* LIGAND DATABASE FILE (OPLS2005)
*
001      68    72    127    215     375
    1     0 S   NP   _N1_     1    28.40450    94.12311   -24.77894
    2     1 S   H    _HN1     2     1.02957    91.77936    -1.46260
    3     1 S   H    _H1_     3     1.02836    15.52800   168.56694
    4     1 S   H    _H2_     4     1.02778   111.47205  -111.97111
    5     1 S   CT   _CA1     5     1.50142   120.32447   113.50341
    6     5 S   HC   _HA1     6     1.09577   105.19657    72.79471
    7     5 S   CO3  _C1_     7     1.53774   112.30774   -47.35528
    8     7 S   O2Z  _O11     8     1.26368   114.99449   -44.83367
    9     7 S   O2Z  _O12     9     1.26231   114.92273   134.13431
   10     5 S   CT   _CB1    10     1.53084   107.40503  -169.34216
   11    10 S   HC   HB11    11     1.09831   109.28717   -50.49650
   12    10 S   HC   HB12    12     1.09815   110.45462    66.04043
   13    10 S   CT   _CG1    13     1.53035   112.70003  -171.55280
   14    13 S   HC   HG11    14     1.09592   110.52274   -65.23419
   15    13 S   HC   HG12    15     1.09659   109.89171    53.98192
   16    13 S   C    _CD1    16     1.51857   112.23323   174.31714
   17    16 S   O    _OE1    17     1.22770   123.24990     2.24332
   18    16 S   N    _N2_    18     1.38568   111.79519  -177.71124
   19    18 S   H    _HN2    19     1.01561   119.09836     3.72547
   20    18 S   CT1  _CA2    20     1.45750   122.77045   177.61148
   21    20 S   HC   _HA2    21     1.09766   108.82152    25.73952
   22    20 S   C    _C2_    22     1.53084   107.66686   -90.88131
   23    22 S   O    _O2_    23     1.22938   123.26565   -20.81189
   24    20 S   CT   _CB2    32     1.53166   112.30089   148.80322
   25    24 S   HC   HB21    33     1.09586   110.77749    52.12826
   26    24 S   HC   HB22    34     1.09290   109.72698   170.83826
   27    22 S   N    _N3_    24     1.38594   112.29939   161.65040
   28    27 S   H    _HN3    25     1.01657   120.16417    -2.88412
   29    24 S   S    _SG2    35     1.82342   111.34502   -68.69582
   30    27 S   CT   _CA3    26     1.45331   122.82780   177.84106
   31    30 S   HC   HA31    27     1.09559   108.26487   -46.46540
   32    30 S   HC   HA32    28     1.09545   107.29474    70.01777
   33    29 S   CT   _C23    36     1.87921    99.29134  -165.81134
   34    33 S   HC   _H3_    37     1.09923   107.51403   -20.53392
   35    30 S   CO3  _C3_    29     1.52962   114.15299  -168.55614
   36    35 S   O2Z  _O31    30     1.26356   116.08674     2.06166
   37    35 S   O2Z  _O32    31     1.26434   114.40207  -178.03736
   38    33 S   CA   _C21    38     1.52541   107.33706    97.01398
   39    33 S   CT   _C22    66     1.56456   114.67008  -140.39434
   40    39 S   OM   _O21    67     1.32459   108.98891    53.60727
   41    39 S   HC   _H33    68     1.10391   105.05589  -179.86012
   42    38 S   CA   _C13    39     1.39968   119.45800   -88.53396
   43    42 S   HA   _H32    40     1.08886   119.07712    -6.53690
   44    38 S   CR3  _C19    65     1.40911   119.59809    86.01175
   45    42 S   CA   _C15    41     1.39439   121.28587   171.93803
   46    45 S   CA   _C7_    42     1.40594   119.35687  -179.28564
   47    46 S   HA   _H26    43     1.08896   120.54472    -0.44499
   48    46 S   CA   _C4_    44     1.39092   121.04982   179.06875
   49    48 S   HA   _H23    45     1.08579   120.16124  -179.84549
   50    48 S   CA   _C5_    46     1.38554   119.46619    -0.07662
   51    50 S   HA   _H24    47     1.08621   120.11958  -179.98022
   52    50 S   CA   _C8_    48     1.39807   119.93387    -0.09691
   53    52 S   HA   _H27    49     1.08672   116.53402   179.90721
   54    45 S   CA   _C16    50     1.41564   119.80314    -0.46562
   55    54 S   CA   _C17    51     1.44130   119.16428     0.90655
   56    55 S   CA   _C11    52     1.41069   123.08888  -177.60714
