* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    141    226     421
    1     0 S   NP   _N1_     1    28.69919    95.05031   -22.28420
    2     1 S   H    _HN1     2     1.02975    83.83480    28.23632
    3     1 S   H    _H1_     3     1.02819    31.13157   166.76858
    4     1 S   H    _H2_     4     1.02776    96.86981   -79.50970
    5     1 S   CT   _CA1     5     1.50170   140.18232   142.75786
    6     5 S   HC   _HA1     6     1.09584   105.18472    72.14351
    7     5 S   CO3  _C1_     7     1.53771   112.47710   -47.81387
    8     7 S   O2Z  _O11     8     1.26345   115.03566   -41.19133
    9     7 S   O2Z  _O12     9     1.26261   114.91628   137.85405
   10     5 S   CT   _CB1    10     1.53062   107.29366  -170.16509
   11    10 S   HC   HB11    11     1.09818   109.03575   -52.22477
   12    10 S   HC   HB12    12     1.09825   110.43819    64.15397
   13    10 S   CT   _CG1    13     1.53010   112.91045  -173.55485
   14    13 S   HC   HG11    14     1.09597   110.23500   -65.82598
   15    13 S   HC   HG12    15     1.09640   110.18690    53.40753
   16    13 S   C    _CD1    16     1.51813   112.20362   173.36653
   17    16 S   O    _OE1    17     1.22716   123.18443   -11.27767
   18    16 S   N    _N2_    18     1.38627   111.82195   169.92924
   19    18 S   H    _HN2    19     1.01567   119.09472     1.53672
   20    18 S   CT1  _CA2    20     1.46082   123.24587  -179.86294
   21    20 S   HC   _HA2    21     1.09602   109.38153    -2.55642
   22    20 S   C    _C2_    22     1.53507   108.81701  -117.91650
   23    22 S   O    _O2_    23     1.23053   122.06862  -146.89330
   24    20 S   CT   _CB2    32     1.53347   111.59937   119.69792
   25    24 S   HC   HB21    33     1.09656   109.66506    61.42508
   26    24 S   HC   HB22    34     1.09575   110.90460   178.76981
   27    22 S   N    _N3_    24     1.38463   113.63014    40.53394
   28    27 S   H    _HN3    25     1.01504   118.96435    -0.61389
   29    24 S   S    _SG2    35     1.82787   114.67010   -58.49759
   30    27 S   CT   _CA3    26     1.45444   123.47722   175.28109
   31    30 S   HC   HA31    27     1.09519   109.36555    23.12925
   32    30 S   HC   HA32    28     1.09502   107.12734   140.10573
   33    29 S   CT   _C18    36     1.82116    99.79373   -66.23065
   34    33 S   HC   _H20    37     1.09472   109.68000   -47.17827
   35    33 S   HC   _H21    38     1.09343   108.67367    70.13478
   36    30 S   CO3  _C3_    29     1.52882   112.86386  -100.42409
   37    36 S   O2Z  _O31    30     1.26414   115.25732   -49.93362
   38    36 S   O2Z  _O32    31     1.26330   115.09014   130.92774
   39    33 S   CM   _C17    39     1.49882   110.06204  -167.90371
   40    39 S   CMA  _C16    40     1.35286   128.25288  -109.77397
   41    40 S   OM   _O34    41     1.26264   128.21501     0.75511
   42    40 S   OS   _O33    42     1.42972   109.33618  -177.79531
   43    42 S   CT   _C14    43     1.43580   104.48713   -19.37417
   44    43 S   HC   _H6_    44     1.10105   106.02246   -84.21135
   45    43 S   CT   _C15    45     1.52777   111.92447   159.17620
   46    45 S   HC   _H18    46     1.09759   109.48020    44.14078
   47    45 S   HC   _H19    47     1.09869   106.95370   159.28175
   48    39 S   CT   _C13    63     1.49889   120.90620    74.53512
   49    48 S   HC   _H5_    64     1.09569   112.95802   -48.10389
   50    45 S   CT   _C5_    48     1.55014   115.60850   -80.11922
   51    50 S   CT   _C6_    49     1.55611   108.00791  -168.73778
   52    51 S   HC   _H10    50     1.09934   109.86095    50.52025
   53    51 S   HC   _H11    51     1.09819   110.46726   -64.78719
   54    50 S   CT   _C4_    70     1.54760   109.67599    73.06486
   55    54 S   HC   _H7_    71     1.09415   112.30537   179.45932
