* LIGAND DATABASE FILE (OPLS2005)
*
001      56    55     93    133     269
    1     0 S   NP   _N1_     1    28.29157    95.68742   -22.98054
    2     1 S   H    _HN1     2     1.02958    82.73830   -11.86423
    3     1 S   H    _H1_     3     1.02834    28.06662   138.16305
    4     1 S   H    _H2_     4     1.02775   103.53615  -119.07923
    5     1 S   CT   _CA1     5     1.50152   134.35976    99.59877
    6     5 S   HC   _HA1     6     1.09576   105.17398    77.45526
    7     5 S   CO3  _C1_     7     1.53780   112.43444   -42.63334
    8     7 S   O2Z  _O11     8     1.26365   114.99330   -41.27478
    9     7 S   O2Z  _O12     9     1.26240   114.94286   137.73556
   10     5 S   CT   _CB1    10     1.53083   107.39739  -164.65326
   11    10 S   HC   HB11    11     1.09827   109.25302   -50.30449
   12    10 S   HC   HB12    12     1.09815   110.43468    66.23316
   13    10 S   CT   _CG1    13     1.53018   112.72914  -171.39422
   14    13 S   HC   HG11    14     1.09592   110.47773   -65.85969
   15    13 S   HC   HG12    15     1.09661   109.91427    53.35105
   16    13 S   C    _CD1    16     1.51847   112.32694   173.65480
   17    16 S   O    _OE1    17     1.22742   123.25604     0.72253
   18    16 S   N    _N2_    18     1.38562   111.68488  -178.92171
   19    18 S   H    _HN2    19     1.01529   119.10752     3.49076
   20    18 S   CT1  _CA2    20     1.45894   122.87080   178.48793
   21    20 S   HC   _HA2    21     1.09500   108.39519    28.47668
   22    20 S   C    _C2_    22     1.53056   107.33345   -88.17635
   23    22 S   O    _O2_    23     1.22999   123.12905   -22.95056
   24    20 S   CT   _CB2    32     1.53190   112.02575   152.12511
   25    24 S   HC   HB21    33     1.09683   109.54298    54.10879
   26    24 S   HC   HB22    34     1.09413   111.63696   171.14084
   27    22 S   N    _N3_    24     1.38551   112.55099   159.62001
   28    27 S   H    _HN3    25     1.01807   119.86955    -3.15474
   29    24 S   S    _SG2    35     1.82667   113.11312   -64.60893
   30    27 S   CT   _CA3    26     1.45326   122.51849   178.54035
   31    30 S   HC   HA31    27     1.09560   108.35271   -47.11201
   32    30 S   HC   HA32    28     1.09571   107.07824    69.10795
   33    29 S   CT   _C8_    36     1.84427   100.82628   -79.24736
   34    33 S   HC   _H3_    37     1.08961   104.29732    53.57634
   35    30 S   CO3  _C3_    29     1.52857   114.43509  -168.91482
   36    35 S   O2Z  _O31    30     1.26467   114.46450  -161.13165
   37    35 S   O2Z  _O32    31     1.26293   116.10108    19.29428
   38    33 S   CM   _C7_    38     1.51240   112.03151   -66.53787
   39    33 S   CM   _C9_    51     1.50684   109.51323   168.21734
   40    38 S   CM   _C6_    39     1.34589   128.49774   122.24545
   41    40 S   HC   _H7_    40     1.08822   120.13902   177.00232
   42    38 S   CO3  _C11    48     1.53463   119.99049   -60.22826
   43    42 S   O2Z  _O39    49     1.26500   115.48302   -97.23304
   44    42 S   O2Z  _O38    50     1.26558   115.18845    85.20678
   45    39 S   CMA  _C10    52     1.52512   124.50405  -132.64406
   46    45 S   OM   _O35    53     1.26449   120.00958   173.34857
   47    45 S   OM   _O36    54     1.26240   121.93958    -6.96376
   48    39 S   OH   _O37    55     1.38488   118.02292    50.35125
   49    48 S   HO   _H8_    56     0.97533   104.96392   178.03626
   50    40 S   CO4  _C5_    41     1.47998   125.12557    -2.31587
   51    50 S   O    _O34    42     1.21940   126.00301   -29.64298
   52    50 S   OS   _O33    43     1.36108   107.36053   151.53165
   53    52 S   CT   _C4_    44     1.43012   114.95190   179.78239
   54    53 S   HC   _H4_    45     1.09329   108.10486  -179.33148
   55    53 S   HC   _H5_    46     1.09429   110.24173    62.02822
   56    53 S   HC   _H6_    47     1.09407   110.47059   -60.59056
  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
  14   6   2   1   1  11   7   8   4   3   1   1   4   2   1   1
   1   6   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    42    39    45    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    50    42    43    44    39    45    46    47    48    49  
   38    40    42    39    45    48  
   36    37  
   37  
    0  
   40    41    50    51    52    42    43    44    39    45    48  
   45    46    47    48    49    40    42  
   41    50    51    52    53    42    43    44  
   50    51    52    42  
   43    44    50  
   44  
    0  
   46    47    48    49  
   47    48  
   48  
   49  
    0  
   51    52    53    54    55    56  
   52    53  
   53    54    55    56  
   54    55    56  
   55    56  
   56  
