* LIGAND DATABASE FILE (OPLS2005)
*
001      55    55     96    150     287
    1     0 S   NP   _N1_     1    31.87443    99.49950   -19.91631
    2     1 S   H    _HN1     2     1.03440   170.34451  -118.48332
    3     1 S   H    _H1_     3     1.02713    63.02752  -123.35497
    4     1 S   H    _H2_     4     1.02815    77.34648   118.96362
    5     1 S   CT   _CA1     5     1.50535    72.75631     2.89658
    6     5 S   HC   _HA1     6     1.09479   104.26143   128.46904
    7     5 S   CO3  _C1_     7     1.54404   112.22367    12.69467
    8     7 S   O2Z  _O11     8     1.26144   116.55333  -142.02400
    9     7 S   O2Z  _O12     9     1.26635   114.27853    37.77563
   10     5 S   CT   _CB1    10     1.53176   106.84095  -114.70896
   11    10 S   HC   HB11    11     1.09573   109.76690   -33.14070
   12    10 S   HC   HB12    12     1.09800   110.04268    82.24125
   13    10 S   CT   _CG1    13     1.53373   112.94243  -155.98187
   14    13 S   HC   HG11    14     1.09557   110.64182  -100.96279
   15    13 S   HC   HG12    15     1.09579   111.96325    18.40196
   16    13 S   C    _CD1    16     1.51527   110.15409   138.91947
   17    16 S   O    _OE1    17     1.22830   122.05400   102.66972
   18    16 S   N    _N2_    18     1.38381   112.50025   -75.22952
   19    18 S   H    _HN2    19     1.02001   119.11049    -3.98025
   20    18 S   CT1  _CA2    20     1.45827   123.28775   174.75084
   21    20 S   HC   _HA2    21     1.09668   108.54817    32.92520
   22    20 S   C    _C2_    22     1.53181   108.35213   -83.89156
   23    22 S   O    _O2_    23     1.23133   121.16557   148.62042
   24    20 S   CT   _CB2    32     1.53281   112.32685   156.43780
   25    24 S   HC   HB21    33     1.09343   110.10214    64.78767
   26    24 S   HC   HB22    34     1.09589   109.68792  -177.96914
   27    22 S   N    _N3_    24     1.38479   114.32424   -38.90025
   28    27 S   H    _HN3    25     1.01752   119.16969     0.81853
   29    24 S   S    _SG2    35     1.82854   111.63482   -58.22813
   30    27 S   CT   _CA3    26     1.45248   123.14008  -177.15635
   31    30 S   HC   HA31    27     1.09566   108.26667   -43.57122
   32    30 S   HC   HA32    28     1.09554   107.11761    72.70716
   33    29 S   CT   _C11    36     1.85179   101.03945   149.18548
   34    30 S   CO3  _C3_    29     1.52996   114.70188  -165.94886
   35    34 S   O2Z  _O31    30     1.26351   116.49562     1.23242
   36    34 S   O2Z  _O32    31     1.26502   114.28628  -179.04387
   37    33 S   CM   _C5_    37     1.52101   108.53092    56.37598
   38    37 S   HC   _H17    38     1.08872   118.11822    44.61791
   39    33 S   CO3  _C8_    53     1.56281   101.19440   170.56314
   40    39 S   O2Z  _O33    54     1.27099   116.12624   -86.38903
   41    39 S   O2Z  _O34    55     1.26612   117.06526    92.96337
   42    37 S   CM   _C4_    39     1.34165   124.20094  -134.35170
   43    42 S   HC   _H16    40     1.08611   119.00784   178.47082
   44    42 S   CT   _C9_    41     1.50224   123.42456    -2.68416
   45    44 S   HC   _H18    42     1.09671   107.98184  -133.99823
   46    44 S   CT   _C10    43     1.53992   113.71187   -12.85926
   47    46 S   HC   _H19    44     1.09622   109.91361   161.01385
   48    44 S   OH   _O13    51     1.42659   109.03080   109.89668
   49    48 S   HO   _H20    52     0.97149   108.09699    47.04013
   50    33 S   CM   _C6_    45     1.52163   113.94329   -68.77234
   51    46 S   OH   _O14    49     1.42952   109.20801   -81.94220
   52    51 S   HO   _H21    50     0.97127   107.26851   -68.23467
   53    50 S   CMA  _C7_    46     1.52587   125.42393   -14.56842
   54    53 S   OM   _O9_    47     1.26161   121.32136   -70.95597
