* LIGAND DATABASE FILE (OPLS2005)
*
001      54    53     91    138     271
    1     0 S   NP   _N1_     1    28.79677    95.98359   -21.98438
    2     1 S   H    _HN1     2     1.02833    35.29503   139.48067
    3     1 S   H    _H1_     3     1.02773    97.50489  -109.97389
    4     1 S   H    _H2_     4     1.02959    79.06675    -2.61187
    5     1 S   CT   _CA1     5     1.50157   142.61341   106.68201
    6     5 S   HC   _HA1     6     1.09559   105.23279    78.77377
    7     5 S   CO3  _C1_     7     1.53863   112.30884   -41.57914
    8     7 S   O2Z  _O11     8     1.26391   114.94973   -41.31450
    9     7 S   O2Z  _O12     9     1.26202   115.03223   137.68807
   10     5 S   CT   _CB1    10     1.53102   107.41569  -163.02867
   11    10 S   HC   HB11    11     1.09829   109.69590   -47.21620
   12    10 S   HC   HB12    12     1.09814   110.26703    69.45346
   13    10 S   CT   _CG1    13     1.52998   112.57966  -168.09251
   14    13 S   HC   HG11    14     1.09550   110.54114   -61.85851
   15    13 S   HC   HG12    15     1.09645   109.86324    57.37999
   16    13 S   C    _CD1    16     1.51815   112.21644   178.31984
   17    16 S   O    _OE1    17     1.22732   123.21208     8.20155
   18    16 S   N    _N2_    18     1.38587   111.76224  -172.61642
   19    18 S   H    _HN2    19     1.01561   118.94389     4.31910
   20    18 S   CT1  _CA2    20     1.46308   123.50636  -176.75333
   21    20 S   HC   _HA2    21     1.09730   109.32939     4.34005
   22    20 S   C    _C2_    22     1.53494   108.98400  -111.64338
   23    22 S   O    _O2_    23     1.23064   122.05941  -145.67409
   24    20 S   CT   _CB2    32     1.53598   111.22372   126.01164
   25    24 S   HC   HB21    33     1.09245   109.07727    60.18522
   26    24 S   HC   HB22    34     1.09491   110.14000   178.50538
   27    22 S   N    _N3_    24     1.38443   113.73341    41.67080
   28    27 S   H    _HN3    25     1.01474   119.04563    -0.21670
   29    24 S   S    _SG2    35     1.82875   111.08552   -61.81181
   30    27 S   CT   _CA3    26     1.45457   123.47005   175.50669
   31    30 S   HC   HA31    27     1.09519   109.33723    23.27729
   32    30 S   HC   HA32    28     1.09501   107.11159   140.25679
   33    29 S   CT   _C10    36     1.87322   102.15407   163.35500
   34    30 S   CO3  _C3_    29     1.52895   112.96900  -100.28241
   35    34 S   O2Z  _O31    30     1.26409   115.31298   -47.71006
   36    34 S   O2Z  _O32    31     1.26343   115.04655   133.19176
   37    33 S   CO3  _C8_    37     1.57607    99.17240   172.11218
   38    37 S   O2Z  _O10    38     1.26581   115.98605    94.73723
   39    37 S   O2Z  _O13    39     1.26969   116.08729   -83.47327
   40    33 S   CT   _C9_    40     1.55110   113.36424   -60.98335
   41    40 S   HC   _H18    41     1.10062   107.29524    71.28602
   42    33 S   NT   _N8_    52     1.47480   109.30904    61.02821
   43    42 S   H    _H19    53     1.01671   109.82110   -61.88188
   44    42 S   H    _H20    54     1.02006   108.35989    54.54702
   45    40 S   CM   _C5_    42     1.52140   115.27362   -48.89247
   46    45 S   HC   _H16    43     1.08717   117.29203   -64.15459
   47    40 S   CO3  _C7_    49     1.55360   116.99527  -173.36008
   48    47 S   O2Z  _O9_    50     1.26865   114.42629  -162.65750
   49    47 S   O2Z  _O34    51     1.26101   117.13316    16.20730
   50    45 S   CM   _C4_    44     1.33997   122.90658   116.10801
   51    50 S   HC   _H15    45     1.08324   122.43680     0.38765
   52    50 S   CO4  _C6_    46     1.47416   119.99563  -179.16584
   53    52 S   O    _O33    47     1.22549   121.46015   178.70321
   54    52 S   HC   _H17    48     1.10259   116.47207    -0.90049
  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
  14   2   1   1   9   3   2  12   7   4   1   1   9   4   3   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    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    45    47    42    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    45    46    50    47    48    49    42    43    44  
   35    36  
   36  
    0  
   38    39    40    41    45    47    42    43    44  
   39    40    42  
   40    42  
   41    45    46    50    51    52    47    48    49    42    43    44  
   45    46    50    47    48    49    42  
   43    44    45    47  
   44  
    0  
   46    50    51    52    53    54    47    48    49  
   50    51    52    47  
   48    49    50  
   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   0.247500   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   43   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   44   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   317.000  1.522
   33    40   268.000  1.529
   33    42   382.000  1.448
   37    38   656.000  1.250