   57    56 S   HA   _H30    53     1.08664   121.31409     0.51244
   58    56 S   CA   _C10    54     1.39460   122.24997   179.60140
   59    58 S   HA   _H29    55     1.08823   118.55924  -179.27828
   60    58 S   CA   _C14    56     1.39299   120.67231     2.31029
   61    60 S   CA   _C9_    57     1.40204   120.01118   177.58394
   62    61 S   HA   _H28    58     1.08803   120.67105     2.09938
   63    61 S   CA   _C6_    59     1.38948   120.66351  -176.56995
   64    63 S   HA   _H25    60     1.08595   120.12873   178.78630
   65    63 S   CA   _C12    61     1.39029   119.82722     0.59774
   66    65 S   HA   _H31    62     1.08713   118.15064   176.73931
   67    65 S   CA   _C20    63     1.40911   120.91022    -2.33263
   68    60 S   CR3  _C18    64     1.41433   119.50055    -1.20333
  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   9   5   4   3
  13   7   2   1   1  14  10   4   3  10   4  12  10   8   4   6
   3   5   3   4   2   5   7   6   3   7   3   7   7   4   5   3
   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    42    67    44    39    40    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    45    55    65    67    68    44    39    40    41  
   38    42    67    44    39    40    41  
   36    37  
   37  
    0  
   42    43    45    46    54    55    56    60    67    68    44    39    40    41  
   40    41    42    44    60    63    65    66    67    68  
   41    65    67    68  
   65    67    68  
   43    45    46    47    48    52    54    55    68    44  
   45    46    54    44  
   45    52    54    55    56    57    58    60    61    65    67    68  
   46    47    48    49    50    52    53    54    55    56  
   47    48    49    50    51    52    54    55  
   48    49    50    54  
   49    50    51    52    53    54  
   50    51    52  
   51    52    53    54    55  
   52    53    54  
   53    54    55    56  
   54    55  
   55    56    57    58    68  
   56    57    58    59    60    67    68  
   57    58    59    60    61    68  
   58    59    60  
   59    60    61    62    63    67    68  
   60    61    68  
   61    62    63    64    65    67    68  
   62    63    64    65    66    67    68  
   63    64    65    68  
   64    65    66    67    68  
   65    66    67  
   66    67    68  
   67    68  
   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   0.222500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   4.2000   0.3000   0.035000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
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   268.000  1.529
   38    42   469.000  1.400
   38    44   490.000  1.398
   42    43   367.000  1.080
   42    45   469.000  1.400
   45    46   469.000  1.400
   45    54   469.000  1.400
   46    47   367.000  1.080
   46    48   469.000  1.400
   48    49   367.000  1.080
   48    50   469.000  1.400
   50    51   367.000  1.080
   50    52   469.000  1.400
   52    53   367.000  1.080
   52    54   469.000  1.400
   54    55   469.000  1.400
   55    56   469.000  1.400
   55    44   490.000  1.398
   56    57   367.000  1.080
   56    58   469.000  1.400
   58    59   367.000  1.080
   58    60   469.000  1.400
   60    61   469.000  1.400
   60    68   490.000  1.398
   61    62   367.000  1.080
   61    63   469.000  1.400
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   367.000  1.080
   65    67   469.000  1.400
   67    68   490.000  1.398
   67    39   317.000  1.510
   68    44   490.000  1.398
   39    40   570.000  1.307
   39    41   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    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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    44    80.00000  105.07000
   33    39    67    70.00000  112.17500
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    45    63.00000  120.00000
   38    44    55    60.00000  130.80000
   38    44    68    60.00000  130.80000
