* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    136    215     390
    1     0 S   NP   _N1_     1    29.49474    91.70262   -18.10320
    2     1 S   H    _HN1     2     1.03022    39.39502    92.54303
    3     1 S   H    _H1_     3     1.02696    73.20731   -57.91351
    4     1 S   H    _H2_     4     1.03384   135.40868    40.48714
    5     1 S   CT   _CA1     5     1.50049   108.44186  -166.84271
    6     5 S   HC   _HA1     6     1.09679   104.70470    22.95740
    7     5 S   CO3  _C1_     7     1.54481   111.31063   -93.45839
    8     7 S   O2Z  _O11     8     1.26120   116.59502  -113.26074
    9     7 S   O2Z  _O12     9     1.26550   113.79778    66.17733
   10     5 S   CT   _CB1    10     1.53009   107.08449   139.12954
   11    10 S   HC   HB11    11     1.09849   110.20511   -42.59874
   12    10 S   HC   HB12    12     1.09782   110.18019    73.74359
   13    10 S   CT   _CG1    13     1.53054   112.13211  -162.92885
   14    13 S   HC   HG11    14     1.09525   111.75179   -52.12231
   15    13 S   HC   HG12    15     1.09604   110.50726    66.83699
   16    13 S   C    _CD1    16     1.51288   110.02587  -173.40397
   17    16 S   O    _OE1    17     1.22817   121.92097   -95.26424
   18    16 S   N    _N2_    18     1.38286   112.58880    83.01090
   19    18 S   H    _HN2    19     1.01624   119.07885     5.62462
   20    18 S   CT1  _CA2    20     1.45734   122.99753  -177.28286
   21    20 S   HC   _HA2    21     1.09739   108.65376    27.32642
   22    20 S   C    _C2_    22     1.52878   107.58040   -90.09176
   23    22 S   O    _O2_    23     1.22943   122.99676   -26.33645
   24    20 S   CT   _CB2    32     1.53293   111.98599   150.06364
   25    24 S   HC   HB21    33     1.09487   109.65419    58.14430
   26    24 S   HC   HB22    34     1.09508   110.27499   177.08805
   27    22 S   N    _N3_    24     1.38644   112.35064   156.59605
   28    27 S   H    _HN3    25     1.01504   119.70345     0.78285
   29    24 S   S    _SG2    35     1.82468   111.01276   -62.34345
   30    27 S   CT   _CA3    26     1.45423   122.72456   175.20086
   31    30 S   HC   HA31    27     1.09546   108.82368    32.70937
   32    30 S   HC   HA32    28     1.09477   107.20899   149.81287
   33    29 S   CT   _C16    36     1.84855   100.25433  -172.38815
   34    33 S   HC   _H6_    37     1.09674   106.03400    54.68258
   35    30 S   CO3  _C3_    29     1.53069   113.66627   -90.21255
   36    35 S   O2Z  _O31    30     1.26370   115.86238   -31.03337
   37    35 S   O2Z  _O32    31     1.26421   114.66438   149.85170
   38    33 S   CT   _C17    38     1.54304   113.01348   -63.55484
   39    38 S   HC   _H14    39     1.09396   111.01117    60.68867
   40    38 S   HC   _H15    40     1.09658   109.44465   177.13755
   41    38 S   S    _S2_    41     1.82533   114.73455   -62.07232
   42    41 S   C4T  _C13    42     1.83520    97.90908   -55.14017
   43    42 S   HC   _H4_    43     1.09428   114.37292   -83.48255
   44    42 S   C4T  _C12    44     1.55560   115.33021   140.21499
   45    44 S   HC   _H3_    45     1.09815   113.75237   149.50650
   46    42 S   N4   _N7_    48     1.46407   110.16197    44.60483
   47    44 S   C4   _C14    46     1.54859    84.87571   -99.37376
   48    47 S   O    _O36    47     1.20889   136.34121   167.42143
   49    33 S   CT1  _C15    49     1.54390   111.75956   172.25463
   50    49 S   HC   _H5_    50     1.10142   105.86219  -177.49087
   51    44 S   N    _N6_    54     1.47647   118.35522    16.86844
   52    51 S   H    _H13    55     1.01914   119.48304  -101.96441
   53    49 S   CO3  _C18    51     1.54447   118.43728   -64.09419
   54    53 S   O2Z  _O38    52     1.26540   115.18470   171.01333
