* LIGAND DATABASE FILE (OPLS2005)
*
001      54    53     91    138     271
    1     0 S   NP   _N1_     1    28.38914    96.93248   -20.58707
    2     1 S   H    _HN1     2     1.02957    71.61505   -15.17446
    3     1 S   H    _H1_     3     1.02835    44.74115   125.55341
    4     1 S   H    _H2_     4     1.02776    94.19987  -123.12255
    5     1 S   CT   _CA1     5     1.50138   150.14094    83.92603
    6     5 S   HC   _HA1     6     1.09575   105.19708    89.16350
    7     5 S   CO3  _C1_     7     1.53778   112.37506   -30.99005
    8     7 S   O2Z  _O11     8     1.26365   114.98988   -43.25390
    9     7 S   O2Z  _O12     9     1.26236   114.93131   135.78644
   10     5 S   CT   _CB1    10     1.53090   107.41494  -152.93972
   11    10 S   HC   HB11    11     1.09828   109.29508   -50.42357
   12    10 S   HC   HB12    12     1.09815   110.43956    66.12368
   13    10 S   CT   _CG1    13     1.53022   112.69424  -171.49225
   14    13 S   HC   HG11    14     1.09594   110.50460   -65.19443
   15    13 S   HC   HG12    15     1.09660   109.90159    54.01006
   16    13 S   C    _CD1    16     1.51849   112.30096   174.35541
   17    16 S   O    _OE1    17     1.22753   123.27942     1.42409
   18    16 S   N    _N2_    18     1.38537   111.71976  -178.50341
   19    18 S   H    _HN2    19     1.01553   119.08298     3.93542
   20    18 S   CT1  _CA2    20     1.45889   122.88652   177.86668
   21    20 S   HC   _HA2    21     1.09713   108.93976    25.57642
   22    20 S   C    _C2_    22     1.52891   106.67601   -91.69781
   23    22 S   O    _O2_    23     1.23012   122.91003   -30.56216
   24    20 S   CT   _CB2    32     1.53226   112.14024   148.90257
   25    24 S   HC   HB21    33     1.09434   109.66917    55.03945
   26    24 S   HC   HB22    34     1.09466   109.89715   173.69323
   27    22 S   N    _N3_    24     1.38477   112.73946   152.07970
   28    27 S   H    _HN3    25     1.01668   120.39256    -1.25943
   29    24 S   S    _SG2    35     1.82755   110.79243   -66.45802
   30    27 S   CT   _CA3    26     1.45366   122.33840   178.78872
   31    30 S   HC   HA31    27     1.09568   107.50773   -62.24391
   32    30 S   HC   HA32    28     1.09572   107.86954    54.03196
   33    29 S   CT   _C10    36     1.88912   101.59078   165.14288
   34    30 S   CO3  _C3_    29     1.52868   114.49460   176.01061
   35    34 S   O2Z  _O31    30     1.26310   116.11804    -1.36458
   36    34 S   O2Z  _O32    31     1.26459   114.37716   178.69974
   37    33 S   CT1  _C4_    37     1.55628   111.38923    51.86766
   38    37 S   HC   _H5_    38     1.09840   108.04448   -68.70154
   39    33 S   CM   _C7_    45     1.53918   105.30631   -74.39054
   40    39 S   HC   _H7_    46     1.09106   115.47068   -66.72087
   41    33 S   CO3  _C9_    52     1.58384   101.25712   175.98039
   42    41 S   O2Z  _O3_    53     1.26958   116.67040    57.95368
   43    41 S   O2Z  _O5_    54     1.26479   116.28898  -124.00999
   44    37 S   NT   _N4_    39     1.48063   112.24870   174.88274
   45    44 S   H    _H3_    40     1.02020   108.96521   171.55906
   46    44 S   H    _H4_    41     1.01620   110.73650    54.34915
   47    37 S   CO3  _C5_    42     1.55863   121.33533    51.27659
   48    47 S   O2Z  _O1_    43     1.26963   114.07441  -168.24912
   49    47 S   O2Z  _O33    44     1.26052   117.37130    10.27606
   50    39 S   CM   _C6_    47     1.34135   127.54883   112.19658
   51    50 S   HC   _H6_    48     1.08181   123.86202    -0.48578
   52    50 S   CO4  _C8_    49     1.47691   119.25361  -179.55633
   53    52 S   O    _O4_    50     1.22526   121.79190   179.50347
   54    52 S   HC   _H8_    51     1.10267   116.42177    -0.48173
  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
  16   2   1   1  13   8  11   4   5   1   1   5   2   1   2   1
   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    47    39    40    50    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    44    45    46    47    48    49    39    40    50    51    52    41    42    43  
   35    36  
   36  
    0  
   38    44    45    46    47    48    49    39    40    50    41    42    43  
   44    45    46    47    48    49    39    41  
   40    50    51    52    53    54    41    42    43    44    47  
   50    51    52    41  
   42    43    44    47    50  
   43  
    0  
   45    46    47    48    49  
   46    47  
   47  
   48    49  
   49  
    0  
   51    52    53    54  
   52    53    54  
   53    54  
   54  
    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   0.067500   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   3.5000   0.0660   0.063900   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   45   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   46   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   54   2.4200   0.0150   0.000000   1.3810   1.2100   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    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   268.000  1.529