   37    39   656.000  1.250
   40    41   340.000  1.090
   40    45   317.000  1.510
   40    47   317.000  1.522
   45    46   340.000  1.080
   45    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
   47    48   656.000  1.250
   47    49   656.000  1.250
   42    43   434.000  1.010
   42    44   434.000  1.010
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    70.00000  116.78000
   29    33    40    75.00000  111.63000
   29    33    42    85.00000  109.00000
   33    37    38    70.00000  117.00000
   33    37    39    70.00000  117.00000
   33    40    41    37.50000  110.70000
   33    40    45    70.00000  112.02700
   33    40    47    70.00000  109.69300
   33    42    43    35.00000  109.50000
   33    42    44    35.00000  109.50000
   39    37    38    80.00000  126.00000
   40    33    37    70.00000  109.69300
   40    45    46    35.00000  117.00000
   40    45    50    70.00000  124.00000
   40    47    48    70.00000  117.00000
   40    47    49    70.00000  117.00000
   45    40    41    35.00000  109.50000
   45    50    51    35.00000  120.00000
   45    50    52    65.00000  118.96000
   50    45    46    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
   47    40    41    35.00000  109.50000
   47    40    45    65.00000  111.94000
   49    47    48    80.00000  126.00000
   42    33    37    80.00000  109.96600
   42    33    40    56.20000  109.47000
   44    42    43    43.60000  106.40000
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    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
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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   0.30150 -1.0 2.0
   29    33    37    39   0.30150 -1.0 2.0
   29    33    40    41   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
   29    33    40    47   0.56750  1.0 1.0
   29    33    40    47  -0.07550 -1.0 2.0
   29    33    40    47   0.20000  1.0 3.0
   29    33    42    43  -0.05900  1.0 1.0
   29    33    42    43   0.08350 -1.0 2.0
   29    33    42    43   0.12500  1.0 3.0
   29    33    42    44  -0.05900  1.0 1.0
   29    33    42    44   0.08350 -1.0 2.0
   29    33    42    44   0.12500  1.0 3.0
   33    40    45    46   0.00000  1.0 1.0
   33    40    45    50   0.09850  1.0 1.0
   33    40    45    50   0.15250 -1.0 2.0
   33    40    45    50  -0.50650  1.0 3.0
   33    40    47    48   0.41150 -1.0 2.0
   33    40    47    49   0.41150 -1.0 2.0
   37    33    40    41  -0.11250  1.0 3.0
   37    33    40    45  -0.98800  1.0 1.0
   37    33    40    45   0.48800 -1.0 2.0
   37    33    40    45   0.76800  1.0 3.0
   37    33    40    47  -0.30950  1.0 1.0
   37    33    40    47   1.11150 -1.0 2.0
   37    33    40    47   0.40350  1.0 3.0
   37    33    42    43   0.21900  1.0 1.0
   37    33    42    43  -0.24900 -1.0 2.0
   37    33    42    43   0.15200  1.0 3.0
   37    33    42    44   0.21900  1.0 1.0
   37    33    42    44  -0.24900 -1.0 2.0
   37    33    42    44   0.15200  1.0 3.0
   40    33    37    38   0.41150 -1.0 2.0
   40    33    37    39   0.41150 -1.0 2.0
   40    33    42    43  -0.05950  1.0 1.0
   40    33    42    43   0.08850 -1.0 2.0
   40    33    42    43   0.11750  1.0 3.0
   40    33    42    44  -0.05950  1.0 1.0
   40    33    42    44   0.08850 -1.0 2.0
   40    33    42    44   0.11750  1.0 3.0
   40    45    50    51   7.00000 -1.0 2.0
   40    45    50    52   7.00000 -1.0 2.0
   41    40    45    46   0.33100  1.0 3.0
   41    40    45    50   0.00000  1.0 1.0
   41    40    47    48   0.00000  1.0 1.0
   41    40    47    49   0.00000  1.0 1.0
   45    40    47    48   0.30150 -1.0 2.0
   45    40    47    49   0.30150 -1.0 2.0
   45    50    52    53   1.00000 -1.0 2.0
   45    50    52    54  -0.79650  1.0 1.0
   45    50    52    54   1.60950 -1.0 2.0
   45    50    52    54  -0.26250  1.0 3.0
   46    45    50    51   7.00000 -1.0 2.0
   46    45    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
   47    40    45    46   0.00000  1.0 1.0
   47    40    45    50  -0.51250  1.0 1.0
   47    40    45    50  -0.88800 -1.0 2.0
   47    40    45    50   0.08850  1.0 3.0
   42    33    37    38   0.30150 -1.0 2.0
   42    33    37    39   0.30150 -1.0 2.0
   42    33    40    41   0.15000  1.0 3.0
   42    33    40    45   0.59950  1.0 1.0
   42    33    40    45  -0.21400 -1.0 2.0
   42    33    40    45   0.56200  1.0 3.0
   42    33    40    47  -3.56550  1.0 1.0
   42    33    40    47  -0.67500 -1.0 2.0
   42    33    40    47   1.11300  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
   38    33    37    39  10.50000 -1.0 2.0
   40    46    45    50  15.00000 -1.0 2.0
   52    51    50    45  15.00000 -1.0 2.0
   50    54    52    53  10.50000 -1.0 2.0
   48    40    47    49  10.50000 -1.0 2.0
END