   56    54 S   HC   _H8_    72     1.09621   110.63495    59.68433
   57    54 S   HC   _H9_    73     1.09238   112.70591   -60.17199
   58    51 S   CT   _C7_    52     1.53357   113.60604   171.93369
   59    58 S   HC   _H3_    53     1.09571   110.46881    69.36110
   60    58 S   CT   _C8_    54     1.52876   111.68135   -53.13617
   61    60 S   HC   _H12    55     1.09823   109.90004   -69.00041
   62    60 S   HC   _H13    56     1.09742   109.13894   176.05122
   63    58 S   OH   _O35    68     1.42617   109.21268  -173.03013
   64    63 S   HO   _H22    69     0.97249   107.47082   -58.60670
   65    60 S   CM   _C9_    57     1.51001   111.27480    52.02234
   66    50 S   CT   _C11    58     1.56049   108.88633   -50.44237
   67    66 S   HC   _H4_    59     1.10171   107.59276   -57.19791
   68    65 S   CM   _C10    65     1.34252   120.63001   124.48591
   69    68 S   HC   _H14    66     1.08364   122.47013  -179.64946
   70    68 S   HC   _H15    67     1.08553   121.09767     0.14935
   71    66 S   CT   _C12    60     1.53789   111.18079    58.16301
   72    71 S   HC   _H16    61     1.09857   109.61280  -177.18541
   73    71 S   HC   _H17    62     1.09764   110.22349    66.94699
  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   6   5   4   3
  10   4   3   2   1   1  12   8   3   9  13   7  17   6   5   8
   4  18  17   7   6   8   3   2   1   9   6  11   5   4   2   1
   8   7   4   3   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    71    48    49  
   35    39    40    48  
   39    40    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    66    71    72    73    48    49  
   41    42    43    44    45    71    48    49  
   42    43    48  
   43    44    45    46    47    50    71    48    49  
   44    45    46    47    50    51    66    71    72    73    48    49    54  
   45    46    47    50    71    48    49  
   46    47    50    51    52    53    58    65    66    67    71    48    49    54    55    56    57  
   47    50    51    66    48    54  
   50    51    66    48    54  
   49    50    65    66    67    71    72    73  
   66    71    72    73  
   51    52    53    58    59    60    65    66    67    71    72    73    68    63    54    55    56    57  
   52    53    58    59    60    61    62    65    66    67    71    63    64    54    55    56    57  
   53    58    59    60    66    63    54  
   58    59    60    66    63    54  
   55    56    57    58    65    66    67    71  
   56    57    66  
   57    66  
   66  
   59    60    61    62    65    66    68    63    64  
   60    61    62    65    63    64  
   61    62    65    66    67    71    68    69    70    63    64  
   62    65    66    68    63  
   65    66    68    63  
   64    65  
    0  
   66    67    71    72    73    68    69    70  
   67    71    72    73    68    69    70  
   71    72    73    68  
   69    70    71  
   70  
    0  
   72    73  
   73  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    48   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    48   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   268.000  1.529
   50    51   268.000  1.529
   50    66   268.000  1.529
   50    54   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    58   268.000  1.529
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    63   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   317.000  1.510
   65    66   317.000  1.510
   65    68   549.000  1.340
   66    67   340.000  1.090
   66    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    48   268.000  1.529
   48    49   340.000  1.090
   68    69   340.000  1.080
   68    70   340.000  1.080
   63    64   553.000  0.945
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    48    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    48    43    70.00000  112.02700
