* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    142    232     430
    1     0 S   NP   _N1_     1    28.57169    94.32024   -23.19892
    2     1 S   H    _HN1     2     1.02836    24.86369   173.43523
    3     1 S   H    _H1_     3     1.02778   103.26765   -82.54301
    4     1 S   H    _H2_     4     1.02959    86.02470    25.36610
    5     1 S   CT   _CA1     5     1.50127   132.40877   139.52619
    6     5 S   HC   _HA1     6     1.09576   105.21135    73.68581
    7     5 S   CO3  _C1_     7     1.53771   112.40386   -46.47893
    8     7 S   O2Z  _O11     8     1.26358   114.99873   -43.43879
    9     7 S   O2Z  _O12     9     1.26239   114.91798   135.68767
   10     5 S   CT   _CB1    10     1.53092   107.41965  -168.43557
   11    10 S   HC   HB11    11     1.09826   109.26883   -50.92514
   12    10 S   HC   HB12    12     1.09817   110.43947    65.60531
   13    10 S   CT   _CG1    13     1.53018   112.70788  -172.03267
   14    13 S   HC   HG11    14     1.09594   110.46687   -65.04853
   15    13 S   HC   HG12    15     1.09658   109.94646    54.17740
   16    13 S   C    _CD1    16     1.51828   112.31252   174.48399
   17    16 S   O    _OE1    17     1.22724   123.26544    -0.25101
   18    16 S   N    _N2_    18     1.38649   111.67387   179.98022
   19    18 S   H    _HN2    19     1.01582   119.03507     0.95285
   20    18 S   CT1  _CA2    20     1.46146   123.33745   178.91610
   21    20 S   HC   _HA2    21     1.09748   109.37005    -4.36211
   22    20 S   C    _C2_    22     1.53518   108.60804  -119.78588
   23    22 S   O    _O2_    23     1.23041   122.13844  -146.67072
   24    20 S   CT   _CB2    32     1.53552   111.77671   117.57785
   25    24 S   HC   HB21    33     1.09521   109.62895    55.19786
   26    24 S   HC   HB22    34     1.08946   109.52603   173.04402
   27    22 S   N    _N3_    24     1.38471   113.55163    40.84316
   28    27 S   H    _HN3    25     1.01500   118.98376    -0.71327
   29    24 S   S    _SG2    35     1.83124   111.30867   -64.83624
   30    27 S   CT   _CA3    26     1.45446   123.43880   174.86275
   31    30 S   HC   HA31    27     1.09521   109.28504    24.37786
   32    30 S   HC   HA32    28     1.09497   107.14076   141.39568
   33    29 S   CT   _C15    36     1.93706   103.73142  -150.52529
   34    30 S   CO3  _C3_    29     1.52912   112.95589   -99.10667
   35    34 S   O2Z  _O31    30     1.26411   115.32493   -46.79036
   36    34 S   O2Z  _O32    31     1.26341   115.03636   134.07150
   37    33 S   CT   _C10    37     1.54880   108.59845    87.07602
   38    37 S   HC   _H27    38     1.09213   111.20022  -178.04656
   39    33 S   CT   _C13    58     1.56034   110.01761   -41.45690
   40    39 S   HC   _H30    59     1.09648   108.59645    77.19498
   41    37 S   CO4  _C7_    39     1.52024   101.23071    70.76996
   42    41 S   O    _O17    40     1.22044   126.80482  -159.93570
   43    39 S   OH   _O19    60     1.44299   108.04715   -37.52629
   44    43 S   HO   _H39    61     0.97331   107.72712   156.65064
   45    37 S   CT   _C18    70     1.52361   118.72805   -52.47042
   46    45 S   HC   _H37    71     1.09379   112.69801    73.37577
   47    45 S   HC   _H38    72     1.09230   110.96047   -50.54038
   48    41 S   OS   _O18    41     1.37319   109.13333    20.88960
   49    45 S   OH   _O20    73     1.42706   108.90252  -167.36907
   50    49 S   HO   _H40    74     0.97269   107.02653  -178.16752
   51    33 S   CT   _C12    42     1.55498   103.70460  -167.67318
