* LIGAND DATABASE FILE (OPLS2005)
*
001      58    57     95    142     282
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02024   104.36281     6.28272
    3     1 S   H    _H1_     3     1.02118    44.25476   108.54461
    4     1 S   H    _H2_     4     1.02129    68.81967   -98.52099
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74439
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98761
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59075
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32504
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08575   109.89770   179.12777
   27    22 S   N    _N3_    24     1.34263   118.97449    10.45205
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06898
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22029
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10345
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31071
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C11    36     1.83166    97.81587   -78.12937
   34    33 S   HC   _H3_    37     1.09054   104.54008    41.75434
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   38    33 S   CM   _C4_    38     1.51083   109.01775   160.02264
   39    38 S   HC   _H17    39     1.09071   114.90674    37.63251
   40    33 S   CM   _C6_    52     1.51962   110.01766   -77.08887
   41    38 S   CM   _C5_    40     1.34818   126.41701  -144.33413
   42    40 S   CMA  _C7_    53     1.36004   125.25334   115.00753
   43    42 S   OM   _O9_    54     1.26561   125.90686   179.66839
   44    40 S   OH   _O34    57     1.39235   113.73650   -65.87096
   45    44 S   HO   _H21    58     0.95865   109.10020  -179.19158
   46    41 S   C    _C8_    41     1.48938   115.48976    -0.05595
   47    46 S   O    _O10    42     1.22111   125.53717    90.04773
   48    41 S   CT2  _C10    45     1.50499   125.51376  -178.49923
   49    48 S   HC   _H18    46     1.09480   110.82369    30.00766
   50    48 S   HC   _H19    47     1.09637   110.62734   148.05318
   51    42 S   OH   _O13    55     1.40551   113.19335    -0.20271
   52    51 S   HO   _H22    56     0.97303   105.39626  -179.97202
   53    46 S   OH   _O14    43     1.35359   110.59444   -90.48144
   54    53 S   HO   _H23    44     0.98025   111.99326  -179.60783
   55    48 S   C    _C9_    48     1.51226   111.14633   -91.06296
   56    55 S   O    _O33    49     1.22190   126.61950     2.22105
   57    55 S   OH   _O15    50     1.35813   109.74814  -177.57812
   58    57 S   HO   _H24    51     0.98165   111.81330   179.85065
  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   8   5   4   3
  12   6   2   1   1  12   4   7  10   5   3   2   1   7   3   7
   4   3   1   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    40    42    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    46    48    40    42    43    51    44    45  
   38    39    41    40    42    44  
   36    37  
   37  
    0  
   39    41    46    47    53    48    49    50    55    40    42    44  
   41    46    48    40  
   42    43    51    52    44    45    41  
   46    47    53    54    48    49    50    55    56    57  
   43    51    52    44    45  
   51    52    44  
   45    51  
    0  
   47    53    54    48    49    50    55  
   53    54    48  
   49    50    55    56    57    58    53  
   50    55    56    57  
   55    56    57  
   52  
    0  
   54  
    0  
   56    57    58  
   57    58  
   58  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.552400   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   46   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.0700   0.1700  -0.840200   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   53   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   57   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   317.000  1.510
   38    39   340.000  1.080
   38    41   549.000  1.340
   41    46   410.000  1.444
   41    48   317.000  1.510
   46    47   570.000  1.229
   46    53   450.000  1.364
   53    54   553.000  0.945
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    55   317.000  1.522
   55    56   570.000  1.229
   55    57   450.000  1.364
   57    58   553.000  0.945
   40    42   465.000  1.376
   40    44   510.000  1.338
   42    43   745.000  1.250
   42    51   510.000  1.338
   51    52   553.000  0.945
   44    45   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    41    70.00000  124.00000
   33    40    42    70.00000  124.00000