   39    48    71    70.00000  112.02700
   39    48    49    35.00000  109.50000
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    48    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    47    37.50000  110.70000
   43    45    50    58.35000  112.70000
   43    48    71    58.35000  112.70000
   43    48    49    37.50000  110.70000
   45    43    44    37.50000  110.70000
   45    50    51    58.35000  112.70000
   45    50    66    58.35000  112.70000
   45    50    54    58.35000  112.70000
   47    45    46    33.00000  107.80000
   50    45    46    37.50000  110.70000
   50    45    47    37.50000  110.70000
   50    51    52    37.50000  110.70000
   50    51    53    37.50000  110.70000
   50    51    58    58.35000  112.70000
   50    66    65    70.00000  112.02700
   50    66    67    37.50000  110.70000
   50    66    71    58.35000  112.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    57    37.50000  110.70000
   51    58    59    37.50000  110.70000
   51    58    60    58.35000  112.70000
   51    58    63    50.00000  109.50000
   53    51    52    33.00000  107.80000
   58    51    52    37.50000  110.70000
   58    51    53    37.50000  110.70000
   58    60    61    37.50000  110.70000
   58    60    62    37.50000  110.70000
   58    60    65    70.00000  112.02700
   58    63    64    55.00000  108.50000
   60    58    59    37.50000  110.70000
   60    65    66    65.00000  117.92700
   60    65    68    70.00000  124.00000
   62    60    61    33.00000  107.80000
   65    60    61    35.00000  109.50000
   65    60    62    35.00000  109.50000
   65    66    67    35.00000  109.50000
   65    66    71    70.00000  112.02700
   65    68    69    35.00000  120.00000
   65    68    70    35.00000  120.00000
   66    50    51    58.35000  112.70000
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    48    58.35000  112.70000
   71    66    67    37.50000  110.70000
   71    48    49    37.50000  110.70000
   73    71    72    33.00000  107.80000
   48    39    40    70.00000  124.00000
   48    43    44    37.50000  110.70000
   48    43    45    58.35000  112.70000
   48    71    72    37.50000  110.70000
   48    71    73    37.50000  110.70000
   68    65    66    70.00000  124.00000
   70    68    69    35.00000  117.00000
   63    58    59    35.00000  109.50000
   63    58    60    50.00000  109.50000
   54    50    51    58.35000  112.70000
   54    50    66    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    48   0.30250  1.0 1.0
   29    33    39    48  -0.14950 -1.0 2.0
   29    33    39    48   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    48    43   0.46850  1.0 1.0
   33    39    48    43   0.08550 -1.0 2.0
   33    39    48    43   0.09800  1.0 3.0
   33    39    48    71   0.46850  1.0 1.0
   33    39    48    71   0.08550 -1.0 2.0
   33    39    48    71   0.09800  1.0 3.0
   33    39    48    49   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    48   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    48   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   40    39   -48    43   0.09850  1.0 1.0
   40    39   -48    43   0.15250 -1.0 2.0
   40    39   -48    43  -0.50650  1.0 3.0
   40    39    48    71   0.09850  1.0 1.0
   40    39    48    71   0.15250 -1.0 2.0
   40    39    48    71  -0.50650  1.0 3.0
   40    39    48    49   0.00000  1.0 1.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45  -0.46850  1.0 1.0
   40    42    43    45   0.09300 -1.0 2.0
   40    42    43    45  -0.12850  1.0 3.0
   40    42   -43    48  -0.46850  1.0 1.0
   40    42   -43    48   0.09300 -1.0 2.0
   40    42   -43    48  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    47   0.23400  1.0 3.0
   42    43    45    50   0.62750  1.0 1.0
   42    43    45    50  -0.30950 -1.0 2.0