   52    51 S   HC   _H29    43     1.09626   112.24606    45.06418
   53    51 S   CT   _C8_    44     1.54469   120.99610   176.33521
   54    53 S   HC   _H24    45     1.10080   107.20250   160.19561
   55    53 S   HC   _H25    46     1.09428   109.79860    50.86847
   56    53 S   CT   _C11    47     1.53850   119.54330   -76.28692
   57    56 S   HC   _H28    48     1.09880   107.47341   152.32586
   58    56 S   CT   _C9_    49     1.53167   114.06748    31.15705
   59    58 S   HC   _H26    50     1.09949   106.37645   -75.91273
   60    56 S   CT   _C16    66     1.54021   109.00716   -92.98234
   61    60 S   HC   _H31    67     1.09538   111.20249    63.61213
   62    60 S   HC   _H32    68     1.09566   110.78146   -56.39344
   63    60 S   HC   _H33    69     1.09388   111.73714  -175.44947
   64    58 S   CM   _C5_    51     1.50890   115.49297   168.64383
   65    64 S   HC   _H23    52     1.08194   123.20906    39.50616
   66    64 S   CM   _C4_    53     1.33408   114.41817  -146.50839
   67    66 S   HC   _H22    54     1.07515   128.88212  -175.46750
   68    66 S   CO4  _C6_    55     1.47048   105.30730     4.28432
   69    68 S   O    _O16    56     1.22236   122.71808  -170.25773
   70    58 S   CT   _C14    57     1.55255   116.09545    47.15019
   71    70 S   CT   _C17    62     1.53963   116.41782    40.87559
   72    71 S   HC   _H34    63     1.08585   114.37040   -58.94297
   73    71 S   HC   _H35    64     1.09683   110.42085   179.81869
   74    71 S   HC   _H36    65     1.09730   111.82140    61.42487
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  23   2   1   1  16   9  21   7   9   3   6   1   6   3   2   6
   1   1   9   4  12   5   4  13   8  16   7   5   2   1   1   7
   4   5   3   6   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    48    51    52    53    70    39    40    43    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    48    51    52    53    54    55    56    58    68    70    39    40    43    44    71    45    46    47    49  
   35    36  
   36  
    0  
   38    41    42    48    51    52    53    70    39    40    43    45    46    47    49    50  
   41    42    48    51    39    45    46    47    49  
   40    43    44    71    72    73    74    45    41    48    51    52    53    56    58    59    64    66    68    69    70  
   43    44    71    51    58    68    70  
   42    48    51    52    53    45    46    47    49  
   48    51    45  
   44    71    51    58    68    70  
   70  
   46    47    49    50    48    51  
   47    49    50  
   49    50  
   51    52    53    54    55    56  
   50  
    0  
   52    53    54    55    56    57    58    70    60  
   53    54    55    56  
   54    55    56    57    58    59    64    70    60    61    62    63  
   55    56    57    58    60  
   56    57    58    60  
   57    58    59    64    65    66    68    70    71    60    61    62    63  
   58    59    64    70    60    61    62    63  
   59    64    65    66    67    68    69    70    71    72    73    74    60    61    62    63  
   64    65    66    68    70    71    60  
   61    62    63    64    70  
   62    63  
   63  
    0  
   65    66    67    68    69    70    71  
   66    67    68    70  
   67    68    69    70    71  
   68    69    70  
   69    70    71    72    73    74  
   70    71  
   71    72    73    74  
   72    73    74  
   73    74  
   74  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660   0.145000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5000   0.0660  -0.180000   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
