* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    143    230     428
    1     0 S   NP   _N1_     1    29.08986    92.82791   -22.27004
    2     1 S   H    _HN1     2     1.02773    98.99667   -79.28868
    3     1 S   H    _H1_     3     1.02967    94.58186    30.10740
    4     1 S   H    _H2_     4     1.02827    19.34721   161.31023
    5     1 S   CT   _CA1     5     1.50150   129.87859   151.50116
    6     5 S   HC   _HA1     6     1.09580   105.19724    62.60944
    7     5 S   CO3  _C1_     7     1.53781   112.43820   -57.43357
    8     7 S   O2Z  _O11     8     1.26351   115.01949   -41.78271
    9     7 S   O2Z  _O12     9     1.26253   114.91651   137.29182
   10     5 S   CT   _CB1    10     1.53076   107.35760  -179.60435
   11    10 S   HC   HB11    11     1.09820   109.16528   -51.50051
   12    10 S   HC   HB12    12     1.09823   110.42474    64.95532
   13    10 S   CT   _CG1    13     1.53012   112.80668  -172.73791
   14    13 S   HC   HG11    14     1.09596   110.28782   -64.90688
   15    13 S   HC   HG12    15     1.09641   110.13856    54.33962
   16    13 S   C    _CD1    16     1.51793   112.24939   174.45380
   17    16 S   O    _OE1    17     1.22742   123.22589    -8.38872
   18    16 S   N    _N2_    18     1.38680   111.75328   172.35037
   19    18 S   H    _HN2    19     1.01582   119.12830     1.29739
   20    18 S   CT1  _CA2    20     1.46061   123.18076  -179.06101
   21    20 S   HC   _HA2    21     1.09578   109.23777    -7.66309
   22    20 S   C    _C2_    22     1.53450   108.93757  -122.87643
   23    22 S   O    _O2_    23     1.23041   122.05226  -148.30383
   24    20 S   CT   _CB2    32     1.53452   111.78975   114.55530
   25    24 S   HC   HB21    33     1.09659   109.55071    64.07571
   26    24 S   HC   HB22    34     1.09576   110.81667  -178.69209
   27    22 S   N    _N3_    24     1.38457   113.55453    39.25506
   28    27 S   H    _HN3    25     1.01512   118.93146    -0.78160
   29    24 S   S    _SG2    35     1.82862   114.87759   -55.64812
   30    27 S   CT   _CA3    26     1.45445   123.45623   174.85669
   31    30 S   HC   HA31    27     1.09524   109.23912    24.53971
   32    30 S   HC   HA32    28     1.09496   107.12958   141.55903
   33    29 S   CT   _C18    36     1.82515    99.97907   -67.00718
   34    33 S   HC   _H22    37     1.09426   107.58523   -59.58813
   35    33 S   HC   _H23    38     1.09328   109.34529    58.22413
   36    30 S   CO3  _C3_    29     1.52929   113.08600   -98.92456
   37    36 S   O2Z  _O31    30     1.26406   115.40452   -44.43943
   38    36 S   O2Z  _O32    31     1.26354   114.98303   136.47296
   39    33 S   CT   _C16    39     1.52636   110.74055   179.69099
   40    39 S   HC   _H6_    40     1.09715   112.28743    44.10769
   41    39 S   CO4  _C17    41     1.52614   113.66344   -79.93724
   42    41 S   O    _O33    42     1.22065   126.65557    41.11032
   43    41 S   OS   _O34    43     1.37928   109.56027  -139.33064
   44    43 S   CT   _C12    44     1.42834   107.76476    -8.41858
   45    44 S   HC   _H4_    45     1.09803   107.27939   -83.74482
   46    44 S   CT   _C11    46     1.53534   115.22629   152.65588
   47    46 S   HC   _H3_    47     1.10192   106.10308   -56.96571
   48    39 S   CT   _C13    65     1.52135   112.03017   169.16022
   49    48 S   HC   _H5_    66     1.10220   107.90644    44.89990
   50    46 S   CM   _C9_    48     1.52147   117.68452    59.77229
   51    50 S   CT   _C8_    49     1.51216   113.17711  -174.37803
   52    51 S   HC   _H14    50     1.09737   108.64741    65.76978
   53    51 S   HC   _H15    51     1.09650   111.55200  -177.10558
   54    50 S   CM   _C10    71     1.34191   125.73596     6.15985
   55    54 S   HC   _H16    72     1.08360   122.39153     0.10087
   56    54 S   HC   _H17    73     1.08545   121.08407   179.78511
   57    51 S   CT   _C7_    52     1.52993   111.51235   -54.89631
   58    57 S   HC   _H12    53     1.09650   109.25410   171.54608
   59    57 S   HC   _H13    54     1.09648   109.60614   -72.50336
   60    57 S   CT   _C6_    55     1.53396   112.61124    50.03728
   61    60 S   HC   _H10    56     1.09826   108.17665    69.53403
   62    60 S   HC   _H11    57     1.09716   109.16197  -175.19054
   63    46 S   CT   _C5_    58     1.57269   109.75226  -173.70879