    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  -0.310300   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.552400   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   45   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   46   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   47   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   48   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   50   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   53   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   2.4200   0.0150   0.030000   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    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    39   317.000  1.510
   38    40   549.000  1.340
   38    42   230.000  1.545
   40    41   340.000  1.080
   40    50   320.000  1.462
   50    51   570.000  1.229
   50    52   214.000  1.327
   52    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   42    43   656.000  1.250
   42    44   656.000  1.250
   39    45   465.000  1.376
   39    48   510.000  1.338
   45    46   745.000  1.250
   45    47   745.000  1.250
   48    49   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    39    75.00000  112.20000
   33    38    40    70.00000  124.00000
   33    38    42    65.00000  117.04000
   33    39    45    70.00000  124.00000
   33    39    48    90.00000  109.34000
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  120.00000
   38    40    50    65.00000  118.96000
   38    42    43    85.00000  113.83300
   38    42    44    85.00000  113.83300
   40    50    51    80.00000  123.72100
   40    50    52    90.00000  111.29400
   50    40    41    40.00000  117.72500
   50    52    53    83.00000  116.90000
   52    50    51    83.00000  123.40000
   52    53    54    35.00000  109.50000
   52    53    55    35.00000  109.50000
   52    53    56    35.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   42    38    40    55.00000  124.75400
   44    42    43    80.00000  126.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  110.12100
   39    45    46    65.00000  137.10300
   39    45    47    65.00000  137.10300
   39    48    49    70.00000  107.45700
   47    45    46    65.00000  121.00000
   48    39    45    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    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    38    42   0.09700  1.0 1.0
   29    33    38    42   0.15600 -1.0 2.0
   29    33    38    42  -0.50800  1.0 3.0
   29    33    39    45   0.42700  1.0 1.0
   29    33    39    45  -0.70350 -1.0 2.0
   29    33    39    45  -0.43150  1.0 3.0
   29    33    39    48   0.09700  1.0 1.0
   29    33    39    48   0.15600 -1.0 2.0
   29    33    39    48  -0.50800  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    50   7.00000 -1.0 2.0
   33    38    42    43  -0.64400  1.0 1.0
   33    38    42    43   0.26850 -1.0 2.0
   33    38    42    44  -0.64400  1.0 1.0
   33    38    42    44   0.26850 -1.0 2.0
   33    39    45    46   7.00000 -1.0 2.0
   33    39    45    47   7.00000 -1.0 2.0
   33    39    48    49   2.00000 -1.0 2.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    39    45   0.00000  1.0 1.0
   34    33    39    48   0.00000  1.0 1.0
   38    33    39    45  -0.28300  1.0 1.0
   38    33    39    45   0.26700 -1.0 2.0
   38    33    39    45  -0.63300  1.0 3.0
   38    33    39    48   0.09700  1.0 1.0
   38    33    39    48   0.15600 -1.0 2.0
   38    33    39    48  -0.50800  1.0 3.0
   38    40    50    51   1.00000 -1.0 2.0
   38    40    50    52  -0.56150  1.0 1.0
   38    40    50    52   2.19150 -1.0 2.0
   40    38    42    43  -0.04000 -1.0 2.0
   40    38    42    43  -0.29050  1.0 3.0
   40    38    42    44  -0.04000 -1.0 2.0
   40    38    42    44  -0.29050  1.0 3.0
   40    50    52    53   2.00000 -1.0 2.0
   41    40    50    51   0.00000  1.0 1.0
   41    40    50    52   1.63100 -1.0 2.0
   50    52    53    54   0.08050  1.0 3.0
   50    52    53    55   0.08050  1.0 3.0
   50    52    53    56   0.08050  1.0 3.0
   51    50    52    53   3.00000 -1.0 2.0
   42    38    40    41   7.00000 -1.0 2.0
   42    38    40    50   7.00000 -1.0 2.0
   39    33    38    40  -0.28300  1.0 1.0
   39    33    38    40   0.26700 -1.0 2.0
   39    33    38    40  -0.63300  1.0 3.0
   39    33    38    42   0.09700  1.0 1.0
   39    33    38    42   0.15600 -1.0 2.0
   39    33    38    42  -0.50800  1.0 3.0
   45    39    48    49  -0.66100  1.0 1.0
   45    39    48    49   1.20850 -1.0 2.0
   45    39    48    49  -0.36000  1.0 3.0
   48    39    45    46   7.00000 -1.0 2.0
   48    39    45    47   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    42    38    40  15.00000 -1.0 2.0
   50    41    40    38  15.00000 -1.0 2.0
   40    52    50    51  10.50000 -1.0 2.0
   43    38    42    44  10.50000 -1.0 2.0
   33    48    39    45  15.00000 -1.0 2.0
   46    47    45    39  15.00000 -1.0 2.0
END
