    95.34341
    7     5 S   CO3  _C1_     7     1.53740   112.64724   -24.90618
    8     7 S   O2Z  _O11     8     1.26361   115.00926   -38.85456
    9     7 S   O2Z  _O12     9     1.26212   114.89640   140.49404
   10     5 S   CT   _CB1    10     1.53101   107.50776  -146.55175
   11    10 S   HC   HB11    11     1.09821   109.33111   -49.86381
   12    10 S   HC   HB12    12     1.09806   110.51142    66.81495
   13    10 S   CT   _CG1    13     1.52908   112.46528  -170.85194
   14    13 S   HC   HG11    14     1.09585   110.70067   -65.95053
   15    13 S   HC   HG12    15     1.09583   109.56046    53.24752
   16    13 S   C    _CD1    16     1.51713   112.58632   173.28744
   17    16 S   O    _OE1    17     1.22695   123.49853     2.25785
   18    16 S   N    _N2_    18     1.38595   111.41541  -177.21920
   19    18 S   H    _HN2    19     1.01639   119.00437     0.02798
   20    18 S   CT1  _CA2    20     1.46035   123.15607   176.92693
   21    20 S   HC   _HA2    21     1.09751   108.56889    26.26893
   22    20 S   C    _C2_    22     1.53533   111.43113   -90.04175
   23    22 S   O    _O2_    23     1.23187   120.87330   173.38363
   24    20 S   CT   _CB2    32     1.53242   110.95063   148.42105
   25    24 S   HC   HB21    33     1.09577   109.92552    52.55369
   26    24 S   HC   HB22    34     1.09518   110.92237   170.91859
   27    22 S   N    _N3_    24     1.37988   115.26982    -9.32881
   28    27 S   H    _HN3    25     1.01517   119.48618     4.03895
   29    24 S   S    _SG2    35     1.83006   111.11675   -70.16274
   30    27 S   CT   _CA3    26     1.45327   123.00043  -178.82364
   31    30 S   HC   HA31    27     1.09554   107.81705   -57.23780
   32    30 S   HC   HA32    28     1.09566   107.58089    59.07200
   33    29 S   CT   _C11    36     1.84111    99.70166   137.93773
   34    33 S   HC   _H3_    37     1.09433   106.52570    37.24477
   35    30 S   CO3  _C3_    29     1.52887   114.29479  -178.86668
   36    35 S   O2Z  _O31    30     1.26378   116.10328     9.09902
   37    35 S   O2Z  _O32    31     1.26383   114.52281  -170.83745
   38    33 S   CM   _C10    38     1.50993   108.02351   -83.45966
   39    38 S   HC   _H5_    39     1.09058   115.98851   -47.69321
   40    33 S   CT   _C12    57     1.53021   108.99419   155.38650
   41    40 S   HC   _H6_    58     1.09835   110.25146   -49.97287
   42    40 S   HC   _H7_    59     1.09845   110.79224    68.53264
   43    38 S   CM   _C9_    40     1.34404   125.97933   131.01669
   44    40 S   CO3  _C13    60     1.53492   114.07903  -168.48821
   45    44 S   O2Z  _O36    61     1.26428   114.30032  -157.91014
   46    44 S   O2Z  _O35    62     1.26282   116.30770    22.97431
   47    43 S   C    _C8_    41     1.49187   117.11752  -176.90642
   48    47 S   O    _O34    42     1.23067   118.61827   -72.95994
   49    43 S   OH   _O37    55     1.37411   125.58631     4.12967
   50    49 S   HO   _H8_    56     0.97436   108.17326    18.90170
   51    47 S   N    _N4_    43     1.40301   115.58933   106.11509
   52    51 S   C    _C7_    44     1.39887   121.42242   174.70269
   53    52 S   O    _O33    45     1.23193   124.15174    -5.04438
   54    52 S   CM   _C6_    46     1.49054   116.49059   175.64252
   55    54 S   Cl   Cl1_    47     1.73010   116.89251  -176.67339
   56    54 S   CM   _C5_    48     1.33522   121.95866     2.76626
   57    56 S   CHZ  _C4_    49     1.47085   114.04953     0.80551
   58    57 S   HC   _H4_    50     1.10187   115.62857   177.06962
   59    56 S   NE   _N6_    52     1.36135   128.68555  -178.69539
   60    59 S   H    _H9_    53     1.01711   120.07740   170.50388
   61    59 S   H    _H10    54     1.01255   119.63535     1.16365
   62    51 S   NI   _N5_    51     1.37394   116.50378    -5.12637
  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
