* LIGAND DATABASE FILE (OPLS2005)
*
001      68    70    123    192     358
    1     0 S   NP   _N1_     1    30.94544    90.45830   -19.90236
    2     1 S   H    _HN1     2     1.02752    90.81629   113.32025
    3     1 S   H    _H1_     3     1.02710    30.55697   -11.16952
    4     1 S   H    _H2_     4     1.04035   137.02945    -4.34334
    5     1 S   CT   _CA1     5     1.49989    95.14922  -135.11292
    6     5 S   HC   _HA1     6     1.09536   104.85261    87.97880
    7     5 S   CO3  _C1_     7     1.53723   113.52672   -32.54049
    8     7 S   O2Z  _O11     8     1.26414   115.19300   -30.09650
    9     7 S   O2Z  _O12     9     1.26287   115.06335   149.53774
   10     5 S   CT   _CB1    10     1.53105   107.74190  -153.21304
   11    10 S   HC   HB11    11     1.09463   109.52553   -38.15323
   12    10 S   HC   HB12    12     1.09832   110.44003    77.62048
   13    10 S   CT   _CG1    13     1.53367   112.90892  -160.34314
   14    13 S   HC   HG11    14     1.09566   110.78666   -95.46370
   15    13 S   HC   HG12    15     1.09600   111.50635    24.11834
   16    13 S   C    _CD1    16     1.51458   110.17228   143.10583
   17    16 S   O    _OE1    17     1.22845   121.76613  -107.24390
   18    16 S   N    _N2_    18     1.38418   113.12890    70.95839
   19    18 S   H    _HN2    19     1.01549   119.17738     8.06168
   20    18 S   CT1  _CA2    20     1.45994   122.88723  -171.30272
   21    20 S   HC   _HA2    21     1.09631   108.90058    10.24281
   22    20 S   C    _C2_    22     1.53471   110.63386  -105.66019
   23    22 S   O    _O2_    23     1.23151   121.76024  -152.31234
   24    20 S   CT   _CB2    32     1.53594   111.53539   131.40545
   25    24 S   HC   HB21    33     1.09686   109.28393    70.88951
   26    24 S   HC   HB22    34     1.09511   110.70286  -172.59233
   27    22 S   N    _N3_    24     1.38168   114.35329    35.07825
   28    27 S   H    _HN3    25     1.01587   119.78031    -3.20711
   29    24 S   S    _SG2    35     1.83102   115.61799   -48.17753
   30    27 S   CT   _CA3    26     1.45332   122.88526   176.77930
   31    30 S   HC   HA31    27     1.09565   107.49200   -63.82395
   32    30 S   HC   HA32    28     1.09570   107.93697    52.52633
   33    29 S   CT   _C10    36     1.84171   101.25238   -62.07496
   34    33 S   HC   _H4_    37     1.09203   107.61805    53.25907
   35    30 S   CO3  _C3_    29     1.52897   114.32222   174.54792
   36    35 S   O2Z  _O31    30     1.26334   116.09398    -0.85866
   37    35 S   O2Z  _O32    31     1.26445   114.38876   179.21192
   38    33 S   CT   _C11    38     1.53670   108.98249   174.56026
   39    38 S   HC   _H5_    39     1.09763   114.79539   -20.90882
   40    38 S   CT   _C12    40     1.53025   102.51614    97.83911
   41    40 S   HC   _H6_    41     1.09784   110.40567   -79.35255
   42    38 S   OS   _O36    65     1.43076   111.77677  -146.33398
   43    40 S   OS   _O34    42     1.43963   105.08238    35.01430
   44    40 S   CT   _C13    60     1.52248   115.06334   155.36161
   45    44 S   HC   _H9_    61     1.09425   110.94698    51.03033
   46    44 S   HC   _H10    62     1.09475   111.52589   -71.76416
   47    42 S   PR   _P1_    66     1.61951   119.38958    82.61884
   48    47 S   OM   _O38    67     1.64214    98.89448    68.95003
   49    47 S   OM   _O37    68     1.64097    97.65610   168.49592
   50    33 S   CO   _C9_    43     1.53847   111.36084   -70.91023
   51    50 S   HC   _H3_    44     1.09663   112.25345    -0.00000
   52    44 S   OH   _O35    63     1.42581   108.97195   169.70554
   53    52 S   HO   _H11    64     0.97236   106.75962   178.47274
   54    50 S   N*   _N7_    45     1.45245   115.27715   122.21105
   55    54 S   CRAB _C4_    46     1.37598   125.19176  -122.93507
   56    55 S   HA   _H7_    47     1.08183   122.32212    -0.34718
   57    55 S   NNA  _N4_    48     1.31919   112.40697   179.55677
   58    57 S   CB   _C5_    49     1.36429   104.02181    -0.02798
   59    54 S   CN   _C8_    50     1.36478   128.28788    56.82444
   60    59 S   NNC  _N6_    51     1.34780   126.63821    -0.69097
   61    60 S   CDX  _C7_    52     1.31058   114.09615  -177.39827
