* LIGAND DATABASE FILE (OPLS2005)
*
001      63    65    114    185     336
    1     0 S   NP   _N1_     1    28.11542    96.37386   -22.55876
    2     1 S   H    _HN1     2     1.02836    32.84370   136.25844
    3     1 S   H    _H1_     3     1.02777   102.30878  -119.76965
    4     1 S   H    _H2_     4     1.02957    78.70121   -13.23399
    5     1 S   CT   _CA1     5     1.50153   138.11730    94.80087
    6     5 S   HC   _HA1     6     1.09572   105.20851    81.87805
    7     5 S   CO3  _C1_     7     1.53775   112.23489   -38.34080
    8     7 S   O2Z  _O11     8     1.26374   114.99226   -45.60387
    9     7 S   O2Z  _O12     9     1.26210   114.92374   133.29232
   10     5 S   CT   _CB1    10     1.53068   107.40007  -160.19678
   11    10 S   HC   HB11    11     1.09835   109.37348   -49.68000
   12    10 S   HC   HB12    12     1.09815   110.41738    66.86187
   13    10 S   CT   _CG1    13     1.53059   112.71616  -170.67629
   14    13 S   HC   HG11    14     1.09585   110.59963   -64.36572
   15    13 S   HC   HG12    15     1.09653   109.87246    54.89821
   16    13 S   C    _CD1    16     1.51849   112.07475   175.32764
   17    16 S   O    _OE1    17     1.22782   123.19161     4.72198
   18    16 S   N    _N2_    18     1.38532   111.92472  -175.45640
   19    18 S   H    _HN2    19     1.01591   119.26929     3.63803
   20    18 S   CT1  _CA2    20     1.45908   122.66722   178.42554
   21    20 S   HC   _HA2    21     1.09722   108.76809    28.09648
   22    20 S   C    _C2_    22     1.52907   106.69007   -89.18672
   23    22 S   O    _O2_    23     1.23009   122.89176   -31.54245
   24    20 S   CT   _CB2    32     1.53311   112.39743   151.29852
   25    24 S   HC   HB21    33     1.09396   109.40282    56.34415
   26    24 S   HC   HB22    34     1.09375   109.50366   175.21472
   27    22 S   N    _N3_    24     1.38482   112.76913   150.85455
   28    27 S   H    _HN3    25     1.01662   120.38817    -0.68586
   29    24 S   S    _SG2    35     1.82722   110.67932   -64.65956
   30    27 S   CT   _CA3    26     1.45376   122.32891   178.77379
   31    30 S   HC   HA31    27     1.09566   107.34551   -66.31586
   32    30 S   HC   HA32    28     1.09574   108.05678    49.97942
   33    29 S   CT   _C9_    36     1.86732   102.45197   175.30907
   34    30 S   CO3  _C3_    29     1.52867   114.53244   172.07828
   35    34 S   O2Z  _O31    30     1.26303   116.15567    -1.76059
   36    34 S   O2Z  _O32    31     1.26464   114.37958   178.37924
   37    33 S   CD   _C6_    37     1.49611   107.37903   -59.88168
   38    33 S   CT   _C10    56     1.54126   109.01723  -179.43837
   39    38 S   HC   _H3_    57     1.10087   109.38954    51.94995
   40    37 S   CM   _C5_    38     1.47582   121.20040   111.54518
   41    38 S   CO3  _C17    58     1.55081   116.97858   170.51759
   42    41 S   O2Z  _O40    59     1.26158   116.70669    20.12017
   43    41 S   O2Z  _O39    60     1.26688   114.46706  -158.98427
   44    40 S   CM   _C4_    39     1.43732   102.72210   179.01563
   45    44 S   HC   _H4_    40     1.07711   126.19637  -179.92867
   46    40 S   CMA  _C15    46     1.34199   127.08044    -2.95360
   47    46 S   OM   _O35    47     1.26366   130.26869  -178.03159
   48    44 S   CM   _C7_    41     1.34253   105.94786     0.98397
   49    46 S   CO4  _C14    48     1.51692   114.55553    -0.23239
   50    49 S   O    _O36    49     1.22835   122.88024  -165.10066
   51    37 S   NI   _N4_    42     1.31120   126.44020   -68.24588
   52    48 S   CO3  _C8_    43     1.53913   123.93253   179.18603
   53    52 S   O2Z  _O34    44     1.26555   115.48528  -178.86134
   54    52 S   O2Z  _O33    45     1.26579   115.87083     0.92450
   55    33 S   CD   _C13    50     1.50840   108.58539    63.03992