  12   7   2   1   1  11   4   6   4   3   7   2   1   1   9   4
   2   1   8   7   4   8   3   6   5   2   3   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    40    41    42    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    47    49    40    41    42    44    45    46  
   38    39    43    40    41    42    44  
   36    37  
   37  
    0  
   39    43    47    48    51    49    50    40    41    42    44  
   43    47    49    40  
   41    42    44    45    46    43  
   42    44    45    46  
   44    45    46  
   47    48    51    52    62    49    50  
   45    46  
   46  
    0  
   48    51    52    53    54    57    62    49    50  
   51    52    62    49  
   50    51  
    0  
   52    53    54    55    56    57    58    62  
   53    54    55    56    57    62    59  
   54    55    56    62  
   55    56    57    58    62    59    60    61  
   56    57    59  
   57    58    62    59    60    61  
   58    62    59    60    61  
   62    59  
   60    61    62  
   61  
    0  
    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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   44   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   3.7500   0.1050   0.570500   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   49   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   51   3.2500   0.1700  -0.125000   1.8100   1.6000   0.054801302  -1.445846770
   52   3.7500   0.1050   0.570500   1.9250   1.7000   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   54   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   56   3.5500   0.0760  -0.161700   2.0020   1.7750   0.023028004  -0.852763146
   57   3.7500   0.1050   0.387900   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.068500   1.4250   1.2500   0.008598240   0.268726247
   59   3.2500   0.1700  -0.725400   1.8650   1.6500   0.051222218  -2.220205820
   60   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   61   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   62   3.2800   0.1700  -0.276700   1.8540   1.6400   0.005000000   0.000000000
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    43   549.000  1.340
   43    47   410.000  1.444
   43    49   510.000  1.338
   47    48   570.000  1.229
   47    51   490.000  1.335
   51    52   490.000  1.335
   51    62   305.000  1.341
   52    53   570.000  1.229
   52    54   410.000  1.444
   54    55   300.000  1.725
   54    56   549.000  1.340
   56    57   360.000  1.437
   56    59   425.000  1.378
   57    58   375.000  1.090
   57    62   645.000  1.280
   59    60   434.000  1.010
   59    61   434.000  1.010
   49    50   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   317.000  1.522
   44    45   656.000  1.250
   44    46   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  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    70.00000  109.69300
   38    33    34    35.00000  109.50000
   38    43    47    70.00000  118.70000
   38    43    49    80.00000  121.38400
   43    38    39    35.00000  120.00000
   43    47    48    80.00000  125.30000
   43    47    51    80.00000  111.56200
   43    49    50    70.00000  107.45700
   47    51    52    70.00000  121.37400
   47    51    62    75.00000  121.16600
   51    47    48    80.00000  122.90000
   51    52    53    80.00000  122.90000
   51    52    54    80.00000  111.56200
   51    62    57    85.00000  114.80200
   52    54    55    70.00000  120.00000
   52    54    56    70.00000  118.70000
   54    52    53    80.00000  125.30000
   54    56    57    70.00000  117.49700
   54    56    59    70.00000  124.03900
   56    54    55    75.00000  121.50000
   56    57    58    40.00000  113.81000
   56    57    62    65.00000  123.49500
   56    59    60    35.00000  114.50000
   56    59    61    35.00000  114.50000
   62    51    52    75.00000  121.16600
