* LIGAND DATABASE FILE (OPLS2005)
*
001      54    53     91    138     271
    1     0 S   NP   _N1_     1    30.65386    99.03946   -23.28539
    2     1 S   H    _HN1     2     1.02743    63.03882   160.64018
    3     1 S   H    _H1_     3     1.03479   150.99521  -121.98068
    4     1 S   H    _H2_     4     1.02848    55.29590   -59.87835
    5     1 S   CT   _CA1     5     1.50118    97.07757    50.60308
    6     5 S   HC   _HA1     6     1.09543   104.84890   122.91186
    7     5 S   CO3  _C1_     7     1.53667   113.20727     2.29951
    8     7 S   O2Z  _O11     8     1.26421   115.07042   -33.99824
    9     7 S   O2Z  _O12     9     1.26225   115.06452   145.23214
   10     5 S   CT   _CB1    10     1.53000   107.39326  -118.62642
   11    10 S   HC   HB11    11     1.09538   109.47541   -38.73715
   12    10 S   HC   HB12    12     1.09834   110.51810    76.87790
   13    10 S   CT   _CG1    13     1.53222   112.97002  -161.21020
   14    13 S   HC   HG11    14     1.09539   110.96501   -93.68454
   15    13 S   HC   HG12    15     1.09588   111.46565    25.60870
   16    13 S   C    _CD1    16     1.51574   109.17476   146.31154
   17    16 S   O    _OE1    17     1.22831   121.80683    84.57362
   18    16 S   N    _N2_    18     1.38567   112.57595   -91.74481
   19    18 S   H    _HN2    19     1.01635   119.12145    -6.27023
   20    18 S   CT1  _CA2    20     1.46063   123.59884   173.33732
   21    20 S   HC   _HA2    21     1.09705   109.22333    -6.08898
   22    20 S   C    _C2_    22     1.53861   109.35909  -121.96537
   23    22 S   O    _O2_    23     1.23112   121.90090  -159.90339
   24    20 S   CT   _CB2    32     1.53441   111.63437   116.20202
   25    24 S   HC   HB21    33     1.09222   109.49624    59.87120
   26    24 S   HC   HB22    34     1.09522   110.04394   176.92820
   27    22 S   N    _N3_    24     1.38278   114.29799    26.47143
   28    27 S   H    _HN3    25     1.01423   119.06429    -2.94530
   29    24 S   S    _SG2    35     1.83008   112.00387   -64.82872
   30    27 S   CT   _CA3    26     1.45318   123.39165   178.08113
   31    30 S   HC   HA31    27     1.09558   107.27191   -67.08292
   32    30 S   HC   HA32    28     1.09556   108.10843    49.20631
   33    29 S   CT   _C10    36     1.86880   102.59141   127.66642
   34    30 S   CO3  _C3_    29     1.53038   114.42184   171.15655
   35    34 S   O2Z  _O31    30     1.26431   116.33497    -8.91749
   36    34 S   O2Z  _O32    31     1.26416   114.44705   171.21752
   37    33 S   CO3  _C8_    37     1.56902   102.62692   -65.11059
   38    37 S   O2Z  _O10    38     1.26710   115.40635   108.04047
   39    37 S   O2Z  _O13    39     1.26724   116.88752   -71.34437
   40    33 S   CT   _C9_    40     1.55435   112.29150    59.40054
   41    40 S   HC   _H18    41     1.09398   108.15607   -61.39825
   42    33 S   NT   _N8_    52     1.47454   107.11660  -176.50470
   43    42 S   H    _H19    53     1.02209   108.48989  -177.14227
   44    42 S   H    _H20    54     1.01691   109.38640   -61.47322
   45    40 S   CM   _C5_    42     1.52156   114.08935    61.54220
   46    45 S   HC   _H16    43     1.09011   115.26461    61.63294
   47    40 S   CO3  _C7_    49     1.55501   116.02321  -177.69132
   48    47 S   O2Z  _O9_    50     1.26722   114.47652   152.31657
   49    47 S   O2Z  _O34    51     1.26299   116.61629   -28.54097
   50    45 S   CM   _C4_    44     1.34056   128.91235  -118.95392
   51    50 S   HC   _H15    45     1.08598   119.42925   179.87967
   52    50 S   CO4  _C6_    46     1.47630   125.08990    -0.64650
   53    52 S   O    _O33    47     1.22627   121.48844   178.21206
   54    52 S   HC   _H17    48     1.09878   117.21336    -1.91551
  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
