* LIGAND DATABASE FILE (OPLS2005)
*
001      69    72    137    222     391
    1     0 S   NP   _N1_     1    28.72456    96.27446   -23.29245
    2     1 S   H    _HN1     2     1.02785   104.32395   -90.72028
    3     1 S   H    _H1_     3     1.02949    73.19245    14.49917
    4     1 S   H    _H2_     4     1.02828    37.48213   168.43845
    5     1 S   CT   _CA1     5     1.50117   139.08225   116.46136
    6     5 S   HC   _HA1     6     1.09574   105.18988    90.07762
    7     5 S   CO3  _C1_     7     1.53781   112.44262   -30.13951
    8     7 S   O2Z  _O11     8     1.26371   115.00487   -43.00216
    9     7 S   O2Z  _O12     9     1.26239   114.93963   136.08681
   10     5 S   CT   _CB1    10     1.53075   107.41275  -151.96818
   11    10 S   HC   HB11    11     1.09833   109.34557   -49.86968
   12    10 S   HC   HB12    12     1.09812   110.46218    66.72884
   13    10 S   CT   _CG1    13     1.52992   112.61556  -170.85252
   14    13 S   HC   HG11    14     1.09582   110.62785   -65.96656
   15    13 S   HC   HG12    15     1.09671   109.78727    53.26666
   16    13 S   C    _CD1    16     1.51804   112.20428   173.69323
   17    16 S   O    _OE1    17     1.22737   123.28040     7.04111
   18    16 S   N    _N2_    18     1.38659   111.68836  -172.99921
   19    18 S   H    _HN2    19     1.01578   118.95420     1.49227
   20    18 S   CT1  _CA2    20     1.46184   123.36016   177.32453
   21    20 S   HC   _HA2    21     1.09745   109.34498     2.85485
   22    20 S   C    _C2_    22     1.53572   108.64734  -112.57580
   23    22 S   O    _O2_    23     1.23061   122.27989  -148.16720
   24    20 S   CT   _CB2    32     1.53421   111.71671   124.81928
   25    24 S   HC   HB21    33     1.09519   109.82783    56.23400
   26    24 S   HC   HB22    34     1.09391   109.71162   175.02945
   27    22 S   N    _N3_    24     1.38326   113.71798    39.30109
   28    27 S   H    _HN3    25     1.01582   119.57943    -3.35456
   29    24 S   S    _SG2    35     1.82974   111.20812   -64.21818
   30    27 S   CT   _CA3    26     1.45283   123.22482   177.11486
   31    30 S   HC   HA31    27     1.09549   107.51432   -64.50948
   32    30 S   HC   HA32    28     1.09556   107.98311    51.93097
   33    29 S   CT   _C15    36     1.83233   101.62496  -164.63404
   34    30 S   CO3  _C3_    29     1.52962   114.07303   173.92568
   35    34 S   O2Z  _O31    30     1.26377   116.06774    -0.63919
   36    34 S   O2Z  _O32    31     1.26427   114.41238   179.41919
   37    33 S   CT   _C11    37     1.55091   113.79575   175.78555
   38    37 S   HC   _H24    38     1.10705   104.07573   162.35931
   39    33 S   CT   _C18    66     1.53936   108.63492   -61.84374
   40    39 S   HC   _H33    67     1.09509   112.14038    65.46316
   41    39 S   HC   _H34    68     1.09564   111.93084   -56.86355
   42    39 S   HC   _H35    69     1.09705   111.08458  -176.69856
   43    37 S   CO4  _C8_    39     1.53291   123.84738    47.07112
   44    43 S   O    _O16    40     1.22416   124.09218    10.46836
   45    37 S   CT   _C14    50     1.57163   107.09926   -86.34806
   46    43 S   C5BC _C5_    41     1.45910   112.74005  -174.17170
   47    45 S   C3T  _C12    51     1.52206   100.74685   -36.47282
   48    47 S   HC   _H25    52     1.08196   114.71798  -110.75928
   49    45 S   CT   _C17    58     1.54688   115.86254    83.52207
   50    49 S   HC   _H30    59     1.08970   113.80900   -55.93673
   51    49 S   HC   _H31    60     1.09687   109.95407  -175.17712
   52    49 S   HC   _H32    61     1.09433   112.71526    65.25552
   53    46 S   C5BC _C6_    42     1.41956   133.57851  -171.30225
   54    47 S   C3T  _C10    53     1.50483   123.87077    88.57504
