* LIGAND DATABASE FILE (OPLS2005)
*
001      58    60    111    180     317
    1     0 S   NP   _N1_     1    28.75042    95.75804   -23.39515
    2     1 S   H    _HN1     2     1.02951    76.01894    13.03396
    3     1 S   H    _H1_     3     1.02828    34.36802   167.21513
    4     1 S   H    _H2_     4     1.02785   104.80539   -92.62764
    5     1 S   CT   _CA1     5     1.50111   137.16216   118.09797
    6     5 S   HC   _HA1     6     1.09573   105.20216    86.38059
    7     5 S   CO3  _C1_     7     1.53793   112.45405   -33.86588
    8     7 S   O2Z  _O11     8     1.26372   115.00776   -42.71482
    9     7 S   O2Z  _O12     9     1.26240   114.94737   136.42999
   10     5 S   CT   _CB1    10     1.53081   107.42222  -155.63271
   11    10 S   HC   HB11    11     1.09832   109.38582   -49.73958
   12    10 S   HC   HB12    12     1.09814   110.43936    66.87060
   13    10 S   CT   _CG1    13     1.52988   112.60106  -170.72159
   14    13 S   HC   HG11    14     1.09584   110.61655   -65.26935
   15    13 S   HC   HG12    15     1.09669   109.80324    53.96194
   16    13 S   C    _CD1    16     1.51799   112.24550   174.41882
   17    16 S   O    _OE1    17     1.22728   123.29681     6.12500
   18    16 S   N    _N2_    18     1.38654   111.65679  -173.98458
   19    18 S   H    _HN2    19     1.01582   118.93120     1.83248
   20    18 S   CT1  _CA2    20     1.46193   123.39220   177.72746
   21    20 S   HC   _HA2    21     1.09735   109.37042     2.09480
   22    20 S   C    _C2_    22     1.53538   108.61967  -113.40464
   23    22 S   O    _O2_    23     1.23058   122.27128  -147.95745
   24    20 S   CT   _CB2    32     1.53332   111.57758   124.09616
   25    24 S   HC   HB21    33     1.09593   110.07591    56.08073
   26    24 S   HC   HB22    34     1.09438   110.11972   175.08566
   27    22 S   N    _N3_    24     1.38323   113.70292    39.48754
   28    27 S   H    _HN3    25     1.01588   119.59122    -3.34954
   29    24 S   S    _SG2    35     1.82780   111.53619   -64.66655
   30    27 S   CT   _CA3    26     1.45289   123.20481   177.10572
   31    30 S   HC   HA31    27     1.09549   107.51066   -64.50553
   32    30 S   HC   HA32    28     1.09556   107.98181    51.93075
   33    29 S   CT   _C11    36     1.83297    99.39099   176.11970
   34    33 S   HC   _H3_    37     1.09302   108.39012   -44.23303
   35    30 S   CO3  _C3_    29     1.52958   114.08552   173.92678
   36    35 S   O2Z  _O31    30     1.26375   116.06736    -0.68728
   37    35 S   O2Z  _O32    31     1.26428   114.41241   179.37349
   38    33 S   CT   _C8_    38     1.52462   110.82267    79.50603
   39    38 S   HC   _H18    39     1.09219   114.20509   -34.69854
   40    38 S   HC   _H19    40     1.09514   110.84157  -158.90968
   41    38 S   CO4  _C7_    41     1.50535   103.22482    86.05499
   42    41 S   O    _O34    42     1.22003   125.95360  -163.05079
   43    41 S   OS   _O14    43     1.36863   109.09662    18.97889
   44    33 S   C4T  _C13    44     1.52523   110.64118  -168.84142
   45    44 S   C4T  _C10    45     1.56117   120.12904    46.73942
   46    45 S   HC   _H22    46     1.09644   114.55914    27.75914
   47    45 S   HC   _H23    47     1.09366   115.96409  -100.36496
   48    44 S   C4T  _C12    51     1.58232   116.46511   148.12242
   49    45 S   C4T  _C9_    48     1.53900    88.23916   142.77068
   50    49 S   HC   _H20    49     1.09676   113.74795    91.56908
   51    49 S   HC   _H21    50     1.09401   114.72500  -142.60688
   52    48 S   CM   _C5_    52     1.46970   117.05524    96.94499
   53    52 S   HC   _H17    53     1.08049   125.87737    49.06819
   54    52 S   CM   _C4_    54     1.33312   109.10811  -131.19206
   55    54 S   HC   _H16    55     1.07669   127.45199  -179.91377
   56    54 S   CO4  _C6_    56     1.47317   108.55384    -0.18023
   57    56 S   O    _O33    57     1.21756   125.51536   179.76761
   58    48 S   OS   _O13    58     1.44807   116.53065   -29.47288
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  15   8   2   1   1   8   5   4   5   2   8  12   8   5   4  10
   7   3   2   6   4   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    44    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    43    44    45    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    46    47    49    48    52    58  
   38    39    40    41    43    44    45    48  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    48  
   40    41    42    43    44  
   41    42    43    44  
   42    43    44    45    48  