   56    55 S   NI   _N5_    51     1.29770   125.38981    82.92497
   57    56 S   CM   _C12    52     1.37496   119.12057     1.02565
   58    57 S   CT   _C11    53     1.50874   122.16820    16.67156
   59    58 S   HC   _H5_    54     1.09714   108.88952   127.65311
   60    58 S   HC   _H6_    55     1.09751   108.27795  -117.58395
   61    57 S   CMA  _C16    61     1.53893   118.70001  -165.64646
   62    61 S   OM   _O38    62     1.26472   120.99441   151.28713
   63    61 S   OM   _O37    63     1.26449   121.20888   -28.68701
  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  11   5   4   3
  19   2   1   1  15  14   8  10   7   2   1   9   4   7   3   4
   4   2   4   2   1   1   4   7   6   5   2   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    55    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    51    49    55    56    58    38    39    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    44    48    51    46    49    50    55    56    57    58    59    60    38    39    41    42    43  
   35    36  
   36  
    0  
   40    44    45    48    51    52    46    47    49    55    56    58    38    39    41  
   39    41    42    43    61    40    49    51    55    56    57    58    59    60  
   41    42    43    55    57    58    59    60  
   44    45    48    51    52    46    47    49    50    55  
   42    43    55    57    58    59    60  
   43    58  
   58  
   45    48    51    52    53    54    46    47    49  
   48    51    52    46  
   47    49    50    55    56    48    51  
   49    50    55  
   51    52    53    54  
   50    55    56    57  
   55    56  
   52    53    54    55  
   53    54  
   54  
    0  
   56    57    58    61  
   57    58    59    60    61    62    63  
   58    59    60    61    62    63  
   59    60    61    62    63  
   60    61  
   61  
   62    63  
   63  
    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   0.239700   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   3.7500   0.1050   0.356900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5500   0.0760  -0.604500   2.0020   1.7750   0.023028004  -0.852763146
   41   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   47   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   48   3.5500   0.0760  -0.187800   2.0020   1.7750   0.023028004  -0.852763146
   49   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   52   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   55   3.7500   0.1050   0.353600   2.0020   1.7750   0.023028004  -0.852763146
   56   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   57   3.5500   0.0760  -0.478700   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   63   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   270.000  1.508
   33    55   270.000  1.508
   33    38   268.000  1.529
   37    40   320.000  1.464
   37    51   500.000  1.261
   40    44   380.000  1.444
   40    46   465.000  1.376
   44    45   340.000  1.080
   44    48   549.000  1.340
   48    51   405.000  1.380
   48    52   230.000  1.545
   52    53   656.000  1.250
   52    54   656.000  1.250
   46    47   745.000  1.250
   46    49   270.000  1.476
   49    50   570.000  1.229
   49    55   275.000  1.494
   55    56   500.000  1.261
   56    57   405.000  1.380
   57    58   317.000  1.510
   57    61   465.000  1.376
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    38   268.000  1.529
   38    39   340.000  1.090
   38    41   317.000  1.522
   41    42   656.000  1.250
   41    43   656.000  1.250
   61    62   745.000  1.250
   61    63   745.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  114.43000
   29    33    55    75.00000  114.43000
   29    33    38    75.00000  111.63000
   33    37    40    65.00000  117.24000