   64    63 S   CT   _C15    59     1.55941   110.37710    52.73876
   65    64 S   HC   _H20    60     1.09718   110.27715  -173.82552
   66    64 S   HC   _H21    61     1.09848   109.04157    70.00980
   67    63 S   CT   _C4_    67     1.55162   112.27581   -67.78359
   68    67 S   HC   _H7_    68     1.09353   112.41336    63.63143
   69    67 S   HC   _H8_    69     1.09381   112.65274   -57.11610
   70    67 S   HC   _H9_    70     1.09641   110.54254  -176.89650
   71    64 S   CT   _C14    62     1.53875   113.97368   -50.65893
   72    71 S   HC   _H18    63     1.09563   109.25651   173.79676
   73    71 S   HC   _H19    64     1.09545   110.58698   -69.01791
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   9  15   7  23   8   9
   4  13  12   6   5   4   1   1   8   5   4  11   4   3  10   9
   5   4   4   2   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    41    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    71    48    49  
   35    39    40    41    48  
   39    40    41    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    64    71    72    73    48    49  
   41    42    43    44    71    48    49  
   42    43    44    45    46    71    48    49  
   43    44    48  
   44    45    46    47    50    63    71    48    49  
   45    46    47    50    51    60    63    64    71    72    73    48    49    67    54  
   46    47    50    63    71    48    49  
   47    50    51    52    53    57    60    61    62    63    64    65    66    71    48    49    67    68    69    70    54    55    56  
   50    51    60    63    64    48    67    54  
   49    50    63    64    65    66    71    72    73  
   64    71    72    73  
   51    52    53    57    58    59    60    63    64    67    54    55    56  
   52    53    57    58    59    60    61    62    63    54    55    56  
   53    57    58    59    60    54  
   57    58    59    60    54  
   55    56    57    63  
   56  
    0  
   58    59    60    61    62    63    64    67  
   59    60    61    62    63  
   60    61    62    63  
   61    62    63    64    65    66    71    67    68    69    70  
   62    63    64    67  
   63    64    67  
   64    65    66    71    72    73    67    68    69    70  
   65    66    71    72    73    67    68    69    70  
   66    71    72    73    67  
   71    72    73    67  
   68    69    70    71  
   69    70  
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   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   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    48   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   268.000  1.529
   46    47   340.000  1.090
   46    50   317.000  1.510
   46    63   268.000  1.529
   50    51   317.000  1.510
   50    54   549.000  1.340
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   268.000  1.529
   63    67   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    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
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   54    55   340.000  1.080
   54    56   340.000  1.080
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  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    48    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    48    44    58.35000  112.70000
   39    48    71    58.35000  112.70000
   39    48    49    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    50    70.00000  112.02700
   44    46    63    58.35000  112.70000
   44    48    71    58.35000  112.70000
   44    48    49    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    50    51    65.00000  117.92700
   46    50    54    70.00000  124.00000
   46    63    60    58.35000  112.70000
   46    63    64    58.35000  112.70000
   46    63    67    58.35000  112.70000
   50    46    47    35.00000  109.50000
   50    51    52    35.00000  109.50000
   50    51    53    35.00000  109.50000
   50    51    57    70.00000  112.02700
   50    54    55    35.00000  120.00000
   50    54    56    35.00000  120.00000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    60    58.35000  112.70000
   53    51    52    33.00000  107.80000
   57    51    52    37.50000  110.70000
   57    51    53    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    62    37.50000  110.70000