   55    54 S   HC   _H22    54     1.08007   120.60592    16.66515
   56    54 S   HC   _H23    55     1.08573   117.18680   159.64415
   57    53 S   C5A  _C4_    43     1.38490   105.14213  -179.94405
   58    57 S   HA   _H19    44     1.08080   133.26956  -179.84677
   59    33 S   C3T  _C13    56     1.53390   112.92930    61.57933
   60    59 S   HC   _H26    57     1.08393   113.83824  -124.86570
   61    53 S   CT   _C16    62     1.48109   127.68985     0.18975
   62    61 S   HC   _H27    63     1.09465   110.46273   -61.15518
   63    61 S   HC   _H28    64     1.09466   110.49914    58.86814
   64    61 S   HC   _H29    65     1.09480   111.33256   178.85653
   65    57 S   OA   _O17    45     1.36170   111.57692     0.40348
   66    46 S   C5A  _C7_    46     1.38292   120.31692     9.31224
   67    66 S   CT   _C9_    47     1.49400   128.43861     2.02042
   68    67 S   HC   _H20    48     1.09568   111.19381   141.69878
   69    67 S   HC   _H21    49     1.09671   108.97545  -100.28168
  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  13   5   4   3
  19   2   1   1  23   9   9   3   2   1  12   4  17  12  14   7
   9   3   2   1   9   5   3   2   8   3   2   1   5   2   1   1
   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    59    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    45    47    54    59    60    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    46    67    45    47    48    54    55    56    59    60    49    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    46    53    66    67    68    69    45    47    48    54    59    60    49    50    51    52    39    40    41    42  
   43    44    46    67    45    47    59    49    39  
   40    41    42    43    45    47    54    59    60  
   41    42    59  
   42    59  
   59  
   44    46    53    57    65    66    67    45    47    59    49    61  
   46    53    66    45  
   47    48    54    55    56    59    60    49    50    51    52    46    65    66    67    68    69  
   53    57    58    65    66    67    68    69    61    62    63    64  
   48    54    55    56    59    60    49    50    51    52    66    67    68    69  
   54    55    56    59    60    49    67  
   50    51    52    54    59    66    67    68    69  
   51    52    67  
   52    67  
   67  
   57    58    65    66    67    61    62    63    64  
   55    56    59    60    67  
   56    59    60  
   59    60  
   58    65    66    67    61    62    63    64  
   65    66    61  
   60    67  
    0  
   62    63    64    65    66  
   63    64  
   64  
    0  
   66    67    68    69  
   67    68    69  
   68    69  
   69  
    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   0.167500   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.5500   0.0760  -0.143000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   66   3.5500   0.0700   0.008000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    59   275.000  1.510
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   317.000  1.522
   37    45   268.000  1.529
   43    44   570.000  1.229
   43    46   320.000  1.468
   46    53   469.000  1.424
   46    66   546.000  1.367
   53    57   546.000  1.367
   53    61   285.000  1.502
   57    58   367.000  1.080
   57    65   340.000  1.360
   65    66   340.000  1.360
   66    67   295.000  1.489
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    45   268.000  1.529
   45    47   275.000  1.510
   45    49   268.000  1.529
   47    48   340.000  1.088
   47    54   260.000  1.509
   47    59   260.000  1.509
   54    55   340.000  1.088
   54    56   340.000  1.088
   54    59   260.000  1.509
   59    60   340.000  1.088
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