   43    44  
   44    45    46    47    49    48    52    58  
   45    46    47    49    50    51    48    52    53    54    56    58  
   46    47    49    50    51    48    52    58  
   47    49    50    51    48  
   49    50    51    48  
   52    53    54    55    56    57    58    49    50    51  
   50    51    52    53    54    56    58  
   51    52    58  
   52    58  
   53    54    55    56    57    58  
   54    55    56    58  
   55    56    57    58  
   56    57    58  
   57    58  
   58  
    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   0.166300   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.302500   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.163700   1.9750   1.7500   0.005000000  -0.741685710
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.0000   0.1700  -0.302500   1.7660   1.5600   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    44   260.000  1.519
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   268.000  1.529
   44    48   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    48   268.000  1.529
   48    52   317.000  1.510
   48    58   320.000  1.410
   52    53   340.000  1.080
   52    54   549.000  1.340
   54    55   340.000  1.080
   54    56   320.000  1.462
   56    57   570.000  1.229
   56    58   214.000  1.327
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    44    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    44    43    50.00000  109.50000
   33    44    45    65.00000  119.52000
   33    44    48    65.00000  119.52000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    81.00000  111.40000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    50.00000  109.50000
   43    44    48    50.00000  109.50000
   44    33    34    45.00000  111.22300
   44    33    38    70.00000  112.98000
   44    45    46    37.50000  110.70000
   44    45    47    37.50000  110.70000
   44    45    49    63.00000   92.00000
   44    48    49    63.00000   92.00000
   44    48    52    70.00000  112.02700
   44    48    58    50.00000  109.50000
   45    49    50    37.50000  110.70000
   45    49    51    37.50000  110.70000
   45    49    48    63.00000   92.00000
   47    45    46    33.00000  107.80000
   49    45    46    37.50000  110.70000
   49    45    47    37.50000  110.70000
   49    48    52    70.00000  112.02700
   49    48    58    50.00000  109.50000
   51    49    50    33.00000  107.80000
   48    44    45    63.00000   92.00000
   48    49    50    37.50000  110.70000
   48    49    51    37.50000  110.70000
   48    52    53    35.00000  117.00000
   48    52    54    70.00000  124.00000
   48    58    56    83.00000  116.90000
   52    54    55    35.00000  120.00000
   52    54    56    65.00000  118.96000
   54    52    53    35.00000  120.00000
   54    56    57    80.00000  123.72100
   54    56    58    90.00000  111.29400
   56    54    55    40.00000  117.72500
   58    48    52    85.00000  110.90400
   58    56    57    83.00000  123.40000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    44   0.01700  1.0 1.0
   24    29    33    44  -0.23550 -1.0 2.0
   24    29    33    44   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  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
   29    33    44    43   0.56750  1.0 1.0
   29    33    44    43  -0.07550 -1.0 2.0
   29    33    44    43   0.20000  1.0 3.0
   29    33    44    45   0.44750  1.0 1.0
   29    33    44    45  -0.17800 -1.0 2.0
   29    33    44    45   0.20200  1.0 3.0
   29    33    44    48   0.44750  1.0 1.0
   29    33    44    48  -0.17800 -1.0 2.0
   29    33    44    48   0.20200  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38   -41    43   0.36750  1.0 3.0
   33    44    45    46   0.15000  1.0 3.0
   33    44    45    47   0.15000  1.0 3.0
   33    44    45    49  -0.70950  1.0 1.0
   33    44    45    49   0.38400 -1.0 2.0
   33    44   -48    49  -0.70950  1.0 1.0
   33    44   -48    49   0.38400 -1.0 2.0
   33    44    48    52   0.34400  1.0 1.0
   33    44    48    52   0.09450 -1.0 2.0
   33    44    48    52   0.11100  1.0 3.0
   33    44    48    58   0.62750  1.0 1.0
   33    44    48    58  -0.30950 -1.0 2.0
   33    44    48    58   0.27300  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    44    43   0.23400  1.0 3.0
   34    33    44    45   0.00000  1.0 1.0
   34    33    44    48   0.00000  1.0 1.0
   38    33   -44    43   0.62750  1.0 1.0
   38    33   -44    43  -0.30950 -1.0 2.0
   38    33   -44    43   0.27300  1.0 3.0
