* LIGAND DATABASE FILE (OPLS2005)
*
001      70    73    136    217     393
    1     0 S   NP   _N1_     1    28.75731    95.91178   -24.61906
    2     1 S   H    _HN1     2     1.02945    72.34810     5.39463
    3     1 S   H    _H1_     3     1.02825    35.06584   177.45878
    4     1 S   H    _H2_     4     1.02799   115.19025   -97.08583
    5     1 S   CT   _CA1     5     1.50139   128.55454   107.76778
    6     5 S   HC   _HA1     6     1.09574   105.13601    94.50006
    7     5 S   CO3  _C1_     7     1.53753   112.48138   -25.69434
    8     7 S   O2Z  _O11     8     1.26381   114.99821   -42.05812
    9     7 S   O2Z  _O12     9     1.26232   114.93734   136.87022
   10     5 S   CT   _CB1    10     1.53040   107.38927  -147.52678
   11    10 S   HC   HB11    11     1.09849   109.30105   -49.00225
   12    10 S   HC   HB12    12     1.09810   110.49050    67.57597
   13    10 S   CT   _CG1    13     1.53046   112.67748  -169.90665
   14    13 S   HC   HG11    14     1.09559   110.82784   -68.81240
   15    13 S   HC   HG12    15     1.09664   109.63458    50.44808
   16    13 S   C    _CD1    16     1.51819   111.71709   171.00278
   17    16 S   O    _OE1    17     1.22775   123.06082    17.52423
   18    16 S   N    _N2_    18     1.38622   111.98163  -162.48478
   19    18 S   H    _HN2    19     1.01565   119.00954     0.69492
   20    18 S   CT1  _CA2    20     1.46245   123.33554   175.64859
   21    20 S   HC   _HA2    21     1.09739   109.29671     8.70407
   22    20 S   C    _C2_    22     1.53745   108.94007  -106.77344
   23    22 S   O    _O2_    23     1.23083   122.19188  -150.07990
   24    20 S   CT   _CB2    32     1.53421   111.54100   130.80482
   25    24 S   HC   HB21    33     1.09240   109.41782    56.61101
   26    24 S   HC   HB22    34     1.09469   109.70169   175.23980
   27    22 S   N    _N3_    24     1.38302   113.92126    37.49346
   28    27 S   H    _HN3    25     1.01523   119.60147    -3.38200
   29    24 S   S    _SG2    35     1.82841   111.13789   -65.61334
   30    27 S   CT   _CA3    26     1.45276   123.37660   177.22950
   31    30 S   HC   HA31    27     1.09547   107.53274   -64.12210
   32    30 S   HC   HA32    28     1.09552   107.98412    52.35270
   33    29 S   CT   _C17    36     1.88850   103.10979   166.87242
   34    30 S   CO3  _C3_    29     1.53008   113.97930   174.29192
   35    34 S   O2Z  _O31    30     1.26400   116.07282    -1.69962
   36    34 S   O2Z  _O32    31     1.26424   114.43470   178.35932
   37    33 S   CT   _C10    37     1.57021   109.45288    40.09375
   38    37 S   HC   _H26    38     1.09949   108.75961    48.14555
   39    37 S   HC   _H27    39     1.08766   108.68428   -66.62938
   40    33 S   CT   _C14    63     1.60933   112.85106   -87.48354
   41    40 S   OM   _O16    64     1.32974   109.35472   -64.73093
   42    40 S   HC   _H31    65     1.09435   105.01157   169.98853
   43    33 S   CT   _C18    67     1.56007   103.27485   153.21713
   44    43 S   HC   _H34    68     1.09674   112.91656    53.52642
   45    43 S   HC   _H35    69     1.09719   111.49912   -66.87810
   46    43 S   HC   _H36    70     1.09599   111.06735   173.46652
   47    37 S   CT   _C15    40     1.54673   116.11247   169.39156
   48    47 S   HC   _H32    41     1.09416   111.46881    25.06847
   49    47 S   CT   _C13    42     1.53897   114.18386   152.07671
   50    49 S   HC   _H30    43     1.10076   108.45214    44.96355
   51    49 S   CM   _C6_    44     1.49590    98.49292   154.73967
   52    49 S   CT   _C11    51     1.55293   116.50335   -78.31649
   53    52 S   HC   _H28    52     1.09283   113.50432  -132.95444
   54    51 S   CO4  _C8_    45     1.48243   107.82929   -28.11697
   55    54 S   O    _O18    46     1.21734   127.13329  -167.09322