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  111.63000
   29    33    59    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    37    45    58.35000  112.70000
   33    59    47    60.00000  120.94000
   33    59    54    60.00000  120.94000
   33    59    60    40.00000  115.04500
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    80.00000  120.40000
   37    43    46    65.00000  115.47100
   37    45    67    58.35000  112.70000
   37    45    47    70.00000  112.37300
   37    45    49    58.35000  112.70000
   43    37    38    35.00000  109.50000
   43    46    53    50.00000  131.05000
   43    46    66    60.00000  121.69000
   46    43    44    80.00000  122.10000
   46    53    57    70.00000  107.30000
   46    53    61    60.00000  130.00000
   46    66    65    70.00000  110.60000
   46    66    67    50.00000  133.50000
   53    57    58    35.00000  132.10000
   53    57    65    70.00000  110.60000
   53    61    62    35.00000  109.50000
   53    61    63    35.00000  109.50000
   53    61    64    35.00000  109.50000
   57    65    66    70.00000  106.50000
   65    57    58    35.00000  113.40000
   65    66    67    80.00000  116.10000
   66    46    53    70.00000  107.30000
   66    67    68    45.00000  110.47400
   66    67    69    45.00000  110.47400
   66    67    45    70.00000  113.44400
   67    45    47    70.00000  112.37300
   67    45    49    58.35000  112.70000
   69    67    68    33.00000  107.80000
   45    37    38    37.50000  110.70000
   45    37    43    63.00000  111.10000
   45    67    68    37.50000  110.70000
   45    67    69    37.50000  110.70000
   45    47    48    40.00000  115.04500
   45    47    54    60.00000  120.94000
   45    47    59    60.00000  120.94000
   45    49    50    37.50000  110.70000
   45    49    51    37.50000  110.70000
   45    49    52    37.50000  110.70000
   47    54    55    37.50000  117.20000
   47    54    56    37.50000  117.20000
   47    54    59    10.00000   60.00500
   47    59    54    10.00000   60.00500
   47    59    60    37.50000  117.20000
   54    47    48    37.50000  117.20000
   54    59    60    37.50000  117.20000
   56    54    55    35.00000  114.30000
   59    33    37    70.00000  112.37300
   59    47    48    37.50000  117.20000
   59    47    54    10.00000   60.00500
   59    54    55    37.50000  117.20000
   59    54    56    37.50000  117.20000
   49    45    47    70.00000  112.37300
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   61    53    57    60.00000  130.00000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    59    70.00000  112.37300
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    59   0.01700  1.0 1.0
   24    29    33    59  -0.23550 -1.0 2.0
   24    29    33    59   0.21350  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   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    37    45   0.44750  1.0 1.0
   29    33    37    45  -0.17800 -1.0 2.0
   29    33    37    45   0.20200  1.0 3.0
   29    33    59    47   0.44750  1.0 1.0
   29    33    59    47  -0.17800 -1.0 2.0
   29    33    59    47   0.20200  1.0 3.0
   29    33    59    54   0.44750  1.0 1.0
   29    33    59    54  -0.17800 -1.0 2.0
   29    33    59    54   0.20200  1.0 3.0
   29    33    59    60   0.15000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   0.30150 -1.0 2.0
   33    37    43    46   0.05850 -1.0 2.0
   33    37    43    46   0.17250  1.0 3.0
   33    37    45    67   0.56750  1.0 1.0
   33    37    45    67  -0.07550 -1.0 2.0
   33    37    45    67   0.20000  1.0 3.0
   33    37   -45    47   0.47050  1.0 1.0
   33    37   -45    47   0.03900 -1.0 2.0
   33    37   -45    47   0.20100  1.0 3.0
