* LIGAND DATABASE FILE (OPLS2005)
*
001      59    59    106    158     309
    1     0 S   NP   _N1_     1    28.71469    94.78864   -22.12129
    2     1 S   H    _HN1     2     1.02974    86.93855    23.35535
    3     1 S   H    _H1_     3     1.02819    29.45779   157.13961
    4     1 S   H    _H2_     4     1.02776    95.14191   -84.74278
    5     1 S   CT   _CA1     5     1.50171   139.53424   141.52846
    6     5 S   HC   _HA1     6     1.09584   105.18400    67.32592
    7     5 S   CO3  _C1_     7     1.53773   112.48101   -52.63151
    8     7 S   O2Z  _O11     8     1.26344   115.03732   -41.00111
    9     7 S   O2Z  _O12     9     1.26261   114.91582   138.03789
   10     5 S   CT   _CB1    10     1.53058   107.29040  -174.97516
   11    10 S   HC   HB11    11     1.09819   109.04117   -52.13196
   12    10 S   HC   HB12    12     1.09826   110.43414    64.24740
   13    10 S   CT   _CG1    13     1.53010   112.91378  -173.46049
   14    13 S   HC   HG11    14     1.09596   110.23603   -65.73219
   15    13 S   HC   HG12    15     1.09638   110.19534    53.51146
   16    13 S   C    _CD1    16     1.51805   112.18286   173.46928
   17    16 S   O    _OE1    17     1.22717   123.18292   -11.47217
   18    16 S   N    _N2_    18     1.38629   111.83736   169.72341
   19    18 S   H    _HN2    19     1.01567   119.10616     1.66272
   20    18 S   CT1  _CA2    20     1.46075   123.21810  -179.69290
   21    20 S   HC   _HA2    21     1.09599   109.36965    -2.26512
   22    20 S   C    _C2_    22     1.53507   108.87020  -117.63235
   23    22 S   O    _O2_    23     1.23055   122.05194  -147.09932
   24    20 S   CT   _CB2    32     1.53357   111.61730   119.94505
   25    24 S   HC   HB21    33     1.09658   109.64269    62.07091
   26    24 S   HC   HB22    34     1.09574   110.88155   179.38452
   27    22 S   N    _N3_    24     1.38457   113.64179    40.33411
   28    27 S   H    _HN3    25     1.01504   118.96028    -0.60974
   29    24 S   S    _SG2    35     1.82797   114.72460   -57.81087
   30    27 S   CT   _CA3    26     1.45447   123.49151   175.23424
   31    30 S   HC   HA31    27     1.09518   109.36559    22.97055
   32    30 S   HC   HA32    28     1.09502   107.12346   139.95798
   33    29 S   CT   _C11    36     1.82475    99.83972   -66.29107
   34    33 S   HC   _H13    37     1.09585   109.45860   -48.89748
   35    33 S   HC   _H14    38     1.09343   108.77597    68.28105
   36    30 S   CO3  _C3_    29     1.52888   112.88020  -100.58412
   37    36 S   O2Z  _O31    30     1.26413   115.27146   -49.21179
   38    36 S   O2Z  _O32    31     1.26331   115.07870   131.64664
   39    33 S   CM   _C9_    39     1.51039   110.05440  -169.28006
   40    39 S   CMA  _C10    40     1.35278   124.28071  -110.31721
   41    40 S   OM   _O34    41     1.25811   132.01763     0.86366
   42    40 S   NE   _N5_    42     1.37669   118.99077  -179.22192
   43    42 S   H    _H12    43     1.01401   114.58631   178.21677
   44    42 S   CT1  _C7_    44     1.44941   126.18025     0.38715
   45    44 S   HC   _H3_    45     1.09771   107.57073   115.91278
   46    44 S   C    _C8_    46     1.52924   112.14574     0.40397
   47    46 S   O    _O33    47     1.23353   121.21084   179.32478
   48    44 S   CTF  _C5_    50     1.54603   111.47246  -124.56370
   49    48 S   HC   _H7_    51     1.09835   108.08129   175.65440
   50    39 S   N    _N4_    48     1.38117   115.69683    71.57058
   51    50 S   H    _H11    49     1.01503   117.39111    -1.32663
   52    48 S   CT   _C4_    52     1.53194   111.56960   -67.23107