   55    53 S   O2Z  _O37    53     1.26324   115.95158   -11.78318
   56    51 S   C    _C11    56     1.38481   122.06647    81.53802
   57    56 S   O    _O35    57     1.22779   125.34547    -3.22913
   58    56 S   CM   _C7_    58     1.49554   113.50701   178.46049
   59    58 S   C5B  _C5_    59     1.43793   118.59036   110.75848
   60    58 S   CM   _C8_    68     1.34948   117.75299   -70.94378
   61    60 S   HC   _H10    69     1.09066   118.21430  -179.65622
   62    59 S   C5A  _C4_    60     1.37989   125.84408    -6.47678
   63    62 S   HA   _H7_    61     1.08027   129.51253     0.74125
   64    60 S   CT   _C9_    70     1.50308   128.33758    -0.96225
   65    64 S   HC   _H11    71     1.09387   113.55937    -9.07127
   66    64 S   HC   _H12    72     1.09614   109.08444  -127.75068
   67    62 S   SA   _S1_    62     1.71278   109.93262  -178.90639
   68    64 S   CO3  _C10    73     1.52376   107.65917   112.58237
   69    68 S   O2Z  _O34    74     1.26515   115.41594   -78.09556
   70    68 S   O2Z  _O33    75     1.26331   115.57157   101.36465
   71    67 S   CRA  _C6_    63     1.72354    89.91244    -0.25793
   72    59 S   N5B  _N4_    64     1.38553   119.39213   173.81170
   73    71 S   NE   _N5_    65     1.34663   120.36950   179.77100
   74    73 S   H    _H8_    66     1.01408   121.24650  -178.90443
   75    73 S   H    _H9_    67     1.01358   122.04272    -0.62432
  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
  13   8   2   1   1  10   4   3   8  12   6  10   6   8   7   2
   4   3   6   3   2   1   1   8   3  12   9   9   4   5   3   5
   4   3   5   2   1   1   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    46    49    50    53  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    47    46    49    50    53    54    55  
   38    39    40    41    46    49    50    53  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46    49    50    53  
   40    41    42    49  
   41    42    49  
   42    43    44    45    47    46    49    51  
   43    44    45    47    48    46    49    50    53    51    52    56  
   44    45    47    46    49    51  
   45    47    48    46    49    51    52    56    57    58  
   47    48    46    51    52    56  
   49    50    53    54    55    51    47    48  
   48    49    50    53    51    52    56  
   49    51  
   50    53    54    55  
   53    54    55  
   52    56    57    58    59    60  
   56    57    58  
   54    55  
   55  
    0  
   57    58    59    62    72    60    61    64  
   58    59    60  
   59    62    63    67    71    72    60    61    64    65    66    68  
   62    63    67    71    72    73    60    61    64  
   61    64    65    66    68    69    70    62    72  
   64    65    66    68  
   63    67    71    72    73  
   67    71    72  
   65    66    68    69    70  
   66    68    69    70  
   68    69    70  
   71    72    73    74    75  
   69    70  
   70  
    0  
   72    73    74    75  
   73    74    75  
   74    75  
   75  
    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   0.107500   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   42   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   47   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   49   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   52   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   53   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   56   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   58   3.5500   0.0760  -0.056700   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   64   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   68   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   71   3.5500   0.0700   0.500900   2.0020   1.7750   0.001000000  -0.843144165