   33    37    51    65.00000  122.10100
   33    55    49    60.00000  116.68000
   33    55    56    65.00000  122.10100
   33    38    58    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    41    70.00000  109.69300
   37    40    44    60.00000  120.31500
   37    40    46    60.00000  120.31500
   37    51    48    75.00000  115.77100
   40    44    45    35.00000  120.00000
   40    44    48    70.00000  123.01800
   40    46    47    65.00000  137.10300
   40    46    49    65.00000  114.61000
   44    48    51    70.00000  120.83400
   44    48    52    55.00000  124.75400
   48    44    45    35.00000  120.00000
   48    52    53    85.00000  113.83300
   48    52    54    85.00000  113.83300
   51    37    40    70.00000  121.86000
   52    48    51    70.00000  120.00000
   54    52    53    80.00000  126.00000
   46    40    44    70.00000  117.34000
   46    49    50    80.00000  120.81000
   46    49    55    65.00000  118.65900
   49    46    47    85.00000  116.28000
   49    55    56    60.00000  126.98800
   55    33    37    70.00000  110.56000
   55    49    50    75.00000  122.07900
   55    56    57    75.00000  115.77100
   56    57    58    65.00000  119.96000
   56    57    61    70.00000  120.83400
   57    58    59    35.00000  109.50000
   57    58    60    35.00000  109.50000
   57    58    38    70.00000  112.02700
   57    61    62    65.00000  137.10300
   57    61    63    65.00000  137.10300
   58    38    39    37.50000  110.70000
   58    38    41    70.00000  109.69300
   60    58    59    33.00000  107.80000
   38    33    37    70.00000  111.76100
   38    33    55    70.00000  111.76100
   38    58    59    37.50000  110.70000
   38    58    60    37.50000  110.70000
   38    41    42    70.00000  117.00000
   38    41    43    70.00000  117.00000
   41    38    39    35.00000  109.50000
   43    41    42    80.00000  126.00000
   61    57    58    70.00000  124.00000
   63    61    62    65.00000  121.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    55  -0.62250  1.0 1.0
   24    29    33    55  -0.38450 -1.0 2.0
   24    29    33    55   0.81900  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    37    51   0.00000  1.0 1.0
   29    33    55    49   0.00000  1.0 1.0
   29    33    55    56   0.00000  1.0 1.0
   29    33    38    58   0.44750  1.0 1.0
   29    33    38    58  -0.17800 -1.0 2.0
   29    33    38    58   0.20200  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   33    37    40    44   0.69550 -1.0 2.0
   33    37    40    46   0.69550 -1.0 2.0
   33    37    51    48   6.00000 -1.0 2.0
   33    55    56    57   6.00000 -1.0 2.0
   33    38    41    42   0.41150 -1.0 2.0
   33    38    41    43   0.41150 -1.0 2.0
   37    33    55    49   0.00000  1.0 1.0
   37    33    55    56   0.00000  1.0 1.0
   37    33    38    58   0.34400  1.0 1.0
   37    33    38    58   0.09450 -1.0 2.0
   37    33    38    58   0.11100  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    41  -0.98800  1.0 1.0
   37    33    38    41   0.48800 -1.0 2.0
   37    33    38    41   0.76800  1.0 3.0
   37    40    44    45  -0.18600  1.0 3.0
   37    40   -44    48   0.28850  1.0 1.0
   37    40   -44    48   2.61350 -1.0 2.0
   37    40   -44    48   0.78400  1.0 3.0
   37    40    46    47   7.00000 -1.0 2.0
   37    40   -46    49   7.00000 -1.0 2.0
   40    37   -51    48   6.00000 -1.0 2.0
   40    44   -48    51   7.00000 -1.0 2.0
   40    44    48    52   7.00000 -1.0 2.0
   40    46    49    50   1.00000 -1.0 2.0
   40    46    49    55  -1.18350  1.0 1.0
   40    46    49    55   1.45950 -1.0 2.0
   44    40    46    47   7.00000 -1.0 2.0
   44    40    46    49   7.00000 -1.0 2.0
   44    48   -51    37   1.00000 -1.0 2.0
   44    48    52    53  -0.04000 -1.0 2.0