   42    45    46    63.00000  120.00000
   42    45    54    63.00000  120.00000
   45    42    43    35.00000  120.00000
   45    46    47    35.00000  120.00000
   45    46    48    63.00000  120.00000
   45    54    52    63.00000  120.00000
   45    54    55    63.00000  120.00000
   46    48    49    35.00000  120.00000
   46    48    50    63.00000  120.00000
   48    46    47    35.00000  120.00000
   48    50    51    35.00000  120.00000
   48    50    52    63.00000  120.00000
   50    48    49    35.00000  120.00000
   50    52    53    35.00000  120.00000
   50    52    54    63.00000  120.00000
   52    50    51    35.00000  120.00000
   52    54    55    63.00000  120.00000
   54    45    46    63.00000  120.00000
   54    52    53    35.00000  120.00000
   54    55    56    63.00000  120.00000
   54    55    44    70.00000  112.88000
   55    56    57    35.00000  120.00000
   55    56    58    63.00000  120.00000
   55    44    68    60.00000  130.80000
   56    58    59    35.00000  120.00000
   56    58    60    63.00000  120.00000
   58    56    57    35.00000  120.00000
   58    60    61    63.00000  120.00000
   58    60    68    70.00000  112.88000
   60    58    59    35.00000  120.00000
   60    61    62    35.00000  120.00000
   60    61    63    63.00000  120.00000
   60    68    67    60.00000  130.80000
   60    68    44    60.00000  130.80000
   61    63    64    35.00000  120.00000
   61    63    65    63.00000  120.00000
   63    61    62    35.00000  120.00000
   63    65    66    35.00000  120.00000
   63    65    67    63.00000  120.00000
   65    63    64    35.00000  120.00000
   65    67    68    70.00000  112.88000
   65    67    39    70.00000  120.00000
   67    65    66    35.00000  120.00000
   67    68    44    60.00000  130.80000
   67    39    40    85.00000  111.85700
   67    39    41    35.00000  109.50000
   68    60    61    70.00000  112.88000
   44    38    42    70.00000  112.88000
   44    55    56    70.00000  112.88000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    67    68    80.00000  105.07000
   41    39    40    45.00000  125.66300
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    44  -0.16000  1.0 1.0
   29    33    38    44  -0.03200 -1.0 2.0
   29    33    38    44   0.04500  1.0 3.0
   29    33    39    67   0.56750  1.0 1.0
   29    33    39    67  -0.07550 -1.0 2.0
   29    33    39    67   0.20000  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    45   3.62500 -1.0 2.0
   33    38    44    55   3.62500 -1.0 2.0
   33    38    44    68   3.62500 -1.0 2.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    44   0.00000  1.0 1.0
   34    33    39    67   0.43200  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   38    33    39    67  -0.94300  1.0 1.0
   38    33    39    67   1.32550 -1.0 2.0
   38    33    39    67  -0.07100  1.0 3.0
   38    33    39    40  -0.64350  1.0 1.0
   38    33    39    40  -0.04200 -1.0 2.0
   38    33    39    40   0.19800  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    42    45    46   3.62500 -1.0 2.0
   38    42    45    54   3.62500 -1.0 2.0
   42    38    44    55   3.62500 -1.0 2.0
   42    38    44    68   3.62500 -1.0 2.0
   42    45    46    47   3.62500 -1.0 2.0
   42    45    46    48   3.62500 -1.0 2.0
   42    45    54    52   3.62500 -1.0 2.0
   42    45   -54    55   3.62500 -1.0 2.0
   43    42    45    46   3.62500 -1.0 2.0
   43    42    45    54   3.62500 -1.0 2.0
   45    46    48    49   3.62500 -1.0 2.0
   45    46    48    50   3.62500 -1.0 2.0
   45    54    55    56   3.62500 -1.0 2.0
   45    54    55    44   3.62500 -1.0 2.0
   46    45    54    52   3.62500 -1.0 2.0
   46    45    54    55   3.62500 -1.0 2.0
   46    48    50    51   3.62500 -1.0 2.0
   46    48   -50    52   3.62500 -1.0 2.0
   47    46    48    49   3.62500 -1.0 2.0
   47    46    48    50   3.62500 -1.0 2.0