   72   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   73   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   74   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   75   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
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    49   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   222.000  1.810
   41    42   200.000  1.824
   42    43   340.000  1.090
   42    44   268.000  1.529
   42    46   305.000  1.456
   44    45   340.000  1.090
   44    47   250.000  1.540
   44    51   337.000  1.449
   47    48   930.000  1.212
   47    46   440.000  1.369
   46    49   337.000  1.449
   49    50   340.000  1.090
   49    53   317.000  1.522
   53    54   656.000  1.250
   53    55   656.000  1.250
   51    52   434.000  1.010
   51    56   490.000  1.335
   56    57   570.000  1.229
   56    58   410.000  1.444
   58    59   320.000  1.460
   58    60   549.000  1.340
   59    62   520.000  1.370
   59    72   410.000  1.394
   62    63   367.000  1.080
   62    67   265.000  1.745
   67    71   250.000  1.765
   71    72   488.000  1.335
   71    73   420.000  1.385
   73    74   434.000  1.010
   73    75   434.000  1.010
   60    61   340.000  1.080
   60    64   317.000  1.510
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    68   317.000  1.522
   68    69   656.000  1.250
   68    70   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    49    75.00000  108.68000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    75.00000  111.63000
   33    49    46    80.00000  109.70000
   33    49    50    37.50000  110.70000
   33    49    53    63.00000  111.10000
   38    33    34    37.50000  110.70000
   38    41    42    85.00000   99.86700
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    42    43    45.00000  109.41400
   41    42    44    65.00000  119.05700
   41    42    46    80.00000  108.62000
   42    44    45    37.50000  110.70000
   42    44    47   100.00000   86.36000
   42    44    51    80.00000  110.05700
   42    46    47   100.00000   93.00000
   42    46    49    50.00000  132.70000
   44    42    43    37.50000  110.70000
   44    47    48    60.00000  136.58000
   44    47    46    95.00000   92.72400
   44    51    52    38.00000  118.40000
   44    51    56    50.00000  121.90000
   47    44    45    40.00000  113.37500
   47    46    49    50.00000  132.10000
   46    42    43    50.00000  112.01000
   46    42    44   105.00000   87.49700
   46    47    48    75.00000  131.60000
   46    49    50    35.00000  109.50000
   46    49    53    63.00000  110.10000
   49    33    34    37.50000  110.70000
   49    33    38    58.35000  112.70000
   49    53    54    70.00000  117.00000
   49    53    55    70.00000  117.00000
   53    49    50    35.00000  109.50000
   55    53    54    80.00000  126.00000
   51    44    45    50.00000  112.01000
   51    44    47    75.00000  110.24000
   51    56    57    80.00000  122.90000
   51    56    58    80.00000  111.56200
   56    51    52    35.00000  119.80000
   56    58    59    75.00000  114.44000
   56    58    60    70.00000  118.70000
   58    56    57    80.00000  125.30000
   58    59    62    60.00000  120.93500
   58    59    72    70.00000  118.40000
   58    60    61    35.00000  120.00000
   58    60    64    70.00000  124.00000
   59    62    63    35.00000  130.70000
   59    62    67    80.00000  111.29200
   59    72    71    70.00000  110.00000
   62    67    71   120.00000   89.04400
   67    62    63    40.00000  122.38200
   67    71    72    80.00000  114.57700