   62    61 S   NNB  _N5_    53     1.40675   122.49146    -1.44713
   63    62 S   H    _H8_    54     1.01350   117.89930  -179.57989
   64    61 S   NND  _N8_    57     1.36649   121.16999   178.14417
   65    64 S   H    _H12    58     1.02113   119.56489    -4.60275
   66    64 S   H    _H13    59     1.01158   122.71741  -178.76062
   67    58 S   C    _C6_    55     1.44013   129.10123  -178.91863
   68    67 S   O    _O33    56     1.22527   124.05557    -1.39788
  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
  14   8   2   1   1  15   7  12   7   6   9   5   3   2   2   1
   1   8   3   1   1   8   6   3   6   7   6   7   7   6   3   3
   1   1   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    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    50    51    54    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    50    51    54    55    59    44    42    47  
   38    39    40    43    50    51    54    42  
   36    37  
   37  
    0  
   39    40    41    43    50    51    54    44    45    46    52    42    47    48    49  
   40    41    43    50    44    42    47  
   41    43    50    51    54    44    45    46    52    53    42    47  
   43    50    44    45    46    52    42  
   47    48    49    43    44    50  
   50    51    54    55    59    44    45    46    52  
   45    46    52    53    50  
   46    52    53  
   52    53  
   48    49  
   49  
    0  
   51    54    55    56    57    58    59    60  
   54    55    59  
   53  
    0  
   55    56    57    58    59    60    61    67  
   56    57    58    59    60    67  
   57    58    59  
   58    59    60    62    67    68  
   59    60    61    62    63    67    68  
   60    61    62    67    68    64  
   61    62    63    67    64    65    66  
   62    63    67    68    64    65    66  
   63    67    68    64    65    66  
   67    68    64  
   65    66    67  
   66  
    0  
   68  
    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   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   42   2.9000   0.1400  -1.312500   1.7660   1.5600   0.020110767  -0.896042159
   43   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.7400   0.2000   0.937500   2.1070   1.8700   0.005000000   0.000000000
   48   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   49   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   50   3.5000   0.0660   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   55   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   57   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   58   3.5000   0.0800   0.120000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0800   0.340000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.2500   0.1700  -0.510000   1.9250   1.7000   0.054801302  -2.445846770
   61   3.5000   0.0800   0.460000   2.1120   1.8750   0.001000000  -0.126889456
   62   3.2500   0.1700  -0.560000   2.1120   1.8750   0.051222218  -2.220205820
   63   0.0000   0.0000   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   64   3.2500   0.1700  -0.800000   2.1120   1.8750   0.051222218  -2.220205820
   65   0.5000   0.0300   0.400000   0.9960   0.8600   0.030040813  -0.651083722
   66   0.5000   0.0300   0.400000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.7500   0.1050   0.520000   1.9250   1.7000   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.510000   1.5250   1.4250   0.001000000  -1.480495490
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   268.000  1.529
   33    50   250.000  1.527
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   320.000  1.410
   40    44   268.000  1.529
   43    50   320.000  1.380
   50    51   340.000  1.090
   50    54   275.000  1.479
   54    55   440.000  1.371
   54    59   436.000  1.374
   55    56   367.000  1.080
   55    57   529.000  1.304
   57    58   414.000  1.391
   58    59   520.000  1.370
   58    67   447.000  1.419
   59    60   461.000  1.354
   60    61   585.000  1.311
   61    62   427.000  1.381
   61    64   481.000  1.340
   62    63   434.000  1.010
   62    67   418.000  1.388
   67    68   570.000  1.229
   64    65   434.000  1.010
   64    66   434.000  1.010