   42    43    45    50   0.27300  1.0 3.0
   42    43   -48    39   0.61850  1.0 1.0
   42    43   -48    39  -0.22750 -1.0 2.0
   42    43   -48    39   0.15300  1.0 3.0
   42    43    48    71   0.62750  1.0 1.0
   42    43    48    71  -0.30950 -1.0 2.0
   42    43    48    71   0.27300  1.0 3.0
   42    43    48    49   0.23400  1.0 3.0
   43    45    50    51   0.56750  1.0 1.0
   43    45    50    51  -0.07550 -1.0 2.0
   43    45    50    51   0.20000  1.0 3.0
   43    45    50    66   0.56750  1.0 1.0
   43    45    50    66  -0.07550 -1.0 2.0
   43    45    50    66   0.20000  1.0 3.0
   43    45    50    54   0.56750  1.0 1.0
   43    45    50    54  -0.07550 -1.0 2.0
   43    45    50    54   0.20000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    47   0.15000  1.0 3.0
   44    43    45    50   0.15000  1.0 3.0
   44    43    48    39   0.15000  1.0 3.0
   44    43    48    71   0.15000  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   45    43    48    39   0.34400  1.0 1.0
   45    43    48    39   0.09450 -1.0 2.0
   45    43    48    39   0.11100  1.0 3.0
   45    43    48    71   0.56750  1.0 1.0
   45    43    48    71  -0.07550 -1.0 2.0
   45    43    48    71   0.20000  1.0 3.0
   45    43    48    49   0.15000  1.0 3.0
   45    50    51    52   0.15000  1.0 3.0
   45    50    51    53   0.15000  1.0 3.0
   45    50    51    58   0.56750  1.0 1.0
   45    50    51    58  -0.07550 -1.0 2.0
   45    50    51    58   0.20000  1.0 3.0
   45    50    66    65   0.34400  1.0 1.0
   45    50    66    65   0.09450 -1.0 2.0
   45    50    66    65   0.11100  1.0 3.0
   45    50    66    67   0.15000  1.0 3.0
   45    50   -66    71   0.56750  1.0 1.0
   45    50   -66    71  -0.07550 -1.0 2.0
   45    50   -66    71   0.20000  1.0 3.0
   45    50    54    55   0.15000  1.0 3.0
   45    50    54    56   0.15000  1.0 3.0
   45    50    54    57   0.15000  1.0 3.0
   46    45    50    51   0.15000  1.0 3.0
   46    45    50    66   0.15000  1.0 3.0
   46    45    50    54   0.15000  1.0 3.0
   47    45    50    51   0.15000  1.0 3.0
   47    45    50    66   0.15000  1.0 3.0
   47    45    50    54   0.15000  1.0 3.0
   50    51    58    59   0.15000  1.0 3.0
   50    51    58    60   0.56750  1.0 1.0
   50    51    58    60  -0.07550 -1.0 2.0
   50    51    58    60   0.20000  1.0 3.0
   50    51    58    63   0.86500  1.0 1.0
   50    51    58    63  -0.17500 -1.0 2.0
   50    51    58    63   0.20800  1.0 3.0
   50    66    71    72   0.15000  1.0 3.0
   50    66    71    73   0.15000  1.0 3.0
   50    66    71    48   0.56750  1.0 1.0
   50    66    71    48  -0.07550 -1.0 2.0
   50    66    71    48   0.20000  1.0 3.0
   51    50    66    65   0.34400  1.0 1.0
   51    50    66    65   0.09450 -1.0 2.0
   51    50    66    65   0.11100  1.0 3.0
   51    50    66    67   0.15000  1.0 3.0
   51    50    66    71   0.56750  1.0 1.0
   51    50    66    71  -0.07550 -1.0 2.0
   51    50    66    71   0.20000  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    57   0.15000  1.0 3.0
   51    58    60    61   0.15000  1.0 3.0
   51    58    60    62   0.15000  1.0 3.0
   51    58   -60    65   0.34400  1.0 1.0
   51    58   -60    65   0.09450 -1.0 2.0
   51    58   -60    65   0.11100  1.0 3.0
   51    58    63    64  -0.11600  1.0 1.0
   51    58    63    64  -0.09450 -1.0 2.0
   51    58    63    64   0.21250  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    60   0.15000  1.0 3.0
   52    51    58    63   0.23400  1.0 3.0
   53    51    58    59   0.15000  1.0 3.0
   53    51    58    60   0.15000  1.0 3.0
   53    51    58    63   0.23400  1.0 3.0
   58    60    65    66   0.46850  1.0 1.0
   58    60    65    66   0.08550 -1.0 2.0
   58    60    65    66   0.09800  1.0 3.0
   58    60    65    68   0.09850  1.0 1.0