   67    71    73    70.00000  122.29500
   71    73    74    35.00000  113.50000
   71    73    75    35.00000  113.50000
   72    59    62    70.00000  111.00000
   73    71    72    75.00000  125.31200
   75    73    74    35.00000  109.00000
   60    58    59    60.00000  123.20500
   60    64    65    35.00000  109.50000
   60    64    66    35.00000  109.50000
   60    64    68    65.00000  111.94000
   64    60    61    35.00000  117.00000
   64    68    69    70.00000  117.00000
   64    68    70    70.00000  117.00000
   66    64    65    33.00000  107.80000
   68    64    65    35.00000  109.50000
   68    64    66    35.00000  109.50000
   70    68    69    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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    49    46   0.71400  1.0 1.0
   29    33    49    46   0.04300 -1.0 2.0
   29    33    49    46   0.01450  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    53  -2.17200  1.0 1.0
   29    33    49    53  -0.85700 -1.0 2.0
   33    38    41    42  -0.25000 -1.0 2.0
   33    38    41    42  -0.01800  1.0 3.0
   33    49    53    54   0.00000  1.0 1.0
   33    49    53    55   0.00000  1.0 1.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    49    46   0.23200  1.0 3.0
   34    33    49    50   0.15000  1.0 3.0
   34    33    49    53  -0.03800  1.0 3.0
   38    33    49    46   0.42250  1.0 1.0
   38    33    49    46  -0.48100 -1.0 2.0
   38    33    49    46   0.35650  1.0 3.0
   38    33    49    50   0.15000  1.0 3.0
   38    33    49    53  -0.84850  1.0 1.0
   38    33    49    53  -0.22800 -1.0 2.0
   38    33    49    53   0.29250  1.0 3.0
   38    41    42    43   0.00000  1.0 1.0
   38    41    42    44   0.25150  1.0 1.0
   38    41    42    44  -1.17200 -1.0 2.0
   38    41    42    44   0.53050  1.0 3.0
   38    41   -42    46   0.01700  1.0 1.0
   38    41   -42    46  -0.23550 -1.0 2.0
   38    41   -42    46   0.21350  1.0 3.0
   39    38    41    42   0.32350  1.0 3.0
   40    38    41    42   0.32350  1.0 3.0
   41    42    44    45   0.00000  1.0 1.0
   41    42    44    47   0.00000  1.0 1.0
   41    42    44    51   0.00000  1.0 1.0
   41    42   -46    47   0.00000  1.0 1.0
   41    42    46    49   0.00000  1.0 1.0
   42    44    47    48  -0.11250  1.0 1.0
   42    44    47    48   0.11400 -1.0 2.0
   42    44    47    48  -0.28950  1.0 3.0
   42    44   -47    46   3.00000 -1.0 2.0
   42    44    51    52   0.00000  1.0 1.0
   42    44    51    56  -0.43950  1.0 1.0
   42    44    51    56  -0.08100 -1.0 2.0
   42    44    51    56   0.03350  1.0 3.0
   42    46   -49    33   0.00000  1.0 1.0
   42    46    49    50   0.00000  1.0 1.0
   42    46    49    53   0.00000  1.0 1.0
   43    42    44    45   0.15000  1.0 3.0
   43    42    44    47   0.15000  1.0 3.0
   43    42    44    51   0.15000  1.0 3.0
   43    42   -46    47   0.00000  1.0 1.0
   43    42    46    49   0.00000  1.0 1.0
   44    42   -46    47   0.00000  1.0 1.0
   44    42    46    49   0.00000  1.0 1.0
   44    47   -46    42   3.00000 -1.0 2.0
   44    47   -46    49   3.00000 -1.0 2.0
   44    51    56    57   3.04450 -1.0 2.0
   44    51    56    58   1.49850  1.0 1.0
   44    51    56    58   1.53950 -1.0 2.0
   45    44    47    48   0.00000  1.0 1.0
   45    44    47    46   0.00000  1.0 1.0
   45    44    51    52   0.00000  1.0 1.0
   45    44    51    56   0.00000  1.0 1.0
   47    44    51    52   0.00000  1.0 1.0
   47    44    51    56  -0.42300  1.0 1.0
   47    44    51    56  -0.07000 -1.0 2.0
   47    44    51    56   0.04150  1.0 3.0
   47    46    49    33   0.00000  1.0 1.0
   47    46    49    50   0.00000  1.0 1.0
   47    46    49    53   0.00000  1.0 1.0
   48    47   -46    42   3.00000 -1.0 2.0