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    52   320.000  1.410
   52    53   553.000  0.945
   42    47   325.000  1.672
   47    48   325.000  1.672
   47    49   325.000  1.672
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  111.63000
   29    33    50    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    50    43    90.00000  108.56700
   33    50    51    45.00000  112.01100
   33    50    54    75.00000  107.44000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    50.00000  109.50000
   38    40    44    58.35000  112.70000
   38    42    47   100.00000  120.50000
   40    38    39    37.50000  110.70000
   40    43    50    60.00000  109.50000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    52    50.00000  109.50000
   43    40    41    35.00000  109.50000
   43    50    51    35.00000  109.50000
   43    50    54   105.00000  106.22000
   50    33    34    45.00000  108.72000
   50    33    38    75.00000  109.43000
   50    54    55    70.00000  128.80000
   50    54    59    70.00000  125.80000
   54    50    51    55.00000  103.44000
   54    55    56    35.00000  123.05000
   54    55    57    70.00000  113.90000
   54    59    58    70.00000  106.20000
   54    59    60    70.00000  126.20000
   55    57    58    70.00000  103.80000
   57    55    56    35.00000  123.05000
   57    58    59    70.00000  110.40000
   57    58    67    70.00000  130.00000
   58    59    60    70.00000  127.70000
   58    67    62    70.00000  111.30000
   58    67    68    80.00000  128.80000
   59    54    55    70.00000  105.40000
   59    60    61    70.00000  112.20000
   60    61    62    70.00000  123.30000
   60    61    64    70.00000  119.30000
   61    62    63    35.00000  118.00000
   61    62    67    70.00000  125.20000
   61    64    65    35.00000  120.00000
   61    64    66    35.00000  120.00000
   62    67    68    80.00000  120.60000
   67    58    59    85.00000  119.20000
   67    62    63    35.00000  116.80000
   64    61    62    70.00000  116.00000
   66    64    65    35.00000  120.00000
   44    40    41    37.50000  110.70000
   44    40    43    50.00000  109.50000
   44    52    53    55.00000  108.50000
   46    44    45    33.00000  107.80000
   52    44    45    35.00000  109.50000
   52    44    46    35.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    47    48    45.00000  102.60000
   42    47    49    45.00000  102.60000
   49    47    48    35.00000   94.00000
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    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    50    43   0.56750  1.0 1.0
   29    33    50    43  -0.07550 -1.0 2.0
   29    33    50    43   0.20000  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    54   0.56750  1.0 1.0
   29    33    50    54  -0.07550 -1.0 2.0
   29    33    50    54   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38   -40    43   0.62750  1.0 1.0
   33    38   -40    43  -0.30950 -1.0 2.0
   33    38   -40    43   0.27300  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    42    47  -2.65550  1.0 1.0
   33    38    42    47  -0.22350 -1.0 2.0
   33    38    42    47   0.24150  1.0 3.0
   33    50    54    55   1.10250  1.0 1.0
   33    50    54    55   0.01650 -1.0 2.0
   33    50    54    55   0.39100  1.0 3.0
   33    50    54    59   1.10250  1.0 1.0
   33    50    54    59   0.01650 -1.0 2.0
   33    50    54    59   0.39100  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    50    43   0.23400  1.0 3.0
   34    33    50    51   0.15000  1.0 3.0
   34    33    50    54   0.15000  1.0 3.0
   38    33   -50    43   0.62750  1.0 1.0
   38    33   -50    43  -0.30950 -1.0 2.0
   38    33   -50    43   0.27300  1.0 3.0
   38    33    50    51   0.15000  1.0 3.0
   38    33    50    54  -0.64600  1.0 1.0
   38    33    50    54   0.58400 -1.0 2.0
   38    40   -43    50   0.06250  1.0 1.0
   38    40   -43    50  -0.01100 -1.0 2.0
   38    40   -43    50   0.28050  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40    44    46   0.15000  1.0 3.0
   38    40    44    52   0.86500  1.0 1.0
   38    40    44    52  -0.17500 -1.0 2.0
   38    40    44    52   0.20800  1.0 3.0
   38    42    47    48   0.05050  1.0 1.0