   62    57    58    45.00000  120.68700
   59    56    57    70.00000  124.03900
   61    59    60    35.00000  109.00000
   49    43    47    80.00000  119.00000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    44    45    70.00000  117.00000
   40    44    46    70.00000  117.00000
   42    40    41    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    35.00000  109.50000
   46    44    45    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  -0.62250  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    38    39   0.00000  1.0 1.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    43    47   7.00000 -1.0 2.0
   33    38    43    49   7.00000 -1.0 2.0
   33    40    44    45   0.41150 -1.0 2.0
   33    40    44    46   0.41150 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    44  -0.11250  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    44  -0.98800  1.0 1.0
   38    33    40    44   0.48800 -1.0 2.0
   38    33    40    44   0.76800  1.0 3.0
   38    43    47    48   1.00000 -1.0 2.0
   38    43    47    51   0.49500  1.0 1.0
   38    43    47    51   1.31600 -1.0 2.0
   38    43    47    51  -0.02300  1.0 3.0
   38    43    49    50  -0.66100  1.0 1.0
   38    43    49    50   1.20850 -1.0 2.0
   38    43    49    50  -0.36000  1.0 3.0
   39    38    43    47   7.00000 -1.0 2.0
   39    38    43    49   7.00000 -1.0 2.0
   43    47    51    52   2.45000 -1.0 2.0
   43    47    51    62   2.45000 -1.0 2.0
   47    43    49    50   2.00000 -1.0 2.0
   47    51    52    53   2.22250 -1.0 2.0
   47    51    52    54   2.45000 -1.0 2.0
   47    51    62    57   1.42450 -1.0 2.0
   48    47    51    52   2.22250 -1.0 2.0
   48    47    51    62  -0.75150  1.0 1.0
   48    47    51    62   0.83450 -1.0 2.0
   51    52    54    55   1.50000 -1.0 2.0
   51    52    54    56   0.49500  1.0 1.0
   51    52    54    56   1.31600 -1.0 2.0
   51    52    54    56  -0.02300  1.0 3.0
   52    51    62    57   1.42450 -1.0 2.0
   52    54   -56    57   7.00000 -1.0 2.0
   52    54    56    59   7.00000 -1.0 2.0
   53    52    54    55  -0.52200  1.0 1.0
   53    52    54    55   0.82950 -1.0 2.0
   53    52    54    56   1.00000 -1.0 2.0
   54    56    57    58   1.36050 -1.0 2.0
   54    56    57    62   1.09650  1.0 1.0
   54    56    57    62   0.48950 -1.0 2.0
   54    56    57    62   0.49400  1.0 3.0
   54    56    59    60   1.00000 -1.0 2.0
   54    56    59    61   1.00000 -1.0 2.0
   55    54    56    57   7.00000 -1.0 2.0
   55    54    56    59   7.00000 -1.0 2.0
   56    57   -62    51   6.00000 -1.0 2.0
   57    56    59    60   1.00000 -1.0 2.0
   57    56    59    61   1.00000 -1.0 2.0
   58    57    62    51   4.00000 -1.0 2.0
   62    51    52    53  -0.75150  1.0 1.0
   62    51    52    53   0.83450 -1.0 2.0
   62    51   -52    54   2.45000 -1.0 2.0
   59    56    57    58   7.00000 -1.0 2.0
   59    56    57    62   7.00000 -1.0 2.0
   49    43    47    48  -0.11900  1.0 1.0
   49    43    47    48   0.76850 -1.0 2.0
   49    43    47    48   0.14100  1.0 3.0
   49    43    47    51   1.50000 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    43   0.09850  1.0 1.0
   40    33    38    43   0.15250 -1.0 2.0
   40    33    38    43  -0.50650  1.0 3.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    46   0.00000  1.0 1.0
   42    40    44    45   0.00000  1.0 1.0
   42    40    44    46   0.00000  1.0 1.0
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    39    38    43  15.00000 -1.0 2.0
   47    49    43    38  15.00000 -1.0 2.0
   43    51    47    48  10.50000 -1.0 2.0
   62    47    51    52   1.00000 -1.0 2.0
   51    54    52    53  10.50000 -1.0 2.0
   52    55    54    56   1.10000 -1.0 2.0
   57    59    56    54   1.10000 -1.0 2.0
   56    58    57    62  10.50000 -1.0 2.0
   61    56    59    60   1.00000 -1.0 2.0
   45    40    44    46  10.50000 -1.0 2.0
END