   48    47    46    49   3.00000 -1.0 2.0
   46    42   -44    45   0.15000  1.0 3.0
   46    42   -44    47   3.00000 -1.0 2.0
   46    42    44    51   2.20050  1.0 1.0
   46    42    44    51   0.63450 -1.0 2.0
   46    42    44    51  -0.91300  1.0 3.0
   46    49    53    54   0.00000  1.0 1.0
   46    49    53    55   0.00000  1.0 1.0
   49    33    38    39   0.15000  1.0 3.0
   49    33    38    40   0.15000  1.0 3.0
   49    33   -38    41   0.44750  1.0 1.0
   49    33   -38    41  -0.17800 -1.0 2.0
   49    33   -38    41   0.20200  1.0 3.0
   50    49    53    54   0.00000  1.0 1.0
   50    49    53    55   0.00000  1.0 1.0
   51    44    47    48   0.30150 -1.0 2.0
   51    44   -47    46   0.00000  1.0 1.0
   51    56    58    59   1.50000 -1.0 2.0
   51    56    58    60   0.49500  1.0 1.0
   51    56    58    60   1.31600 -1.0 2.0
   51    56    58    60  -0.02300  1.0 3.0
   52    51    56    57   2.45000 -1.0 2.0
   52    51    56    58   2.56700 -1.0 2.0
   56    58    59    62  -0.01750  1.0 1.0
   56    58    59    62  -0.32000 -1.0 2.0
   56    58    59    62   0.00600  1.0 3.0
   56    58    59    72  -0.01750  1.0 1.0
   56    58    59    72  -0.32000 -1.0 2.0
   56    58    59    72   0.00600  1.0 3.0
   56    58    60    61   7.00000 -1.0 2.0
   56    58    60    64   7.00000 -1.0 2.0
   57    56    58    59  -0.52200  1.0 1.0
   57    56    58    59   0.82950 -1.0 2.0
   57    56    58    60   1.00000 -1.0 2.0
   58    59    62    63   3.62500 -1.0 2.0
   58    59    62    67   3.62500 -1.0 2.0
   58    59    72    71   3.62500 -1.0 2.0
   58    60    64    65   0.00000  1.0 1.0
   58    60    64    66   0.00000  1.0 1.0
   58    60    64    68  -0.51250  1.0 1.0
   58    60    64    68  -0.88800 -1.0 2.0
   58    60    64    68   0.08850  1.0 3.0
   59    58    60    61   7.00000 -1.0 2.0
   59    58    60    64   7.00000 -1.0 2.0
   59    62   -67    71   3.62500 -1.0 2.0
   62    59   -72    71   2.40000 -1.0 2.0
   62    67   -71    72   3.62500 -1.0 2.0
   62    67    71    73   3.62500 -1.0 2.0
   63    62    67    71   3.62500 -1.0 2.0
   67    71   -72    59   3.62500 -1.0 2.0
   67    71    73    74   0.47600 -1.0 2.0
   67    71    73    75   0.47600 -1.0 2.0
   72    59    62    63   3.62500 -1.0 2.0
   72    59   -62    67   3.62500 -1.0 2.0
   72    71    73    74   1.75000 -1.0 2.0
   72    71    73    75   1.75000 -1.0 2.0
   73    71    72    59   3.62500 -1.0 2.0
   60    58    59    62   0.15800  1.0 1.0
   60    58    59    62   1.85350 -1.0 2.0
   60    58    59    62  -0.48700  1.0 3.0
   60    58    59    72   0.11450  1.0 1.0
   60    58    59    72   1.85100 -1.0 2.0
   60    58    59    72  -0.49050  1.0 3.0
   60    64    68    69   0.30150 -1.0 2.0
   60    64    68    70   0.30150 -1.0 2.0
   61    60    64    65   0.33100  1.0 3.0
   61    60    64    66   0.33100  1.0 3.0
   61    60    64    68   0.00000  1.0 1.0
   65    64    68    69   0.00000  1.0 1.0
   65    64    68    70   0.00000  1.0 1.0
   66    64    68    69   0.00000  1.0 1.0
   66    64    68    70   0.00000  1.0 1.0
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
   36    30    35    37  10.50000 -1.0 2.0
   44    46    47    48  10.50000 -1.0 2.0
   49    47    46    42   1.00000 -1.0 2.0
   54    49    53    55  10.50000 -1.0 2.0
   52    56    51    44   1.00000 -1.0 2.0
   51    58    56    57  10.50000 -1.0 2.0
   56    59    58    60  15.00000 -1.0 2.0
   62    72    59    58   4.00000 -1.0 2.0
   67    63    62    59   1.10000 -1.0 2.0
   72    73    71    67   4.00000 -1.0 2.0
   75    71    73    74   1.00000 -1.0 2.0
   64    61    60    58  15.00000 -1.0 2.0
   69    64    68    70  10.50000 -1.0 2.0
END