   38    33    44    45   0.04050  1.0 1.0
   38    33    44    45   0.63700 -1.0 2.0
   38    33    44    45   0.17650  1.0 3.0
   38    33    44    48   0.04050  1.0 1.0
   38    33    44    48   0.63700 -1.0 2.0
   38    33    44    48   0.17650  1.0 3.0
   38    41   -43    44   1.63150  1.0 1.0
   38    41   -43    44   2.92000 -1.0 2.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43   -44    33  -0.25900  1.0 1.0
   41    43   -44    33  -0.47000 -1.0 2.0
   41    43   -44    33   0.11750  1.0 3.0
   41    43    44    45  -0.25900  1.0 1.0
   41    43    44    45  -0.47000 -1.0 2.0
   41    43    44    45   0.11750  1.0 3.0
   41    43    44    48  -0.25900  1.0 1.0
   41    43    44    48  -0.47000 -1.0 2.0
   41    43    44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    45    46   0.15000  1.0 3.0
   43    44    45    47   0.15000  1.0 3.0
   43    44    45    49   0.62750  1.0 1.0
   43    44    45    49  -0.30950 -1.0 2.0
   43    44    45    49   0.27300  1.0 3.0
   43    44   -48    49   0.62750  1.0 1.0
   43    44   -48    49  -0.30950 -1.0 2.0
   43    44   -48    49   0.27300  1.0 3.0
   43    44    48    52   0.61850  1.0 1.0
   43    44    48    52  -0.22750 -1.0 2.0
   43    44    48    52   0.15300  1.0 3.0
   43    44    48    58   1.11900  1.0 1.0
   43    44    48    58  -1.16350 -1.0 2.0
   43    44    48    58  -0.34150  1.0 3.0
   44    33    38    39   0.15000  1.0 3.0
   44    33    38    40   0.15000  1.0 3.0
   44    33   -38    41  -0.95700  1.0 1.0
   44    33   -38    41  -0.18200 -1.0 2.0
   44    33   -38    41   0.29450  1.0 3.0
   44    45    49    50   0.15000  1.0 3.0
   44    45    49    51   0.15000  1.0 3.0
   44    45   -49    48   0.00000  1.0 1.0
   44    48    52    53   0.00000  1.0 1.0
   44    48    52    54   0.09850  1.0 1.0
   44    48    52    54   0.15250 -1.0 2.0
   44    48    52    54  -0.50650  1.0 3.0
   44    48    58    56  -0.25900  1.0 1.0
   44    48    58    56  -0.47000 -1.0 2.0
   44    48    58    56   0.11750  1.0 3.0
   45    44   -48    49   0.00000  1.0 1.0
   45    44    48    52   0.34400  1.0 1.0
   45    44    48    52   0.09450 -1.0 2.0
   45    44    48    52   0.11100  1.0 3.0
   45    44    48    58   0.62750  1.0 1.0
   45    44    48    58  -0.30950 -1.0 2.0
   45    44    48    58   0.27300  1.0 3.0
   45    49   -48    44   0.00000  1.0 1.0
   45    49   -48    52   0.34400  1.0 1.0
   45    49   -48    52   0.09450 -1.0 2.0
   45    49   -48    52   0.11100  1.0 3.0
   45    49   -48    58   0.62750  1.0 1.0
   45    49   -48    58  -0.30950 -1.0 2.0
   45    49   -48    58   0.27300  1.0 3.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    51   0.15000  1.0 3.0
   46    45    49    48   0.15000  1.0 3.0
   47    45    49    50   0.15000  1.0 3.0
   47    45    49    51   0.15000  1.0 3.0
   47    45    49    48   0.15000  1.0 3.0
   49    48    52    53   0.00000  1.0 1.0
   49    48    52    54   0.09850  1.0 1.0
   49    48    52    54   0.15250 -1.0 2.0
   49    48    52    54  -0.50650  1.0 3.0
   49    48    58    56  -0.25900  1.0 1.0
   49    48    58    56  -0.47000 -1.0 2.0
   49    48    58    56   0.11750  1.0 3.0
   50    49   -48    44   0.15000  1.0 3.0
   50    49    48    52   0.15000  1.0 3.0
   50    49    48    58   0.15000  1.0 3.0
   51    49   -48    44   0.15000  1.0 3.0
   51    49    48    52   0.15000  1.0 3.0
   51    49    48    58   0.15000  1.0 3.0
   48    44   -45    46   0.15000  1.0 3.0
   48    44   -45    47   0.15000  1.0 3.0
   48    44   -45    49   0.00000  1.0 1.0
   48    52    54    55   7.00000 -1.0 2.0
   48    52   -54    56   7.00000 -1.0 2.0
   52    48   -58    56  -0.82050  1.0 1.0
   52    48   -58    56   0.00600 -1.0 2.0
   52    48   -58    56   0.04400  1.0 3.0
   52    54    56    57   1.00000 -1.0 2.0
   52    54   -56    58  -0.56150  1.0 1.0
   52    54   -56    58   2.19150 -1.0 2.0
   53    52    54    55   7.00000 -1.0 2.0
   53    52    54    56   7.00000 -1.0 2.0
   54    56   -58    48   2.00000 -1.0 2.0
   55    54    56    57   0.00000  1.0 1.0
   55    54    56    58   1.63100 -1.0 2.0
   57    56    58    48   3.00000 -1.0 2.0
   58    48    52    53   0.00000  1.0 1.0
   58    48   -52    54   0.39000  1.0 1.0
   58    48   -52    54  -0.05800 -1.0 2.0
   58    48   -52    54  -0.55150  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
   37    30    35    36  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   48    53    52    54   1.10000 -1.0 2.0
   56    55    54    52   1.10000 -1.0 2.0
   54    58    56    57  10.50000 -1.0 2.0
END