   53    52 S   HC   _H4_    53     1.09472   111.84360    66.30497
   54    52 S   HC   _H5_    54     1.09500   110.83220   -54.54420
   55    52 S   HC   _H6_    55     1.09545   110.52700  -173.79698
   56    48 S   CT   _C6_    56     1.53285   113.08541    57.34765
   57    56 S   HC   _H8_    57     1.09491   111.78044   -64.60813
   58    56 S   HC   _H9_    58     1.09554   110.41941   175.71120
   59    56 S   HC   _H10    59     1.09456   111.27696    56.48702
  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   6   5   4   3
   9   4   3   2   1   1   9   9   4  10   4  15   7   7   3  10
   8   1   1   7   3   2   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    50  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    46    50    51  
   35    39    40    50  
   39    40    50  
   37    38  
   38  
    0  
   40    41    42    43    44    46    47    50    51  
   41    42    43    44    45    46    50    51    48  
   42    43    44    50  
   43    44    45    46    47    50    48    49    52    56  
   44    45    46    48  
   45    46    47    50    51    48    49    52    53    54    55    56    57    58    59  
   46    47    50    48    49    52    56  
   47    50    51    48    49    52    56  
   50    51    48  
   49    52    53    54    55    56    57    58    59    50  
   52    53    54    55    56    57    58    59  
   51  
    0  
   53    54    55    56    57    58    59  
   54    55    56  
   55    56  
   56  
   57    58    59  
   58    59  
   59  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.2500   0.1700  -0.998700   1.8650   1.6500   0.051222218  -2.220205820
   43   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
   51   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    50   400.000  1.384
   40    41   745.000  1.250
   40    42   415.000  1.382
   42    43   434.000  1.010
   42    44   382.000  1.448
   44    45   340.000  1.090
   44    46   317.000  1.522
   44    48   268.000  1.529
   46    47   570.000  1.229
   46    50   490.000  1.335
   50    51   434.000  1.010
   48    49   340.000  1.090
   48    52   268.000  1.529
   48    56   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    50    70.00000  113.82800
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    75.00000  114.40000
   39    50    46    70.00000  120.89900
   39    50    51    45.00000  117.55000
   40    42    43    50.00000  121.48000
   40    42    44    50.00000  121.00000
   42    40    41   105.00000  113.92000
   42    44    45    35.00000  109.50000
   42    44    46    70.00000  113.51500
   42    44    48    80.00000  109.70000
   44    42    43    35.00000  112.50000
   44    46    47    80.00000  120.40000
   44    46    50    70.00000  116.60000
   44    48    49    37.50000  110.70000
   44    48    52    58.35000  112.70000
   44    48    56    58.35000  112.70000
   46    44    45    35.00000  109.50000
   46    50    51    35.00000  119.80000
   50    39    40    75.00000  120.83300
   50    46    47    80.00000  122.90000
   48    44    45    37.50000  110.70000
   48    44    46    63.00000  111.10000
   48    52    53    37.50000  110.70000
   48    52    54    37.50000  110.70000
   48    52    55    37.50000  110.70000
   48    56    57    37.50000  110.70000
   48    56    58    37.50000  110.70000
   48    56    59    37.50000  110.70000
   52    48    49    37.50000  110.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   56    48    49    37.50000  110.70000
   56    48    52    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    50   0.09700  1.0 1.0
   29    33    39    50   0.15600 -1.0 2.0