   33    37    45    49   0.56750  1.0 1.0
   33    37    45    49  -0.07550 -1.0 2.0
   33    37    45    49   0.20000  1.0 3.0
   37    33   -59    47   0.07850  1.0 1.0
   37    33   -59    47  -0.03950 -1.0 2.0
   37    33   -59    47   0.67350  1.0 3.0
   37    33    59    54   0.07850  1.0 1.0
   37    33    59    54  -0.03950 -1.0 2.0
   37    33    59    54   0.67350  1.0 3.0
   37    33    59    60   0.15000  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    46    53   2.26350  1.0 1.0
   37    43    46    53   0.76750 -1.0 2.0
   37    43    46    53   0.22500  1.0 3.0
   37    43    46    66   2.26350  1.0 1.0
   37    43    46    66   0.76750 -1.0 2.0
   37    43    46    66   0.22500  1.0 3.0
   37    45    47    48   0.15000  1.0 3.0
   37    45   -47    54   0.07850  1.0 1.0
   37    45   -47    54  -0.03950 -1.0 2.0
   37    45   -47    54   0.67350  1.0 3.0
   37    45   -47    59   0.07850  1.0 1.0
   37    45   -47    59  -0.03950 -1.0 2.0
   37    45   -47    59   0.67350  1.0 3.0
   37    45    49    50   0.15000  1.0 3.0
   37    45    49    51   0.15000  1.0 3.0
   37    45    49    52   0.15000  1.0 3.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    46   0.00000  1.0 1.0
   38    37    45    67   0.15000  1.0 3.0
   38    37    45    47   0.15000  1.0 3.0
   38    37    45    49   0.15000  1.0 3.0
   43    37    45    67  -0.95700  1.0 1.0
   43    37    45    67  -0.18200 -1.0 2.0
   43    37    45    67   0.29450  1.0 3.0
   43    37    45    47  -0.95700  1.0 1.0
   43    37    45    47  -0.18200 -1.0 2.0
   43    37    45    47   0.29450  1.0 3.0
   43    37    45    49  -0.95700  1.0 1.0
   43    37    45    49  -0.18200 -1.0 2.0
   43    37    45    49   0.29450  1.0 3.0
   43    46    53    57   3.62500 -1.0 2.0
   43    46    53    61   3.62500 -1.0 2.0
   43    46    66    65   3.62500 -1.0 2.0
   43    46   -66    67   3.62500 -1.0 2.0
   44    43    46    53   1.05000 -1.0 2.0
   44    43    46    66   1.05000 -1.0 2.0
   46    53    57    58   3.62500 -1.0 2.0
   46    53   -57    65   3.62500 -1.0 2.0
   46    53    61    62   0.00000  1.0 1.0
   46    53    61    63   0.00000  1.0 1.0
   46    53    61    64   0.00000  1.0 1.0
   46    66    67    68   0.00000  1.0 1.0
   46    66    67    69   0.00000  1.0 1.0
   46    66    67    45   0.04150 -1.0 2.0
   53    46   -66    65   3.62500 -1.0 2.0
   53    46    66    67   3.62500 -1.0 2.0
   53    57   -65    66   3.62500 -1.0 2.0
   57    53    61    62   0.00000  1.0 1.0
   57    53    61    63   0.00000  1.0 1.0
   57    53    61    64   0.00000  1.0 1.0
   57    65   -66    46   3.62500 -1.0 2.0
   57    65    66    67   3.62500 -1.0 2.0
   58    57    65    66   3.62500 -1.0 2.0
   65    66    67    68   0.00000  1.0 1.0
   65    66    67    69   0.00000  1.0 1.0
   65    66    67    45   0.38650  1.0 1.0
   65    66    67    45  -0.24750 -1.0 2.0
   65    66    67    45   0.76750  1.0 3.0
   66    46   -53    57   3.62500 -1.0 2.0
   66    46    53    61   3.62500 -1.0 2.0
   66    67   -45    37  -0.03700  1.0 1.0
   66    67   -45    37   0.37200 -1.0 2.0
   66    67   -45    37  -0.47300  1.0 3.0
   66    67    45    47  -0.03700  1.0 1.0
   66    67    45    47   0.37200 -1.0 2.0
   66    67    45    47  -0.47300  1.0 3.0
   66    67    45    49  -0.03700  1.0 1.0
   66    67    45    49   0.37200 -1.0 2.0
   66    67    45    49  -0.47300  1.0 3.0
   67    45    47    48   0.15000  1.0 3.0
   67    45    47    54   0.07850  1.0 1.0
   67    45    47    54  -0.03950 -1.0 2.0
   67    45    47    54   0.67350  1.0 3.0
   67    45    47    59   0.07850  1.0 1.0
   67    45    47    59  -0.03950 -1.0 2.0
   67    45    47    59   0.67350  1.0 3.0
   67    45    49    50   0.15000  1.0 3.0