   33    39   317.000  1.510
   33    41   317.000  1.522
   37    38   340.000  1.090
   37    44   305.000  1.457
   37    47   317.000  1.522
   44    45   434.000  1.010
   44    46   434.000  1.010
   47    48   656.000  1.250
   47    49   656.000  1.250
   39    40   340.000  1.080
   39    50   549.000  1.340
   50    51   340.000  1.080
   50    52   320.000  1.462
   52    53   570.000  1.229
   52    54   340.000  1.090
   41    42   656.000  1.250
   41    43   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    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  108.68000
   29    33    39    75.00000  112.20000
   29    33    41    70.00000  116.78000
   33    37    38    37.50000  110.70000
   33    37    44    80.00000  111.22000
   33    37    47    63.00000  111.10000
   33    39    40    35.00000  117.00000
   33    39    50    70.00000  124.00000
   33    41    42    70.00000  117.00000
   33    41    43    70.00000  117.00000
   37    44    45    50.00000  111.55300
   37    44    46    50.00000  111.55300
   37    47    48    70.00000  117.00000
   37    47    49    70.00000  117.00000
   44    37    38    50.00000  109.55000
   46    44    45    43.60000  106.40000
   47    37    38    35.00000  109.50000
   47    37    44    75.00000  111.54000
   49    47    48    80.00000  126.00000
   39    33    37    70.00000  112.02700
   39    50    51    35.00000  120.00000
   39    50    52    65.00000  118.96000
   50    39    40    35.00000  120.00000
   50    52    53    80.00000  123.72100
   50    52    54    40.00000  115.75000
   52    50    51    40.00000  117.72500
   54    52    53    35.00000  123.00000
   41    33    37    63.00000  111.10000
   41    33    39    65.00000  111.94000
   43    41    42    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    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  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
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    38   0.15000  1.0 3.0
   29    33    37    44   0.56750  1.0 1.0
   29    33    37    44  -0.07550 -1.0 2.0
   29    33    37    44   0.20000  1.0 3.0
   29    33    37    47  -2.17200  1.0 1.0
   29    33    37    47  -0.85700 -1.0 2.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    50   0.42700  1.0 1.0
   29    33    39    50  -0.70350 -1.0 2.0
   29    33    39    50  -0.43150  1.0 3.0
   29    33    41    42   0.30150 -1.0 2.0
   29    33    41    43   0.30150 -1.0 2.0
   33    37    44    45  -0.05950  1.0 1.0
   33    37    44    45   0.08850 -1.0 2.0
   33    37    44    45   0.11750  1.0 3.0
   33    37    44    46  -0.05950  1.0 1.0
   33    37    44    46   0.08850 -1.0 2.0
   33    37    44    46   0.11750  1.0 3.0
   33    37    47    48   0.00000  1.0 1.0
   33    37    47    49   0.00000  1.0 1.0
   33    39    50    51   7.00000 -1.0 2.0
   33    39    50    52   7.00000 -1.0 2.0
   37    33    39    40   0.00000  1.0 1.0
   37    33    39    50   0.09850  1.0 1.0
   37    33    39    50   0.15250 -1.0 2.0
   37    33    39    50  -0.50650  1.0 3.0
   37    33    41    42   0.27300 -1.0 2.0
   37    33    41    43   0.27300 -1.0 2.0
   38    37    44    45   0.20000  1.0 3.0
   38    37    44    46   0.20000  1.0 3.0
   38    37    47    48   0.00000  1.0 1.0
   38    37    47    49   0.00000  1.0 1.0
   44    37    47    48   0.30150 -1.0 2.0
   44    37    47    49   0.30150 -1.0 2.0
   47    37    44    45   0.21900  1.0 1.0
   47    37    44    45  -0.24900 -1.0 2.0
   47    37    44    45   0.15200  1.0 3.0
   47    37    44    46   0.21900  1.0 1.0
   47    37    44    46  -0.24900 -1.0 2.0
   47    37    44    46   0.15200  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    44   0.59950  1.0 1.0
   39    33    37    44  -0.21400 -1.0 2.0
   39    33    37    44   0.56200  1.0 3.0
   39    33    37    47  -0.98800  1.0 1.0
   39    33    37    47   0.48800 -1.0 2.0
   39    33    37    47   0.76800  1.0 3.0
   39    33    41    42   0.30150 -1.0 2.0
   39    33    41    43   0.30150 -1.0 2.0
   39    50    52    53   1.00000 -1.0 2.0
   39    50    52    54  -0.79650  1.0 1.0
   39    50    52    54   1.60950 -1.0 2.0
   39    50    52    54  -0.26250  1.0 3.0
   40    39    50    51   7.00000 -1.0 2.0
   40    39    50    52   7.00000 -1.0 2.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    54   0.93100 -1.0 2.0
   41    33    37    38   0.15000  1.0 3.0
   41    33    37    44  -3.56550  1.0 1.0
   41    33    37    44  -0.67500 -1.0 2.0
   41    33    37    44   1.11300  1.0 3.0
   41    33    37    47  -2.38700  1.0 1.0
   41    33    37    47   1.51550 -1.0 2.0
   41    33    39    40   0.00000  1.0 1.0
   41    33    39    50  -0.51250  1.0 1.0
   41    33    39    50  -0.88800 -1.0 2.0
   41    33    39    50   0.08850  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   48    37    47    49  10.50000 -1.0 2.0
   33    40    39    50  15.00000 -1.0 2.0
   52    51    50    39  15.00000 -1.0 2.0
   50    54    52    53  10.50000 -1.0 2.0
   42    33    41    43  10.50000 -1.0 2.0
END