   55    53 S   OM   _O10    48     1.26441   120.58968   110.16822
  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  10   5   4   3
  15   2   1   1  12   5   6   2   1   9   4   9   6   9   5   3
   1   5   2   1   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    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    46    50    53    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    46    47    50    53    54    55    51    39    40    41  
   35    36  
   36  
    0  
   38    42    43    44    45    46    50    53    48    39    40    41  
   42    43    44    50    39  
   40    41    42    46    50    53  
   41    50  
   50  
   43    44    45    46    47    50    51    48    49  
   44    45    46    48  
   45    46    47    50    53    51    52    48    49  
   46    47    50    51    48    49  
   47    50    53    54    55    51    52    48    49  
   50    53    51    52    48  
   49    50    51  
    0  
   53    54    55    51    52  
   52    53  
    0  
   54    55  
   55  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.067500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   55   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
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  1.510
   33    50   317.000  1.510
   33    39   317.000  1.522
   37    38   340.000  1.080
   37    42   549.000  1.340
   42    43   340.000  1.080
   42    44   317.000  1.510
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   320.000  1.410
   46    47   340.000  1.090
   46    50   317.000  1.510
   46    51   320.000  1.410
   50    53   465.000  1.376
   53    54   745.000  1.250
   53    55   745.000  1.250
   51    52   553.000  0.945
   48    49   553.000  0.945
   39    40   656.000  1.250
   39    41   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    50    75.00000  112.20000
   29    33    39    70.00000  116.78000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    50    46    65.00000  117.92700
   33    50    53    70.00000  124.00000
   33    39    40    70.00000  117.00000
   33    39    41    70.00000  117.00000
   37    42    43    35.00000  120.00000
   37    42    44    70.00000  124.00000
   42    37    38    35.00000  120.00000
   42    44    45    35.00000  109.50000
   42    44    46    70.00000  112.02700
   42    44    48    90.00000  110.39200
   44    42    43    35.00000  117.00000
   44    46    47    37.50000  110.70000
   44    46    50    70.00000  112.02700
   44    46    51    50.00000  109.50000
   44    48    49    55.00000  108.50000
   46    44    45    37.50000  110.70000
   46    50    53    70.00000  124.00000
   46    51    52    55.00000  108.50000
   50    33    37    70.00000  110.12100
   50    46    47    35.00000  109.50000
   50    53    54    65.00000  137.10300
   50    53    55    65.00000  137.10300
   55    53    54    65.00000  121.00000
   51    46    47    35.00000  109.50000
   51    46    50    90.00000  110.39200
   48    44    45    35.00000  109.50000
   48    44    46    50.00000  109.50000
   39    33    37    65.00000  111.94000
   39    33    50    65.00000  111.94000
   41    39    40    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    50  -0.62250  1.0 1.0
   24    29    33    50  -0.38450 -1.0 2.0
   24    29    33    50   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    50    46   0.30250  1.0 1.0
   29    33    50    46  -0.14950 -1.0 2.0
   29    33    50    46   0.36900  1.0 3.0
   29    33    50    53   0.42700  1.0 1.0
   29    33    50    53  -0.70350 -1.0 2.0
   29    33    50    53  -0.43150  1.0 3.0
   29    33    39    40   0.30150 -1.0 2.0