   44    48    52    53  -0.29050  1.0 3.0
   44    48    52    54  -0.04000 -1.0 2.0
   44    48    52    54  -0.29050  1.0 3.0
   45    44    48    51   7.00000 -1.0 2.0
   45    44    48    52   7.00000 -1.0 2.0
   51    37   -40    44   1.09650  1.0 1.0
   51    37   -40    44   0.48950 -1.0 2.0
   51    37   -40    44   0.49400  1.0 3.0
   51    37    40    46   1.09650  1.0 1.0
   51    37    40    46   0.48950 -1.0 2.0
   51    37    40    46   0.49400  1.0 3.0
   51    48    52    53   1.68800 -1.0 2.0
   51    48    52    54   1.68800 -1.0 2.0
   52    48    51    37   1.00000 -1.0 2.0
   46    40    44    45  -0.18600  1.0 3.0
   46    40    44    48   0.28850  1.0 1.0
   46    40    44    48   2.61350 -1.0 2.0
   46    40    44    48   0.78400  1.0 3.0
   46    49   -55    33   1.50000 -1.0 2.0
   46    49    55    56   1.50000 -1.0 2.0
   47    46    49    50  -0.11900  1.0 1.0
   47    46    49    50   0.76850 -1.0 2.0
   47    46    49    50   0.14100  1.0 3.0
   47    46    49    55   1.50000 -1.0 2.0
   49    55    56    57   6.00000 -1.0 2.0
   50    49    55    33   1.00000 -1.0 2.0
   50    49    55    56   1.00000 -1.0 2.0
   55    33   -37    40  -0.28300  1.0 1.0
   55    33   -37    40   0.26700 -1.0 2.0
   55    33   -37    40  -0.63300  1.0 3.0
   55    33    37    51   0.00000  1.0 1.0
   55    33    38    58   0.34400  1.0 1.0
   55    33    38    58   0.09450 -1.0 2.0
   55    33    38    58   0.11100  1.0 3.0
   55    33    38    39   0.15000  1.0 3.0
   55    33    38    41  -0.98800  1.0 1.0
   55    33    38    41   0.48800 -1.0 2.0
   55    33    38    41   0.76800  1.0 3.0
   55    56   -57    58   1.00000 -1.0 2.0
   55    56    57    61   1.00000 -1.0 2.0
   56    57    58    59   0.00000  1.0 1.0
   56    57    58    60   0.00000  1.0 1.0
   56    57    58    38   0.09700  1.0 1.0
   56    57    58    38   0.15600 -1.0 2.0
   56    57    58    38  -0.50800  1.0 3.0
   56    57    61    62   7.00000 -1.0 2.0
   56    57    61    63   7.00000 -1.0 2.0
   57    58   -38    33   0.34400  1.0 1.0
   57    58   -38    33   0.09450 -1.0 2.0
   57    58   -38    33   0.11100  1.0 3.0
   57    58    38    39   0.15000  1.0 3.0
   57    58    38    41  -0.98800  1.0 1.0
   57    58    38    41   0.48800 -1.0 2.0
   57    58    38    41   0.76800  1.0 3.0
   58    57    61    62   7.00000 -1.0 2.0
   58    57    61    63   7.00000 -1.0 2.0
   58    38    41    42   0.41150 -1.0 2.0
   58    38    41    43   0.41150 -1.0 2.0
   59    58    38    33   0.15000  1.0 3.0
   59    58    38    39   0.15000  1.0 3.0
   59    58    38    41  -0.11250  1.0 3.0
   60    58    38    33   0.15000  1.0 3.0
   60    58    38    39   0.15000  1.0 3.0
   60    58    38    41  -0.11250  1.0 3.0
   38    33    37    40   0.09850  1.0 1.0
   38    33    37    40   0.15250 -1.0 2.0
   38    33    37    40  -0.50650  1.0 3.0
   38    33    37    51   0.00000  1.0 1.0
   38    33    55    49   0.00000  1.0 1.0
   38    33   -55    56   0.00000  1.0 1.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   61    57    58    59   0.00000  1.0 1.0
   61    57    58    60   0.00000  1.0 1.0
   61    57    58    38   0.09850  1.0 1.0
   61    57    58    38   0.15250 -1.0 2.0
   61    57    58    38  -0.50650  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    40    37    51  10.50000 -1.0 2.0
   37    44    40    46   1.10000 -1.0 2.0
   40    45    44    48   1.10000 -1.0 2.0
   52    51    48    44   1.10000 -1.0 2.0
   53    48    52    54  10.50000 -1.0 2.0
   49    47    46    40   1.10000 -1.0 2.0
   46    55    49    50  10.50000 -1.0 2.0
   33    49    55    56  10.50000 -1.0 2.0
   56    58    57    61   1.10000 -1.0 2.0
   42    38    41    43  10.50000 -1.0 2.0
   62    63    61    57   1.10000 -1.0 2.0
END