   29    33    39    50  -0.50800  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    50    46  -0.45200  1.0 1.0
   33    39    50    46   0.85900 -1.0 2.0
   33    39    50    46   0.16650  1.0 3.0
   33    39    50    51   2.40850 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    50  -0.18050  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    50  -0.18050  1.0 3.0
   39    40    42    43   1.00000 -1.0 2.0
   39    40    42    44  -0.54700  1.0 1.0
   39    40    42    44   1.23000 -1.0 2.0
   40    39    50    46  -0.18900  1.0 1.0
   40    39    50    46   1.70900 -1.0 2.0
   40    39    50    51   0.78350 -1.0 2.0
   40    42    44    45   0.00000  1.0 1.0
   40    42   -44    46  -0.12500  1.0 1.0
   40    42   -44    46  -0.12500 -1.0 2.0
   40    42   -44    46   0.25000  1.0 3.0
   40    42    44    48   0.25450  1.0 1.0
   40    42    44    48  -0.61700 -1.0 2.0
   40    42    44    48  -0.23550  1.0 3.0
   41    40    42    43   1.00000 -1.0 2.0
   41    40    42    44   1.00000 -1.0 2.0
   42    44    46    47   0.00000  1.0 1.0
   42    44    46    50   0.37150  1.0 1.0
   42    44    46    50   1.25400 -1.0 2.0
   42    44    46    50  -0.40250  1.0 3.0
   42    44    48    49   0.23200  1.0 3.0
   42    44    48    52   0.26400  1.0 1.0
   42    44    48    52   0.16150 -1.0 2.0
   42    44    48    52   0.25850  1.0 3.0
   42    44    48    56   0.26400  1.0 1.0
   42    44    48    56   0.16150 -1.0 2.0
   42    44    48    56   0.25850  1.0 3.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    46   0.00000  1.0 1.0
   43    42    44    48   0.00000  1.0 1.0
   44    46   -50    39   0.67100  1.0 1.0
   44    46   -50    39   1.42150 -1.0 2.0
   44    46   -50    39   0.18700  1.0 3.0
   44    46    50    51   2.45000 -1.0 2.0
   44    48    52    53   0.15000  1.0 3.0
   44    48    52    54   0.15000  1.0 3.0
   44    48    52    55   0.15000  1.0 3.0
   44    48    56    57   0.15000  1.0 3.0
   44    48    56    58   0.15000  1.0 3.0
   44    48    56    59   0.15000  1.0 3.0
   45    44    46    47   0.00000  1.0 1.0
   45    44    46    50   0.00000  1.0 1.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    52   0.15000  1.0 3.0
   45    44    48    56   0.15000  1.0 3.0
   46    44    48    49  -0.03800  1.0 3.0
   46    44    48    52  -0.45800  1.0 1.0
   46    44    48    52   0.20550 -1.0 2.0
   46    44    48    56  -0.45800  1.0 1.0
   46    44    48    56   0.20550 -1.0 2.0
   47    46    50    39   2.67200 -1.0 2.0
   47    46    50    51   2.45000 -1.0 2.0
   50    39    40    41   7.00000 -1.0 2.0
   50    39   -40    42   7.00000 -1.0 2.0
   48    44    46    47   0.00000  1.0 1.0
   48    44    46    50   0.93250  1.0 1.0
   48    44    46    50   0.04450 -1.0 2.0
   48    44    46    50   0.17550  1.0 3.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    54   0.15000  1.0 3.0
   49    48    52    55   0.15000  1.0 3.0
   49    48    56    57   0.15000  1.0 3.0
   49    48    56    58   0.15000  1.0 3.0
   49    48    56    59   0.15000  1.0 3.0
   52    48    56    57   0.15000  1.0 3.0
   52    48    56    58   0.15000  1.0 3.0
   52    48    56    59   0.15000  1.0 3.0
   56    48    52    53   0.15000  1.0 3.0
   56    48    52    54   0.15000  1.0 3.0
   56    48    52    55   0.15000  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
   37    30    36    38  10.50000 -1.0 2.0
   33    50    39    40   1.10000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   43    40    42    44   1.00000 -1.0 2.0
   44    50    46    47  10.50000 -1.0 2.0
   51    46    50    39   1.00000 -1.0 2.0
END