   38    42    47    48  -1.30700 -1.0 2.0
   38    42    47    48   0.91550  1.0 3.0
   38    42    47    49   0.05050  1.0 1.0
   38    42    47    49  -1.30700 -1.0 2.0
   38    42    47    49   0.91550  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.23400  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    42    47   0.03000  1.0 3.0
   40    38    42    47  -2.65550  1.0 1.0
   40    38    42    47  -0.22350 -1.0 2.0
   40    38    42    47   0.24150  1.0 3.0
   40    43   -50    33   0.06250  1.0 1.0
   40    43   -50    33  -0.01100 -1.0 2.0
   40    43   -50    33   0.28050  1.0 3.0
   40    43    50    51   0.37050  1.0 3.0
   40    43    50    54  -2.37750  1.0 1.0
   40    43    50    54  -0.08150 -1.0 2.0
   40    43    50    54   0.59000  1.0 3.0
   40    44    52    53  -0.11600  1.0 1.0
   40    44    52    53  -0.09450 -1.0 2.0
   40    44    52    53   0.21250  1.0 3.0
   41    40    43    50   0.37050  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    52   0.23400  1.0 3.0
   43    40    44    45   0.23400  1.0 3.0
   43    40    44    46   0.23400  1.0 3.0
   43    40    44    52   3.69350  1.0 1.0
   43    40    44    52  -1.82950 -1.0 2.0
   43    50    54    55   0.10350  1.0 1.0
   43    50    54    55  -0.15350 -1.0 2.0
   43    50    54    59   0.10350  1.0 1.0
   43    50    54    59  -0.15350 -1.0 2.0
   50    33    38    39   0.15000  1.0 3.0
   50    33   -38    40   3.97050  1.0 1.0
   50    33    38    42   0.62750  1.0 1.0
   50    33    38    42  -0.30950 -1.0 2.0
   50    33    38    42   0.27300  1.0 3.0
   50    54    55    56   3.62500 -1.0 2.0
   50    54    55    57   3.62500 -1.0 2.0
   50    54    59    58   0.81400  1.0 1.0
   50    54    59    58   1.55550 -1.0 2.0
   50    54    59    60   3.62500 -1.0 2.0
   51    50    54    55   0.00000  1.0 1.0
   51    50    54    59   0.00000  1.0 1.0
   54    55   -57    58   3.62500 -1.0 2.0
   54    59    60    61   1.25000 -1.0 2.0
   55    54   -59    58   0.70250  1.0 1.0
   55    54   -59    58   1.56150 -1.0 2.0
   55    54    59    60   3.62500 -1.0 2.0
   55    57   -58    59   3.62500 -1.0 2.0
   55    57    58    67   3.62500 -1.0 2.0
   56    55    57    58   3.62500 -1.0 2.0
   57    58   -59    54   3.62500 -1.0 2.0
   57    58    59    60   3.62500 -1.0 2.0
   57    58    67    62   5.37500 -1.0 2.0
   57    58    67    68   0.41000 -1.0 2.0
   58    59    60    61   3.62500 -1.0 2.0
   59    54    55    56   3.62500 -1.0 2.0
   59    54   -55    57   3.62500 -1.0 2.0
   59    58    67    62   1.50000 -1.0 2.0
   59    58    67    68   1.05000 -1.0 2.0
   59    60   -61    62   3.62500 -1.0 2.0
   59    60    61    64   3.62500 -1.0 2.0
   60    61    62    63   3.62500 -1.0 2.0
   60    61    62    67   3.62500 -1.0 2.0
   60    61    64    65   0.70000 -1.0 2.0
   60    61    64    66   0.70000 -1.0 2.0
   61    62   -67    58   1.52500 -1.0 2.0
   61    62    67    68   3.04450 -1.0 2.0
   62    61    64    65   1.01500 -1.0 2.0
   62    61    64    66   1.01500 -1.0 2.0
   63    62    67    58   1.52500 -1.0 2.0
   63    62    67    68   2.45000 -1.0 2.0
   67    58    59    54   3.62500 -1.0 2.0
   67    58   -59    60   3.62500 -1.0 2.0
   64    61    62    63   3.62500 -1.0 2.0
   64    61    62    67   3.62500 -1.0 2.0
   44    40    43    50   0.06250  1.0 1.0
   44    40    43    50  -0.01100 -1.0 2.0
   44    40    43    50   0.28050  1.0 3.0
   45    44    52    53   0.19450  1.0 3.0
   46    44    52    53   0.19450  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   1.11900  1.0 1.0
   42    38    40    43  -1.16350 -1.0 2.0
   42    38    40    43  -0.34150  1.0 3.0
   42    38    40    44   0.62750  1.0 1.0
   42    38    40    44  -0.30950 -1.0 2.0
   42    38    40    44   0.27300  1.0 3.0
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
   55    59    54    50   4.00000 -1.0 2.0
   57    56    55    54   1.10000 -1.0 2.0
   59    67    58    57   4.00000 -1.0 2.0
   58    60    59    54   4.00000 -1.0 2.0
   62    64    61    60  10.50000 -1.0 2.0
   63    61    62    67   1.00000 -1.0 2.0
   58    62    67    68  10.50000 -1.0 2.0
   66    61    64    65   1.00000 -1.0 2.0
END