   58    60    65    68   0.15250 -1.0 2.0
   58    60    65    68  -0.50650  1.0 3.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    62   0.15000  1.0 3.0
   59    58    60    65   0.15000  1.0 3.0
   59    58    63    64   0.19450  1.0 3.0
   60    58    63    64  -0.11600  1.0 1.0
   60    58    63    64  -0.09450 -1.0 2.0
   60    58    63    64   0.21250  1.0 3.0
   60    65   -66    50   0.46850  1.0 1.0
   60    65   -66    50   0.08550 -1.0 2.0
   60    65   -66    50   0.09800  1.0 3.0
   60    65    66    67   0.34800  1.0 3.0
   60    65    66    71   0.46850  1.0 1.0
   60    65    66    71   0.08550 -1.0 2.0
   60    65    66    71   0.09800  1.0 3.0
   60    65    68    69   7.00000 -1.0 2.0
   60    65    68    70   7.00000 -1.0 2.0
   61    60    65    66   0.34800  1.0 3.0
   61    60    65    68   0.00000  1.0 1.0
   62    60    65    66   0.34800  1.0 3.0
   62    60    65    68   0.00000  1.0 1.0
   65    66    71    72   0.15000  1.0 3.0
   65    66    71    73   0.15000  1.0 3.0
   65    66    71    48   0.34400  1.0 1.0
   65    66    71    48   0.09450 -1.0 2.0
   65    66    71    48   0.11100  1.0 3.0
   66    50    51    52   0.15000  1.0 3.0
   66    50    51    53   0.15000  1.0 3.0
   66    50   -51    58   0.56750  1.0 1.0
   66    50   -51    58  -0.07550 -1.0 2.0
   66    50   -51    58   0.20000  1.0 3.0
   66    50    54    55   0.15000  1.0 3.0
   66    50    54    56   0.15000  1.0 3.0
   66    50    54    57   0.15000  1.0 3.0
   66    65    68    69   7.00000 -1.0 2.0
   66    65    68    70   7.00000 -1.0 2.0
   66    71    48    39   0.34400  1.0 1.0
   66    71    48    39   0.09450 -1.0 2.0
   66    71    48    39   0.11100  1.0 3.0
   66    71   -48    43   0.56750  1.0 1.0
   66    71   -48    43  -0.07550 -1.0 2.0
   66    71   -48    43   0.20000  1.0 3.0
   66    71    48    49   0.15000  1.0 3.0
   67    66    71    72   0.15000  1.0 3.0
   67    66    71    73   0.15000  1.0 3.0
   67    66    71    48   0.15000  1.0 3.0
   72    71    48    39   0.15000  1.0 3.0
   72    71    48    43   0.15000  1.0 3.0
   72    71    48    49   0.15000  1.0 3.0
   73    71    48    39   0.15000  1.0 3.0
   73    71    48    43   0.15000  1.0 3.0
   73    71    48    49   0.15000  1.0 3.0
   48    39    40    41   7.00000 -1.0 2.0
   48    39   -40    42   7.00000 -1.0 2.0
   48    43    45    46   0.15000  1.0 3.0
   48    43    45    47   0.15000  1.0 3.0
   48    43   -45    50   0.56750  1.0 1.0
   48    43   -45    50  -0.07550 -1.0 2.0
   48    43   -45    50   0.20000  1.0 3.0
   68    65    66    50   0.09850  1.0 1.0
   68    65    66    50   0.15250 -1.0 2.0
   68    65    66    50  -0.50650  1.0 3.0
   68    65    66    67   0.00000  1.0 1.0
   68    65    66    71   0.09850  1.0 1.0
   68    65    66    71   0.15250 -1.0 2.0
   68    65    66    71  -0.50650  1.0 3.0
   63    58    60    61   0.23400  1.0 3.0
   63    58    60    62   0.23400  1.0 3.0
   63    58    60    65   1.05650  1.0 1.0
   63    58    60    65   0.15600 -1.0 2.0
   63    58    60    65   0.53150  1.0 3.0
   54    50    51    52   0.15000  1.0 3.0
   54    50    51    53   0.15000  1.0 3.0
   54    50    51    58   0.56750  1.0 1.0
   54    50    51    58  -0.07550 -1.0 2.0
   54    50    51    58   0.20000  1.0 3.0
   54    50    66    65   0.34400  1.0 1.0
   54    50    66    65   0.09450 -1.0 2.0
   54    50    66    65   0.11100  1.0 3.0
   54    50    66    67   0.15000  1.0 3.0
   54    50    66    71   0.56750  1.0 1.0
   54    50    66    71  -0.07550 -1.0 2.0
   54    50    66    71   0.20000  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
   37    30    36    38  10.50000 -1.0 2.0
   33    48    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   60    66    65    68   1.10000 -1.0 2.0
   69    70    68    65   1.10000 -1.0 2.0
END