   57    60    63    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    63    64    58.35000  112.70000
   60    63    67    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    46    47    37.50000  110.70000
   63    46    50    70.00000  112.02700
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    64    65    37.50000  110.70000
   63    64    66    37.50000  110.70000
   63    64    71    58.35000  112.70000
   63    67    68    37.50000  110.70000
   63    67    69    37.50000  110.70000
   63    67    70    37.50000  110.70000
   64    71    72    37.50000  110.70000
   64    71    73    37.50000  110.70000
   64    71    48    58.35000  112.70000
   66    64    65    33.00000  107.80000
   71    64    65    37.50000  110.70000
   71    64    66    37.50000  110.70000
   71    48    49    37.50000  110.70000
   73    71    72    33.00000  107.80000
   48    39    40    37.50000  110.70000
   48    39    41    63.00000  111.10000
   48    44    45    37.50000  110.70000
   48    44    46    58.35000  112.70000
   48    71    72    37.50000  110.70000
   48    71    73    37.50000  110.70000
   67    63    64    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   54    50    51    70.00000  124.00000
   56    54    55    35.00000  117.00000
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    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   0.01700  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    48   0.44750  1.0 1.0
   29    33    39    48  -0.17800 -1.0 2.0
   29    33    39    48   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    48    44   0.56750  1.0 1.0
   33    39    48    44  -0.07550 -1.0 2.0
   33    39    48    44   0.20000  1.0 3.0
   33    39    48    71   0.56750  1.0 1.0
   33    39    48    71  -0.07550 -1.0 2.0
   33    39    48    71   0.20000  1.0 3.0
   33    39    48    49   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    48   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    48   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    48    44   0.15000  1.0 3.0
   40    39    48    71   0.15000  1.0 3.0
   40    39    48    49   0.15000  1.0 3.0
   41    39   -48    44  -0.95700  1.0 1.0
   41    39   -48    44  -0.18200 -1.0 2.0
   41    39   -48    44   0.29450  1.0 3.0
   41    39    48    71  -0.95700  1.0 1.0
   41    39    48    71  -0.18200 -1.0 2.0
   41    39    48    71   0.29450  1.0 3.0
   41    39    48    49  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.25900  1.0 1.0
   41    43    44    46  -0.47000 -1.0 2.0
   41    43    44    46   0.11750  1.0 3.0
   41    43   -44    48  -0.25900  1.0 1.0
   41    43   -44    48  -0.47000 -1.0 2.0
   41    43   -44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    50   0.61850  1.0 1.0
   43    44    46    50  -0.22750 -1.0 2.0
   43    44    46    50   0.15300  1.0 3.0
   43    44    46    63   0.62750  1.0 1.0
   43    44    46    63  -0.30950 -1.0 2.0
   43    44    46    63   0.27300  1.0 3.0
   43    44   -48    39   0.62750  1.0 1.0
   43    44   -48    39  -0.30950 -1.0 2.0
   43    44   -48    39   0.27300  1.0 3.0
   43    44    48    71   0.62750  1.0 1.0
   43    44    48    71  -0.30950 -1.0 2.0
   43    44    48    71   0.27300  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   44    46    50    51   0.46850  1.0 1.0
   44    46    50    51   0.08550 -1.0 2.0
   44    46    50    51   0.09800  1.0 3.0
   44    46    50    54   0.09850  1.0 1.0
   44    46    50    54   0.15250 -1.0 2.0
   44    46    50    54  -0.50650  1.0 3.0
   44    46    63    60   0.56750  1.0 1.0
   44    46    63    60  -0.07550 -1.0 2.0
   44    46    63    60   0.20000  1.0 3.0
   44    46    63    64   0.56750  1.0 1.0
   44    46    63    64  -0.07550 -1.0 2.0
   44    46    63    64   0.20000  1.0 3.0
   44    46    63    67   0.56750  1.0 1.0
   44    46    63    67  -0.07550 -1.0 2.0
   44    46    63    67   0.20000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    46    63   0.15000  1.0 3.0
   45    44    48    39   0.15000  1.0 3.0
   45    44    48    71   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   46    44    48    39   0.56750  1.0 1.0
   46    44    48    39  -0.07550 -1.0 2.0
   46    44    48    39   0.20000  1.0 3.0
   46    44    48    71   0.56750  1.0 1.0
   46    44    48    71  -0.07550 -1.0 2.0