   48    50    52    53   3.62500 -1.0 2.0
   48    50    52    54   3.62500 -1.0 2.0
   49    48    50    51   3.62500 -1.0 2.0
   49    48    50    52   3.62500 -1.0 2.0
   50    52   -54    45   3.62500 -1.0 2.0
   50    52    54    55   3.62500 -1.0 2.0
   51    50    52    53   3.62500 -1.0 2.0
   51    50    52    54   3.62500 -1.0 2.0
   52    54    55    56   3.62500 -1.0 2.0
   52    54    55    44   3.62500 -1.0 2.0
   53    52    54    45   3.62500 -1.0 2.0
   53    52    54    55   3.62500 -1.0 2.0
   54    45    46    47   3.62500 -1.0 2.0
   54    45   -46    48   3.62500 -1.0 2.0
   54    55    56    57   3.62500 -1.0 2.0
   54    55    56    58   3.62500 -1.0 2.0
   54    55   -44    38   3.62500 -1.0 2.0
   54    55    44    68   3.62500 -1.0 2.0
   55    56    58    59   3.62500 -1.0 2.0
   55    56    58    60   3.62500 -1.0 2.0
   56    55    44    38   3.62500 -1.0 2.0
   56    55    44    68   3.62500 -1.0 2.0
   56    58    60    61   3.62500 -1.0 2.0
   56    58   -60    68   3.62500 -1.0 2.0
   57    56    58    59   3.62500 -1.0 2.0
   57    56    58    60   3.62500 -1.0 2.0
   58    60    61    62   3.62500 -1.0 2.0
   58    60    61    63   3.62500 -1.0 2.0
   58    60    68    67   3.62500 -1.0 2.0
   58    60    68    44   3.62500 -1.0 2.0
   59    58    60    61   3.62500 -1.0 2.0
   59    58    60    68   3.62500 -1.0 2.0
   60    61    63    64   3.62500 -1.0 2.0
   60    61    63    65   3.62500 -1.0 2.0
   60    68    44    38   3.62500 -1.0 2.0
   60    68   -44    55   3.62500 -1.0 2.0
   61    60    68    67   3.62500 -1.0 2.0
   61    60    68    44   3.62500 -1.0 2.0
   61    63    65    66   3.62500 -1.0 2.0
   61    63   -65    67   3.62500 -1.0 2.0
   62    61    63    64   3.62500 -1.0 2.0
   62    61    63    65   3.62500 -1.0 2.0
   63    65    67    68   3.62500 -1.0 2.0
   63    65    67    39   3.62500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   64    63    65    67   3.62500 -1.0 2.0
   65    67   -68    60   3.62500 -1.0 2.0
   65    67    68    44   3.62500 -1.0 2.0
   65    67    39    33   0.04150 -1.0 2.0
   65    67    39    40   0.64500  1.0 1.0
   65    67    39    40   0.14800 -1.0 2.0
   65    67    39    40   0.20650  1.0 3.0
   65    67    39    41   0.00000  1.0 1.0
   66    65    67    68   3.62500 -1.0 2.0
   66    65    67    39   3.62500 -1.0 2.0
   67    68   -44    38   3.62500 -1.0 2.0
   67    68    44    55   3.62500 -1.0 2.0
   68    60    61    62   3.62500 -1.0 2.0
   68    60   -61    63   3.62500 -1.0 2.0
   68    67   -39    33   0.04150 -1.0 2.0
   68    67    39    40   0.64500  1.0 1.0
   68    67    39    40   0.14800 -1.0 2.0
   68    67    39    40   0.20650  1.0 3.0
   68    67    39    41   0.00000  1.0 1.0
   44    38    42    43   3.62500 -1.0 2.0
   44    38   -42    45   3.62500 -1.0 2.0
   44    55    56    57   3.62500 -1.0 2.0
   44    55   -56    58   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    44   0.04150 -1.0 2.0
   39    67    68    60   3.62500 -1.0 2.0
   39    67   -68    44   3.62500 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   42    44    38    33   4.00000 -1.0 2.0
   45    43    42    38   1.10000 -1.0 2.0
   46    54    45    42   4.00000 -1.0 2.0
   48    47    46    45   1.10000 -1.0 2.0
   50    49    48    46   1.10000 -1.0 2.0
   52    51    50    48   1.10000 -1.0 2.0
   54    53    52    50   1.10000 -1.0 2.0
   52    55    54    45   4.00000 -1.0 2.0
   56    44    55    54   4.00000 -1.0 2.0
   58    57    56    55   1.10000 -1.0 2.0
   60    59    58    56   1.10000 -1.0 2.0
   61    68    60    58   4.00000 -1.0 2.0
   63    62    61    60   1.10000 -1.0 2.0
   65    64    63    61   1.10000 -1.0 2.0
   67    66    65    63   1.10000 -1.0 2.0
   68    39    67    65   4.00000 -1.0 2.0
   67    44    68    60   4.00000 -1.0 2.0
   55    68    44    38   4.00000 -1.0 2.0
END