   74   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    51   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    41   317.000  1.522
   37    45   268.000  1.529
   41    42   570.000  1.229
   41    48   214.000  1.327
   48    51   320.000  1.410
   51    52   340.000  1.090
   51    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   268.000  1.529
   56    57   340.000  1.090
   56    58   268.000  1.529
   56    60   268.000  1.529
   58    59   340.000  1.090
   58    64   317.000  1.510
   58    70   268.000  1.529
   64    65   340.000  1.080
   64    66   549.000  1.340
   66    67   340.000  1.080
   66    68   320.000  1.462
   68    69   570.000  1.229
   68    70   317.000  1.522
   70    39   268.000  1.529
   70    71   268.000  1.529
   39    40   340.000  1.090
   39    43   320.000  1.410
   43    44   553.000  0.945
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    49   320.000  1.410
   49    50   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    51    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    41    63.00000  111.10000
   33    37    45    58.35000  112.70000
   33    51    48    50.00000  109.50000
   33    51    52    37.50000  110.70000
   33    51    53    58.35000  112.70000
   33    39    70    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    50.00000  109.50000
   37    41    42    80.00000  120.40000
   37    41    48    81.00000  111.40000
   37    45    46    37.50000  110.70000
   37    45    47    37.50000  110.70000
   37    45    49    50.00000  109.50000
   41    37    38    35.00000  109.50000
   41    48    51    83.00000  116.90000
   48    41    42    83.00000  123.40000
   48    51    52    35.00000  109.50000
   48    51    53    50.00000  109.50000
   51    33    37    58.35000  112.70000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    56    58.35000  112.70000
   53    51    52    37.50000  110.70000
   53    56    57    37.50000  110.70000
   53    56    58    58.35000  112.70000
   53    56    60    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    37.50000  110.70000
   56    53    55    37.50000  110.70000
   56    58    59    37.50000  110.70000
   56    58    64    70.00000  112.02700
   56    58    70    58.35000  112.70000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    63    37.50000  110.70000
   58    56    57    37.50000  110.70000
   58    64    65    35.00000  117.00000
   58    64    66    70.00000  124.00000
   58    70    68    63.00000  111.10000
   58    70    39    58.35000  112.70000
   58    70    71    58.35000  112.70000
   64    58    59    35.00000  109.50000
   64    66    67    35.00000  120.00000
   64    66    68    65.00000  118.96000
   66    64    65    35.00000  120.00000
   66    68    69    80.00000  123.72100
   66    68    70    65.00000  118.62400
   68    66    67    40.00000  117.72500
   68    70    39    63.00000  111.10000
   68    70    71    63.00000  111.10000
   70    58    59    37.50000  110.70000
   70    58    64    70.00000  112.02700
   70    68    69    80.00000  120.40000
   70    39    40    37.50000  110.70000
   70    39    43    50.00000  109.50000
   70    71    72    37.50000  110.70000
   70    71    73    37.50000  110.70000
   70    71    74    37.50000  110.70000
   39    33    37    58.35000  112.70000
   39    33    51    58.35000  112.70000
   39    43    44    55.00000  108.50000
   43    39    40    35.00000  109.50000