   56    51 S   CM   _C9_    48     1.33572   131.16024   151.70346
   57    56 S   HC   _H24    49     1.08384   121.75422     0.93670
   58    56 S   HC   _H25    50     1.08572   121.46819  -179.80119
   59    52 S   CM   _C4_    53     1.47989   114.77688    -4.22392
   60    59 S   HC   _H23    54     1.08166   123.18454   -67.58196
   61    47 S   OS   _O20    47     1.44310   109.65948   -91.30584
   62    59 S   CM   _C5_    55     1.33368   111.59900   100.84484
   63    62 S   CO4  _C7_    56     1.47846   105.13995    11.82452
   64    63 S   O    _O17    57     1.21901   125.30535   176.36078
   65    62 S   C3T  _C12    59     1.45274   130.12809  -162.86095
   66    65 S   HC   _H29    60     1.08677   112.51850  -155.65891
   67    52 S   OS   _O19    58     1.43797   107.35626   109.08810
   68    65 S   C3T  _C16    61     1.53807   119.15505    64.09187
   69    68 S   HC   _H33    62     1.08690   115.31111   136.88878
   70    65 S   O3T  _O21    66     1.42256   125.89161    -6.35490
  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
  18   2   1   1  18   7   6  13   6   5   5   2   1   1  12   6
  15   8  10  11   5   5   2   3   1   1   9   4   1   8   6   2
   5   3   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    47    68    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    47    48    49    61    65    68    69    40    41    42    70    43    44    45    46  
   35    36  
   36  
    0  
   38    39    47    48    49    50    51    54    61    52    68    40    41    42    43    44    45    46  
   39    47    48    49    61    40    43  
   47    48    49    61    40    43  
   41    42    70    43    44    45    46    47    62    65    66    68    69  
   42    70    43    65    68    69  
   70    43    65    68    69  
   44    45    46    47    68  
   45    46  
   46  
    0  
   48    49    50    51    54    55    61    56    52    53    59    67  
   49    50    51    54    61    52  
   50    51    54    55    61    56    57    58    52    53    59    60    62    63    67  
   51    54    61    56    52    53    59    67  
   54    55    61    56    57    58    52    53    59    67  
   53    59    60    62    63    64    67    65    54    56    61  
   59    60    62    63    67  
   55    61    56    57    58  
   61    56  
   57    58    61  
   58  
    0  
   60    62    63    64    67    65    66    68    70  
   62    63    67    65  
    0  
   63    64    67    65    66    68    69    70  
   64    67    65    66    68    70  
   67    65  
   66    68    69    70    67  
   68    69    70  
    0  
   69    70  
   70  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
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    40   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    61   320.000  1.410
   49    50   340.000  1.090
   49    51   317.000  1.510
   49    52   268.000  1.529
   51    54   320.000  1.462
   51    56   549.000  1.340
   54    55   570.000  1.229
   54    61   214.000  1.327
   56    57   340.000  1.080
   56    58   340.000  1.080
   52    53   340.000  1.090
   52    59   317.000  1.510
   52    67   320.000  1.410
   59    60   340.000  1.080
   59    62   549.000  1.340
   62    63   320.000  1.462
   62    65   305.000  1.480
   63    64   570.000  1.229
   63    67   214.000  1.327
   65    66   340.000  1.088
   65    68   260.000  1.509
   65    70   335.000  1.432
   68    69   340.000  1.088
   68    40   275.000  1.510
   68    70   335.000  1.432
   40    41   570.000  1.307
   40    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    40    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    47    58.35000  112.70000
   33    40    68    70.00000  112.37300