   67    45    49    51   0.15000  1.0 3.0
   67    45    49    52   0.15000  1.0 3.0
   68    67    45    37   0.15000  1.0 3.0
   68    67    45    47   0.15000  1.0 3.0
   68    67    45    49   0.15000  1.0 3.0
   69    67    45    37   0.15000  1.0 3.0
   69    67    45    47   0.15000  1.0 3.0
   69    67    45    49   0.15000  1.0 3.0
   45    37    43    44   0.30150 -1.0 2.0
   45    37   -43    46   0.05850 -1.0 2.0
   45    37   -43    46   0.17250  1.0 3.0
   45    47    54    55   0.15000  1.0 3.0
   45    47    54    56   0.15000  1.0 3.0
   45    47   -54    59   0.07850  1.0 1.0
   45    47   -54    59  -0.03950 -1.0 2.0
   45    47   -54    59   0.67350  1.0 3.0
   45    47   -59    33   0.56750  1.0 1.0
   45    47   -59    33  -0.07550 -1.0 2.0
   45    47   -59    33   0.20000  1.0 3.0
   45    47   -59    54   0.07850  1.0 1.0
   45    47   -59    54  -0.03950 -1.0 2.0
   45    47   -59    54   0.67350  1.0 3.0
   45    47    59    60   0.15000  1.0 3.0
   47    45    49    50   0.15000  1.0 3.0
   47    45    49    51   0.15000  1.0 3.0
   47    45    49    52   0.15000  1.0 3.0
   47    54   -59    33   0.07850  1.0 1.0
   47    54   -59    33  -0.03950 -1.0 2.0
   47    54   -59    33   0.67350  1.0 3.0
   47    54   -59    60   0.15000  1.0 3.0
   48    47    54    55   0.15000  1.0 3.0
   48    47    54    56   0.15000  1.0 3.0
   48    47   -54    59   0.15000  1.0 3.0
   48    47    59    33   0.15000  1.0 3.0
   48    47   -59    54   0.15000  1.0 3.0
   48    47    59    60   0.15000  1.0 3.0
   54    47   -59    33   0.07850  1.0 1.0
   54    47   -59    33  -0.03950 -1.0 2.0
   54    47   -59    33   0.67350  1.0 3.0
   54    47   -59    60   0.15000  1.0 3.0
   55    54    59    33   0.15000  1.0 3.0
   55    54   -59    47   0.15000  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   56    54    59    33   0.15000  1.0 3.0
   56    54   -59    47   0.15000  1.0 3.0
   56    54    59    60   0.15000  1.0 3.0
   59    33    37    38   0.15000  1.0 3.0
   59    33    37    43  -0.95700  1.0 1.0
   59    33    37    43  -0.18200 -1.0 2.0
   59    33    37    43   0.29450  1.0 3.0
   59    33   -37    45   0.47050  1.0 1.0
   59    33   -37    45   0.03900 -1.0 2.0
   59    33   -37    45   0.20100  1.0 3.0
   59    33    39    40   0.15000  1.0 3.0
   59    33    39    41   0.15000  1.0 3.0
   59    33    39    42   0.15000  1.0 3.0
   59    47   -54    55   0.15000  1.0 3.0
   59    47   -54    56   0.15000  1.0 3.0
   49    45    47    48   0.15000  1.0 3.0
   49    45    47    54   0.07850  1.0 1.0
   49    45    47    54  -0.03950 -1.0 2.0
   49    45    47    54   0.67350  1.0 3.0
   49    45    47    59   0.07850  1.0 1.0
   49    45    47    59  -0.03950 -1.0 2.0
   49    45    47    59   0.67350  1.0 3.0
   61    53    57    58   3.62500 -1.0 2.0
   61    53    57    65   3.62500 -1.0 2.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43  -0.95700  1.0 1.0
   39    33    37    43  -0.18200 -1.0 2.0
   39    33    37    43   0.29450  1.0 3.0
   39    33    37    45   0.56750  1.0 1.0
   39    33    37    45  -0.07550 -1.0 2.0
   39    33    37    45   0.20000  1.0 3.0
   39    33    59    47   0.07850  1.0 1.0
   39    33    59    47  -0.03950 -1.0 2.0
   39    33    59    47   0.67350  1.0 3.0
   39    33    59    54   0.07850  1.0 1.0
   39    33    59    54  -0.03950 -1.0 2.0
   39    33    59    54   0.67350  1.0 3.0
   39    33    59    60   0.15000  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
   37    46    43    44  10.50000 -1.0 2.0
   53    66    46    43   4.00000 -1.0 2.0
   57    61    53    46   4.00000 -1.0 2.0
   65    58    57    53   1.10000 -1.0 2.0
   65    67    66    46   4.00000 -1.0 2.0
END