   71    70    39    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   60    56    57    37.50000  110.70000
   60    56    58    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   45    37    38    37.50000  110.70000
   45    37    41    63.00000  111.10000
   45    49    50    55.00000  108.50000
   47    45    46    33.00000  107.80000
   49    45    46    35.00000  109.50000
   49    45    47    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    41   0.56750  1.0 1.0
   29    33    37    41  -0.07550 -1.0 2.0
   29    33    37    41   0.20000  1.0 3.0
   29    33    37    45   0.44750  1.0 1.0
   29    33    37    45  -0.17800 -1.0 2.0
   29    33    37    45   0.20200  1.0 3.0
   29    33    51    48   0.56750  1.0 1.0
   29    33    51    48  -0.07550 -1.0 2.0
   29    33    51    48   0.20000  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    53   0.44750  1.0 1.0
   29    33    51    53  -0.17800 -1.0 2.0
   29    33    51    53   0.20200  1.0 3.0
   29    33    39    70   0.44750  1.0 1.0
   29    33    39    70  -0.17800 -1.0 2.0
   29    33    39    70   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    37    41    42   0.30150 -1.0 2.0
   33    37   -41    48   0.36750  1.0 3.0
   33    37    45    46   0.15000  1.0 3.0
   33    37    45    47   0.15000  1.0 3.0
   33    37    45    49   0.86500  1.0 1.0
   33    37    45    49  -0.17500 -1.0 2.0
   33    37    45    49   0.20800  1.0 3.0
   33    51    53    54   0.15000  1.0 3.0
   33    51    53    55   0.15000  1.0 3.0
   33    51    53    56   0.56750  1.0 1.0
   33    51    53    56  -0.07550 -1.0 2.0
   33    51    53    56   0.20000  1.0 3.0
   33    39    43    44  -0.11600  1.0 1.0
   33    39    43    44  -0.09450 -1.0 2.0
   33    39    43    44   0.21250  1.0 3.0
   37    33   -51    48   0.62750  1.0 1.0
   37    33   -51    48  -0.30950 -1.0 2.0
   37    33   -51    48   0.27300  1.0 3.0
   37    33    51    52   0.15000  1.0 3.0
   37    33    51    53   0.56750  1.0 1.0
   37    33    51    53  -0.07550 -1.0 2.0
   37    33    51    53   0.20000  1.0 3.0
   37    33    39    70   0.56750  1.0 1.0
   37    33    39    70  -0.07550 -1.0 2.0
   37    33    39    70   0.20000  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    43   0.86500  1.0 1.0
   37    33    39    43  -0.17500 -1.0 2.0
   37    33    39    43   0.20800  1.0 3.0
   37    41   -48    51   1.63150  1.0 1.0
   37    41   -48    51   2.92000 -1.0 2.0
   37    45    49    50  -0.11600  1.0 1.0
   37    45    49    50  -0.09450 -1.0 2.0
   37    45    49    50   0.21250  1.0 3.0
   38    37    41    42   0.00000  1.0 1.0
   38    37    41    48   0.00000  1.0 1.0
   38    37    45    46   0.15000  1.0 3.0
   38    37    45    47   0.15000  1.0 3.0
   38    37    45    49   0.23400  1.0 3.0
   41    37    45    46  -0.11250  1.0 3.0
   41    37    45    47  -0.11250  1.0 3.0
   41    37    45    49  -0.09450  1.0 1.0
   41    37    45    49  -1.12950 -1.0 2.0
   41    37    45    49   0.54000  1.0 3.0
   41    48   -51    33  -0.25900  1.0 1.0
   41    48   -51    33  -0.47000 -1.0 2.0
   41    48   -51    33   0.11750  1.0 3.0
   41    48    51    52   0.08050  1.0 3.0
   41    48    51    53  -0.25900  1.0 1.0
   41    48    51    53  -0.47000 -1.0 2.0
   41    48    51    53   0.11750  1.0 3.0
   42    41    48    51   3.00000 -1.0 2.0
   48    51    53    54   0.23400  1.0 3.0
   48    51    53    55   0.23400  1.0 3.0
   48    51    53    56   0.62750  1.0 1.0
   48    51    53    56  -0.30950 -1.0 2.0
   48    51    53    56   0.27300  1.0 3.0