   33    40    44    90.00000  109.34000
   38    33    34    35.00000  109.50000
   38    41    46    70.00000  118.70000
   38    41    48    70.00000  124.00000
   41    38    39    35.00000  120.00000
   41    46    47    80.00000  125.30000
   41    46    53    90.00000  111.55000
   41    48    49    35.00000  109.50000
   41    48    50    35.00000  109.50000
   41    48    55    70.00000  115.00700
   46    53    54    35.00000  113.00000
   53    46    47   100.00000  123.32000
   48    41    46    70.00000  119.70000
   48    55    56    80.00000  120.40000
   48    55    57    70.00000  108.00000
   50    48    49    33.00000  107.80000
   55    48    49    35.00000  109.50000
   55    48    50    35.00000  109.50000
   55    57    58    35.00000  113.00000
   57    55    56   100.00000  123.32000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
   40    42    43    65.00000  137.10300
   40    42    51    80.00000  121.38400
   40    44    45    70.00000  107.45700
   42    51    52    70.00000  107.45700
   51    42    43   115.00000  116.36000
   44    40    42    80.00000  121.38400
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   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    38    39   0.00000  1.0 1.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    40    42   0.42700  1.0 1.0
   29    33    40    42  -0.70350 -1.0 2.0
   29    33    40    42  -0.43150  1.0 3.0
   29    33    40    44   0.09700  1.0 1.0
   29    33    40    44   0.15600 -1.0 2.0
   29    33    40    44  -0.50800  1.0 3.0
   33    38    41    46   7.00000 -1.0 2.0
   33    38    41    48   7.00000 -1.0 2.0
   33    40    42    43   7.00000 -1.0 2.0
   33    40    42    51   7.00000 -1.0 2.0
   33    40    44    45   2.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    40    42   0.00000  1.0 1.0
   34    33    40    44   0.00000  1.0 1.0
   38    33    40    42  -0.28300  1.0 1.0
   38    33    40    42   0.26700 -1.0 2.0
   38    33    40    42  -0.63300  1.0 3.0
   38    33    40    44   0.09700  1.0 1.0
   38    33    40    44   0.15600 -1.0 2.0
   38    33    40    44  -0.50800  1.0 3.0
   38    41    46    47   1.00000 -1.0 2.0
   38    41    46    53  -0.01000  1.0 1.0
   38    41    46    53   1.29850 -1.0 2.0
   38    41    46    53  -0.09550  1.0 3.0
   38    41    48    49   0.00000  1.0 1.0
   38    41    48    50   0.00000  1.0 1.0
   38    41    48    55  -0.51250  1.0 1.0
   38    41    48    55  -0.88800 -1.0 2.0
   38    41    48    55   0.08850  1.0 3.0
   39    38    41    46   7.00000 -1.0 2.0
   39    38    41    48   7.00000 -1.0 2.0
   41    46    53    54   1.22000  1.0 1.0
   41    46    53    54   0.17300 -1.0 2.0
   41    48    55    56   0.30150 -1.0 2.0
   41    48    55    57   0.40000  1.0 3.0
   46    41    48    49   0.15000  1.0 3.0
   46    41    48    50   0.15000  1.0 3.0
   46    41    48    55   0.09700  1.0 1.0
   46    41    48    55   0.15600 -1.0 2.0
   46    41    48    55  -0.50800  1.0 3.0
   47    46    53    54   0.92200  1.0 1.0
   47    46    53    54   3.74100 -1.0 2.0
   48    41    46    47  -0.64400  1.0 1.0
   48    41    46    47   0.26850 -1.0 2.0
   48    41    46    53  -0.23000  1.0 1.0
   48    41    46    53   0.83800 -1.0 2.0
   48    41    46    53   0.07650  1.0 3.0
   48    55    57    58   1.50000  1.0 1.0
   48    55    57    58   2.45000 -1.0 2.0
   49    48    55    56   0.00000  1.0 1.0
   49    48    55    57   0.00000  1.0 1.0
   50    48    55    56   0.00000  1.0 1.0
   50    48    55    57   0.00000  1.0 1.0
   56    55    57    58   0.92200  1.0 1.0
   56    55    57    58   3.74100 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    41  -0.28300  1.0 1.0
   40    33    38    41   0.26700 -1.0 2.0
   40    33    38    41  -0.63300  1.0 3.0
   40    42    51    52  -0.66100  1.0 1.0
   40    42    51    52   1.20850 -1.0 2.0
   40    42    51    52  -0.36000  1.0 3.0
   42    40    44    45  -0.66100  1.0 1.0
   42    40    44    45   1.20850 -1.0 2.0
   42    40    44    45  -0.36000  1.0 3.0
   43    42    51    52   2.00000 -1.0 2.0
   44    40    42    43   7.00000 -1.0 2.0
   44    40    42    51   7.00000 -1.0 2.0
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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    41  15.00000 -1.0 2.0
   46    48    41    38  15.00000 -1.0 2.0
   41    53    46    47  10.50000 -1.0 2.0
   48    57    55    56  10.50000 -1.0 2.0
   33    44    40    42  15.00000 -1.0 2.0
   43    51    42    40  15.00000 -1.0 2.0
END