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    46    37.50000  110.70000
   37    47    48    37.50000  110.70000
   37    47    49    58.35000  112.70000
   37    47    61    50.00000  109.50000
   39    37    38    33.00000  107.80000
   47    37    38    37.50000  110.70000
   47    37    39    37.50000  110.70000
   47    49    50    37.50000  110.70000
   47    49    51    70.00000  112.02700
   47    49    52    58.35000  112.70000
   47    61    54    83.00000  116.90000
   49    47    48    37.50000  110.70000
   49    51    54    65.00000  116.34900
   49    51    56    70.00000  124.00000
   49    52    53    37.50000  110.70000
   49    52    59    70.00000  112.02700
   49    52    67    50.00000  109.50000
   51    49    50    35.00000  109.50000
   51    54    55    80.00000  123.72100
   51    54    61    90.00000  111.29400
   51    56    57    35.00000  120.00000
   51    56    58    35.00000  120.00000
   61    47    48    35.00000  109.50000
   61    47    49    50.00000  109.50000
   61    54    55    83.00000  123.40000
   56    51    54    65.00000  118.96000
   58    56    57    35.00000  117.00000
   52    49    50    37.50000  110.70000
   52    49    51    70.00000  112.02700
   52    59    60    35.00000  117.00000
   52    59    62    70.00000  124.00000
   52    67    63    83.00000  116.90000
   59    52    53    35.00000  109.50000
   59    62    63    65.00000  118.96000
   59    62    65    55.00000  125.06700
   62    59    60    35.00000  120.00000
   62    63    64    80.00000  123.72100
   62    63    67    90.00000  111.29400
   62    65    66    40.00000  112.45000
   62    65    68    60.00000  120.58800
   62    65    70    85.00000  114.23300
   67    52    53    35.00000  109.50000
   67    52    59    85.00000  110.90400
   67    63    64    83.00000  123.40000
   65    62    63    65.00000  114.68000
   65    68    69    37.50000  117.20000
   65    68    40    60.00000  120.94000
   65    68    70    15.00000   60.43100
   65    70    68    15.00000   59.14900
   68    65    66    37.50000  117.20000
   68    40    41    50.00000  109.50000
   68    40    42    45.00000  109.38400
   40    33    37    58.35000  112.70000
   40    68    69    40.00000  115.04500
   42    40    41    45.00000  125.66300
   70    65    66    50.00000  114.27700
   70    65    68    15.00000   60.43100
   70    68    69    50.00000  114.27700
   70    68    40    80.00000  116.47100
   43    33    37    58.35000  112.70000
   43    33    40    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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    39   0.15000  1.0 3.0
   29    33    37    47   0.44750  1.0 1.0
   29    33    37    47  -0.17800 -1.0 2.0
   29    33    37    47   0.20200  1.0 3.0
   29    33    40    68   0.44750  1.0 1.0
   29    33    40    68  -0.17800 -1.0 2.0
   29    33    40    68   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    46   0.15000  1.0 3.0
   33    37    47    48   0.15000  1.0 3.0
   33    37    47    49   0.56750  1.0 1.0
   33    37    47    49  -0.07550 -1.0 2.0
   33    37    47    49   0.20000  1.0 3.0
   33    37    47    61   0.62750  1.0 1.0
   33    37    47    61  -0.30950 -1.0 2.0
   33    37    47    61   0.27300  1.0 3.0
   37    33    40    68   0.47050  1.0 1.0
   37    33    40    68   0.03900 -1.0 2.0
   37    33    40    68   0.20100  1.0 3.0
   37    33    40    41   0.62750  1.0 1.0
   37    33    40    41  -0.30950 -1.0 2.0
   37    33    40    41   0.27300  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    46   0.15000  1.0 3.0
   37    47    49    50   0.15000  1.0 3.0
   37    47    49    51   0.34400  1.0 1.0
   37    47    49    51   0.09450 -1.0 2.0
   37    47    49    51   0.11100  1.0 3.0
   37    47    49    52   0.56750  1.0 1.0