   51    33    37    38   0.15000  1.0 3.0
   51    33   -37    41  -0.95700  1.0 1.0
   51    33   -37    41  -0.18200 -1.0 2.0
   51    33   -37    41   0.29450  1.0 3.0
   51    33    37    45   0.56750  1.0 1.0
   51    33    37    45  -0.07550 -1.0 2.0
   51    33    37    45   0.20000  1.0 3.0
   51    33    39    70   0.56750  1.0 1.0
   51    33    39    70  -0.07550 -1.0 2.0
   51    33    39    70   0.20000  1.0 3.0
   51    33    39    40   0.15000  1.0 3.0
   51    33    39    43   0.86500  1.0 1.0
   51    33    39    43  -0.17500 -1.0 2.0
   51    33    39    43   0.20800  1.0 3.0
   51    53    56    57   0.15000  1.0 3.0
   51    53    56    58   0.56750  1.0 1.0
   51    53    56    58  -0.07550 -1.0 2.0
   51    53    56    58   0.20000  1.0 3.0
   51    53    56    60   0.56750  1.0 1.0
   51    53    56    60  -0.07550 -1.0 2.0
   51    53    56    60   0.20000  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    56   0.15000  1.0 3.0
   53    56    58    59   0.15000  1.0 3.0
   53    56    58    64   0.34400  1.0 1.0
   53    56    58    64   0.09450 -1.0 2.0
   53    56    58    64   0.11100  1.0 3.0
   53    56    58    70   0.56750  1.0 1.0
   53    56    58    70  -0.07550 -1.0 2.0
   53    56    58    70   0.20000  1.0 3.0
   53    56    60    61   0.15000  1.0 3.0
   53    56    60    62   0.15000  1.0 3.0
   53    56    60    63   0.15000  1.0 3.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   54    53    56    60   0.15000  1.0 3.0
   55    53    56    57   0.15000  1.0 3.0
   55    53    56    58   0.15000  1.0 3.0
   55    53    56    60   0.15000  1.0 3.0
   56    58    64    65   0.00000  1.0 1.0
   56    58    64    66   0.09850  1.0 1.0
   56    58    64    66   0.15250 -1.0 2.0
   56    58    64    66  -0.50650  1.0 3.0
   56    58    70    68  -0.95700  1.0 1.0
   56    58    70    68  -0.18200 -1.0 2.0
   56    58    70    68   0.29450  1.0 3.0
   56    58    70    39   0.56750  1.0 1.0
   56    58    70    39  -0.07550 -1.0 2.0
   56    58    70    39   0.20000  1.0 3.0
   56    58    70    71   0.56750  1.0 1.0
   56    58    70    71  -0.07550 -1.0 2.0
   56    58    70    71   0.20000  1.0 3.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    64   0.15000  1.0 3.0
   57    56    58    70   0.15000  1.0 3.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    62   0.15000  1.0 3.0
   57    56    60    63   0.15000  1.0 3.0
   58    56    60    61   0.15000  1.0 3.0
   58    56    60    62   0.15000  1.0 3.0
   58    56    60    63   0.15000  1.0 3.0
   58    64    66    67   7.00000 -1.0 2.0
   58    64   -66    68   7.00000 -1.0 2.0
   58    70    39    33   0.56750  1.0 1.0
   58    70    39    33  -0.07550 -1.0 2.0
   58    70    39    33   0.20000  1.0 3.0
   58    70    39    40   0.15000  1.0 3.0
   58    70    39    43   0.86500  1.0 1.0
   58    70    39    43  -0.17500 -1.0 2.0
   58    70    39    43   0.20800  1.0 3.0
   58    70    71    72   0.15000  1.0 3.0
   58    70    71    73   0.15000  1.0 3.0
   58    70    71    74   0.15000  1.0 3.0
   59    58    64    65   0.33100  1.0 3.0
   59    58    64    66   0.00000  1.0 1.0
   59    58    70    68  -0.11250  1.0 3.0
   59    58    70    39   0.15000  1.0 3.0
   59    58    70    71   0.15000  1.0 3.0
   64    58   -70    68  -0.98800  1.0 1.0
   64    58   -70    68   0.48800 -1.0 2.0
   64    58   -70    68   0.76800  1.0 3.0
   64    58    70    39   0.34400  1.0 1.0
   64    58    70    39   0.09450 -1.0 2.0
   64    58    70    39   0.11100  1.0 3.0