   29    33    39    41   0.30150 -1.0 2.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    44   7.00000 -1.0 2.0
   33    50    53    54   7.00000 -1.0 2.0
   33    50    53    55   7.00000 -1.0 2.0
   37    33    50    46   0.09700  1.0 1.0
   37    33    50    46   0.15600 -1.0 2.0
   37    33    50    46  -0.50800  1.0 3.0
   37    33    50    53  -0.28300  1.0 1.0
   37    33    50    53   0.26700 -1.0 2.0
   37    33    50    53  -0.63300  1.0 3.0
   37    33    39    40   0.30150 -1.0 2.0
   37    33    39    41   0.30150 -1.0 2.0
   37    42    44    45   0.00000  1.0 1.0
   37    42   -44    46   0.09850  1.0 1.0
   37    42   -44    46   0.15250 -1.0 2.0
   37    42   -44    46  -0.50650  1.0 3.0
   37    42    44    48   0.67800  1.0 1.0
   37    42    44    48   0.47050 -1.0 2.0
   37    42    44    48  -0.62500  1.0 3.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    44   7.00000 -1.0 2.0
   42    44    46    47   0.15000  1.0 3.0
   42    44    46    50   0.31000  1.0 1.0
   42    44    46    50   0.14700 -1.0 2.0
   42    44    46    50   0.07550  1.0 3.0
   42    44    46    51   1.05650  1.0 1.0
   42    44    46    51   0.15600 -1.0 2.0
   42    44    46    51   0.53150  1.0 3.0
   42    44    48    49  -0.07800  1.0 1.0
   42    44    48    49  -0.21500 -1.0 2.0
   42    44    48    49  -0.03150  1.0 3.0
   43    42    44    45   0.33100  1.0 3.0
   43    42    44    46   0.00000  1.0 1.0
   43    42    44    48   0.00000  1.0 1.0
   44    46   -50    33   0.46850  1.0 1.0
   44    46   -50    33   0.08550 -1.0 2.0
   44    46   -50    33   0.09800  1.0 3.0
   44    46    50    53   0.09850  1.0 1.0
   44    46    50    53   0.15250 -1.0 2.0
   44    46    50    53  -0.50650  1.0 3.0
   44    46    51    52  -0.11600  1.0 1.0
   44    46    51    52  -0.09450 -1.0 2.0
   44    46    51    52   0.21250  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    46    51   0.23400  1.0 3.0
   45    44    48    49   0.19450  1.0 3.0
   46    44    48    49  -0.11600  1.0 1.0
   46    44    48    49  -0.09450 -1.0 2.0
   46    44    48    49   0.21250  1.0 3.0
   46    50    53    54   7.00000 -1.0 2.0
   46    50    53    55   7.00000 -1.0 2.0
   47    46    50    33   0.34800  1.0 3.0
   47    46    50    53   0.00000  1.0 1.0
   47    46    51    52   0.19450  1.0 3.0
   50    33    37    38   0.00000  1.0 1.0
   50    33   -37    42  -0.28300  1.0 1.0
   50    33   -37    42   0.26700 -1.0 2.0
   50    33   -37    42  -0.63300  1.0 3.0
   50    33    39    40   0.30150 -1.0 2.0
   50    33    39    41   0.30150 -1.0 2.0
   50    46    51    52  -0.07800  1.0 1.0
   50    46    51    52  -0.21500 -1.0 2.0
   50    46    51    52  -0.03150  1.0 3.0
   51    46    50    33   0.18000  1.0 1.0
   51    46    50    33   0.16450 -1.0 2.0
   51    46    50    33   0.04450  1.0 3.0
   51    46    50    53   0.67800  1.0 1.0
   51    46    50    53   0.47050 -1.0 2.0
   51    46    50    53  -0.62500  1.0 3.0
   48    44    46    47   0.23400  1.0 3.0
   48    44    46    50   1.05650  1.0 1.0
   48    44    46    50   0.15600 -1.0 2.0
   48    44    46    50   0.53150  1.0 3.0
   48    44    46    51   3.75450  1.0 1.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42  -0.51250  1.0 1.0
   39    33    37    42  -0.88800 -1.0 2.0
   39    33    37    42   0.08850  1.0 3.0
   39    33    50    46   0.17250  1.0 1.0
   39    33    50    46  -0.04100 -1.0 2.0
   39    33    50    46  -0.33850  1.0 3.0
   39    33    50    53  -0.51250  1.0 1.0
   39    33    50    53  -0.88800 -1.0 2.0
   39    33    50    53   0.08850  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
   33    46    50    53   1.10000 -1.0 2.0
   54    55    53    50   1.10000 -1.0 2.0
   40    33    39    41  10.50000 -1.0 2.0
END