   37    47    49    52  -0.07550 -1.0 2.0
   37    47    49    52   0.20000  1.0 3.0
   37    47    61    54  -0.25900  1.0 1.0
   37    47    61    54  -0.47000 -1.0 2.0
   37    47    61    54   0.11750  1.0 3.0
   38    37    47    48   0.15000  1.0 3.0
   38    37    47    49   0.15000  1.0 3.0
   38    37    47    61   0.23400  1.0 3.0
   39    37    47    48   0.15000  1.0 3.0
   39    37    47    49   0.15000  1.0 3.0
   39    37    47    61   0.23400  1.0 3.0
   47    49   -51    54   0.09700  1.0 1.0
   47    49   -51    54   0.15600 -1.0 2.0
   47    49   -51    54  -0.50800  1.0 3.0
   47    49    51    56   0.09850  1.0 1.0
   47    49    51    56   0.15250 -1.0 2.0
   47    49    51    56  -0.50650  1.0 3.0
   47    49    52    53   0.15000  1.0 3.0
   47    49    52    59   0.34400  1.0 1.0
   47    49    52    59   0.09450 -1.0 2.0
   47    49    52    59   0.11100  1.0 3.0
   47    49    52    67   0.62750  1.0 1.0
   47    49    52    67  -0.30950 -1.0 2.0
   47    49    52    67   0.27300  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    52   0.15000  1.0 3.0
   48    47    61    54   0.08050  1.0 3.0
   49    47   -61    54  -0.25900  1.0 1.0
   49    47   -61    54  -0.47000 -1.0 2.0
   49    47   -61    54   0.11750  1.0 3.0
   49    51    54    55  -0.64400  1.0 1.0
   49    51    54    55   0.26850 -1.0 2.0
   49    51   -54    61  -0.15000  1.0 1.0
   49    51   -54    61   0.89550 -1.0 2.0
   49    51   -54    61  -0.06900  1.0 3.0
   49    51    56    57   7.00000 -1.0 2.0
   49    51    56    58   7.00000 -1.0 2.0
   49    52    59    60   0.00000  1.0 1.0
   49    52    59    62   0.09850  1.0 1.0
   49    52    59    62   0.15250 -1.0 2.0
   49    52    59    62  -0.50650  1.0 3.0
   49    52    67    63  -0.25900  1.0 1.0
   49    52    67    63  -0.47000 -1.0 2.0
   49    52    67    63   0.11750  1.0 3.0
   50    49    51    54   0.15000  1.0 3.0
   50    49    51    56   0.00000  1.0 1.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    59   0.15000  1.0 3.0
   50    49    52    67   0.23400  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    59   0.31000  1.0 1.0
   51    49    52    59   0.14700 -1.0 2.0
   51    49    52    59   0.07550  1.0 3.0
   51    49    52    67   0.61850  1.0 1.0
   51    49    52    67  -0.22750 -1.0 2.0
   51    49    52    67   0.15300  1.0 3.0
   51    54   -61    47   2.00000 -1.0 2.0
   54    51    56    57   7.00000 -1.0 2.0
   54    51    56    58   7.00000 -1.0 2.0
   55    54    61    47   3.00000 -1.0 2.0
   61    47    49    50   0.23400  1.0 3.0
   61    47   -49    51   0.61850  1.0 1.0
   61    47   -49    51  -0.22750 -1.0 2.0
   61    47   -49    51   0.15300  1.0 3.0
   61    47    49    52   0.62750  1.0 1.0
   61    47    49    52  -0.30950 -1.0 2.0
   61    47    49    52   0.27300  1.0 3.0
   56    51    54    55   1.00000 -1.0 2.0
   56    51    54    61  -0.56150  1.0 1.0
   56    51    54    61   2.19150 -1.0 2.0
   52    49    51    54   0.09700  1.0 1.0
   52    49    51    54   0.15600 -1.0 2.0
   52    49    51    54  -0.50800  1.0 3.0
   52    49    51    56   0.09850  1.0 1.0
   52    49    51    56   0.15250 -1.0 2.0
   52    49    51    56  -0.50650  1.0 3.0
   52    59   -62    63   7.00000 -1.0 2.0
   52    59    62    65   7.00000 -1.0 2.0
   53    52    59    60   0.33100  1.0 3.0
   53    52    59    62   0.00000  1.0 1.0
   53    52    67    63   0.08050  1.0 3.0
   59    52   -67    63  -0.82050  1.0 1.0
   59    52   -67    63   0.00600 -1.0 2.0
   59    52   -67    63   0.04400  1.0 3.0
   59    62    63    64   1.00000 -1.0 2.0
   59    62   -63    67  -0.56150  1.0 1.0
   59    62   -63    67   2.19150 -1.0 2.0
   59    62    65    66   0.00000  1.0 1.0
   59    62    65    68   0.09850  1.0 1.0