   64    58    70    71   0.34400  1.0 1.0
   64    58    70    71   0.09450 -1.0 2.0
   64    58    70    71   0.11100  1.0 3.0
   64    66    68    69   1.00000 -1.0 2.0
   64    66   -68    70  -0.33500  1.0 1.0
   64    66   -68    70   1.06600 -1.0 2.0
   64    66   -68    70  -0.14000  1.0 3.0
   65    64    66    67   7.00000 -1.0 2.0
   65    64    66    68   7.00000 -1.0 2.0
   66    68   -70    58   0.65300  1.0 1.0
   66    68   -70    58  -0.03850 -1.0 2.0
   66    68   -70    58   0.33900  1.0 3.0
   66    68    70    39   0.65300  1.0 1.0
   66    68    70    39  -0.03850 -1.0 2.0
   66    68    70    39   0.33900  1.0 3.0
   66    68    70    71   0.65300  1.0 1.0
   66    68    70    71  -0.03850 -1.0 2.0
   66    68    70    71   0.33900  1.0 3.0
   67    66    68    69   0.00000  1.0 1.0
   67    66    68    70   0.04550  1.0 1.0
   67    66    68    70   0.83000 -1.0 2.0
   67    66    68    70  -0.04000  1.0 3.0
   68    70    39    33  -0.95700  1.0 1.0
   68    70    39    33  -0.18200 -1.0 2.0
   68    70    39    33   0.29450  1.0 3.0
   68    70    39    40  -0.11250  1.0 3.0
   68    70    39    43  -0.09450  1.0 1.0
   68    70    39    43  -1.12950 -1.0 2.0
   68    70    39    43   0.54000  1.0 3.0
   68    70    71    72  -0.11250  1.0 3.0
   68    70    71    73  -0.11250  1.0 3.0
   68    70    71    74  -0.11250  1.0 3.0
   69    68    70    58   0.30150 -1.0 2.0
   69    68    70    39   0.30150 -1.0 2.0
   69    68    70    71   0.30150 -1.0 2.0
   70    58    64    65   0.00000  1.0 1.0
   70    58   -64    66   0.09850  1.0 1.0
   70    58   -64    66   0.15250 -1.0 2.0
   70    58   -64    66  -0.50650  1.0 3.0
   70    39    43    44  -0.11600  1.0 1.0
   70    39    43    44  -0.09450 -1.0 2.0
   70    39    43    44   0.21250  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    41  -0.95700  1.0 1.0
   39    33    37    41  -0.18200 -1.0 2.0
   39    33    37    41   0.29450  1.0 3.0
   39    33    37    45   0.56750  1.0 1.0
   39    33    37    45  -0.07550 -1.0 2.0
   39    33    37    45   0.20000  1.0 3.0
   39    33    51    48   0.62750  1.0 1.0
   39    33    51    48  -0.30950 -1.0 2.0
   39    33    51    48   0.27300  1.0 3.0
   39    33    51    52   0.15000  1.0 3.0
   39    33    51    53   0.56750  1.0 1.0
   39    33    51    53  -0.07550 -1.0 2.0
   39    33    51    53   0.20000  1.0 3.0
   39    70    71    72   0.15000  1.0 3.0
   39    70    71    73   0.15000  1.0 3.0
   39    70    71    74   0.15000  1.0 3.0
   40    39    43    44   0.19450  1.0 3.0
   71    70    39    33   0.56750  1.0 1.0
   71    70    39    33  -0.07550 -1.0 2.0
   71    70    39    33   0.20000  1.0 3.0
   71    70    39    40   0.15000  1.0 3.0
   71    70    39    43   0.86500  1.0 1.0
   71    70    39    43  -0.17500 -1.0 2.0
   71    70    39    43   0.20800  1.0 3.0
   60    56    58    59   0.15000  1.0 3.0
   60    56    58    64   0.34400  1.0 1.0
   60    56    58    64   0.09450 -1.0 2.0
   60    56    58    64   0.11100  1.0 3.0
   60    56    58    70   0.56750  1.0 1.0
   60    56    58    70  -0.07550 -1.0 2.0
   60    56    58    70   0.20000  1.0 3.0
   45    37    41    42   0.30150 -1.0 2.0
   45    37    41    48   0.36750  1.0 3.0
   46    45    49    50   0.19450  1.0 3.0
   47    45    49    50   0.19450  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   37    48    41    42  10.50000 -1.0 2.0
   58    65    64    66   1.10000 -1.0 2.0
   68    67    66    64   1.10000 -1.0 2.0
   66    70    68    69  10.50000 -1.0 2.0
END