   59    62    65    68   0.15250 -1.0 2.0
   59    62    65    68  -0.50650  1.0 3.0
   59    62    65    70   0.39000  1.0 1.0
   59    62    65    70  -0.05800 -1.0 2.0
   59    62    65    70  -0.55150  1.0 3.0
   60    59    62    63   7.00000 -1.0 2.0
   60    59    62    65   7.00000 -1.0 2.0
   62    63   -67    52   2.00000 -1.0 2.0
   62    65    68    69   0.15000  1.0 3.0
   62    65    68    40   0.34400  1.0 1.0
   62    65    68    40   0.09450 -1.0 2.0
   62    65    68    40   0.11100  1.0 3.0
   62    65   -68    70   0.61850  1.0 1.0
   62    65   -68    70  -0.22750 -1.0 2.0
   62    65   -68    70   0.15300  1.0 3.0
   62    65   -70    68  -0.77900  1.0 1.0
   62    65   -70    68  -0.36900 -1.0 2.0
   62    65   -70    68   0.40400  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    68   0.09700  1.0 1.0
   63    62    65    68   0.15600 -1.0 2.0
   63    62    65    68  -0.50800  1.0 3.0
   63    62    65    70   0.09700  1.0 1.0
   63    62    65    70   0.15600 -1.0 2.0
   63    62    65    70  -0.50800  1.0 3.0
   64    63    67    52   3.00000 -1.0 2.0
   67    52    59    60   0.00000  1.0 1.0
   67    52   -59    62   0.39000  1.0 1.0
   67    52   -59    62  -0.05800 -1.0 2.0
   67    52   -59    62  -0.55150  1.0 3.0
   65    62    63    64  -0.64400  1.0 1.0
   65    62    63    64   0.26850 -1.0 2.0
   65    62    63    67  -0.15000  1.0 1.0
   65    62    63    67   0.89550 -1.0 2.0
   65    62    63    67  -0.06900  1.0 3.0
   65    68    40    33   0.07850  1.0 1.0
   65    68    40    33  -0.03950 -1.0 2.0
   65    68    40    33   0.67350  1.0 3.0
   65    68    40    41  -0.26800  1.0 1.0
   65    68    40    41   0.69150 -1.0 2.0
   65    68    40    41  -0.48750  1.0 3.0
   65    68    40    42   0.15000  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    40   0.15000  1.0 3.0
   66    65   -68    70   0.23400  1.0 3.0
   66    65   -70    68   0.36800  1.0 3.0
   69    68    40    33   0.15000  1.0 3.0
   69    68    40    41   0.23400  1.0 3.0
   69    68    40    42   0.15000  1.0 3.0
   69    68   -70    65   0.36800  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    47   0.56750  1.0 1.0
   40    33    37    47  -0.07550 -1.0 2.0
   40    33    37    47   0.20000  1.0 3.0
   40    33    43    44   0.15000  1.0 3.0
   40    33    43    45   0.15000  1.0 3.0
   40    33    43    46   0.15000  1.0 3.0
   40    68   -70    65   0.06250  1.0 1.0
   40    68   -70    65  -0.01100 -1.0 2.0
   40    68   -70    65   0.28050  1.0 3.0
   70    65   -68    69   0.23400  1.0 3.0
   70    65   -68    40   0.02550  1.0 1.0
   70    65   -68    40  -0.02600 -1.0 2.0
   70    65   -68    40   1.20400  1.0 3.0
   70    68    40    33   0.02550  1.0 1.0
   70    68    40    33  -0.02600 -1.0 2.0
   70    68    40    33   1.20400  1.0 3.0
   70    68    40    41   1.11900  1.0 1.0
   70    68    40    41  -1.16350 -1.0 2.0
   70    68    40    41  -0.34150  1.0 3.0
   70    68    40    42   0.23400  1.0 3.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    39   0.15000  1.0 3.0
   43    33    37    47   0.56750  1.0 1.0
   43    33    37    47  -0.07550 -1.0 2.0
   43    33    37    47   0.20000  1.0 3.0
   43    33    40    68   0.47050  1.0 1.0
   43    33    40    68   0.03900 -1.0 2.0
   43    33    40    68   0.20100  1.0 3.0
   43    33    40    41   0.62750  1.0 1.0
   43    33    40    41  -0.30950 -1.0 2.0
   43    33    40    41   0.27300  1.0 3.0
   43    33    40    42   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
   49    54    51    56   1.10000 -1.0 2.0
   51    61    54    55  10.50000 -1.0 2.0
   57    58    56    51   1.10000 -1.0 2.0
   52    60    59    62   1.10000 -1.0 2.0
   63    65    62    59   1.10000 -1.0 2.0
   62    67    63    64  10.50000 -1.0 2.0
END