   46    44    48    71   0.20000  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    50    51    52   0.34800  1.0 3.0
   46    50    51    53   0.34800  1.0 3.0
   46    50    51    57   0.46850  1.0 1.0
   46    50    51    57   0.08550 -1.0 2.0
   46    50    51    57   0.09800  1.0 3.0
   46    50    54    55   7.00000 -1.0 2.0
   46    50    54    56   7.00000 -1.0 2.0
   46    63    64    65   0.15000  1.0 3.0
   46    63    64    66   0.15000  1.0 3.0
   46    63   -64    71   0.56750  1.0 1.0
   46    63   -64    71  -0.07550 -1.0 2.0
   46    63   -64    71   0.20000  1.0 3.0
   46    63    67    68   0.15000  1.0 3.0
   46    63    67    69   0.15000  1.0 3.0
   46    63    67    70   0.15000  1.0 3.0
   47    46    50    51   0.34800  1.0 3.0
   47    46    50    54   0.00000  1.0 1.0
   47    46    63    60   0.15000  1.0 3.0
   47    46    63    64   0.15000  1.0 3.0
   47    46    63    67   0.15000  1.0 3.0
   50    46    63    60   0.34400  1.0 1.0
   50    46    63    60   0.09450 -1.0 2.0
   50    46    63    60   0.11100  1.0 3.0
   50    46    63    64   0.34400  1.0 1.0
   50    46    63    64   0.09450 -1.0 2.0
   50    46    63    64   0.11100  1.0 3.0
   50    46    63    67   0.34400  1.0 1.0
   50    46    63    67   0.09450 -1.0 2.0
   50    46    63    67   0.11100  1.0 3.0
   50    51    57    58   0.15000  1.0 3.0
   50    51    57    59   0.15000  1.0 3.0
   50    51   -57    60   0.34400  1.0 1.0
   50    51   -57    60   0.09450 -1.0 2.0
   50    51   -57    60   0.11100  1.0 3.0
   51    50    54    55   7.00000 -1.0 2.0
   51    50    54    56   7.00000 -1.0 2.0
   51    57    60    61   0.15000  1.0 3.0
   51    57    60    62   0.15000  1.0 3.0
   51    57    60    63   0.56750  1.0 1.0
   51    57    60    63  -0.07550 -1.0 2.0
   51    57    60    63   0.20000  1.0 3.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    59   0.15000  1.0 3.0
   52    51    57    60   0.15000  1.0 3.0
   53    51    57    58   0.15000  1.0 3.0
   53    51    57    59   0.15000  1.0 3.0
   53    51    57    60   0.15000  1.0 3.0
   57    60   -63    46   0.56750  1.0 1.0
   57    60   -63    46  -0.07550 -1.0 2.0
   57    60   -63    46   0.20000  1.0 3.0
   57    60    63    64   0.56750  1.0 1.0
   57    60    63    64  -0.07550 -1.0 2.0
   57    60    63    64   0.20000  1.0 3.0
   57    60    63    67   0.56750  1.0 1.0
   57    60    63    67  -0.07550 -1.0 2.0
   57    60    63    67   0.20000  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    63   0.15000  1.0 3.0
   59    57    60    61   0.15000  1.0 3.0
   59    57    60    62   0.15000  1.0 3.0
   59    57    60    63   0.15000  1.0 3.0
   60    63    64    65   0.15000  1.0 3.0
   60    63    64    66   0.15000  1.0 3.0
   60    63    64    71   0.56750  1.0 1.0
   60    63    64    71  -0.07550 -1.0 2.0
   60    63    64    71   0.20000  1.0 3.0
   60    63    67    68   0.15000  1.0 3.0
   60    63    67    69   0.15000  1.0 3.0
   60    63    67    70   0.15000  1.0 3.0
   61    60    63    46   0.15000  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    67   0.15000  1.0 3.0
   62    60    63    46   0.15000  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    67   0.15000  1.0 3.0
   63    46   -50    51   0.46850  1.0 1.0
   63    46   -50    51   0.08550 -1.0 2.0
   63    46   -50    51   0.09800  1.0 3.0
   63    46    50    54   0.09850  1.0 1.0
   63    46    50    54   0.15250 -1.0 2.0
   63    46    50    54  -0.50650  1.0 3.0
   63    64    71    72   0.15000  1.0 3.0
   63    64    71    73   0.15000  1.0 3.0
   63    64    71    48   0.56750  1.0 1.0
   63    64    71    48  -0.07550 -1.0 2.0
   63    64    71    48   0.20000  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    69   0.15000  1.0 3.0
   64    63    67    70   0.15000  1.0 3.0
   64    71    48    39   0.56750  1.0 1.0
   64    71    48    39  -0.07550 -1.0 2.0
   64    71    48    39   0.20000  1.0 3.0
   64    71   -48    44   0.56750  1.0 1.0
   64    71   -48    44  -0.07550 -1.0 2.0
   64    71   -48    44   0.20000  1.0 3.0
   64    71    48    49   0.15000  1.0 3.0
   65    64    71    72   0.15000  1.0 3.0
   65    64    71    73   0.15000  1.0 3.0
   65    64    71    48   0.15000  1.0 3.0
   66    64    71    72   0.15000  1.0 3.0
   66    64    71    73   0.15000  1.0 3.0
   66    64    71    48   0.15000  1.0 3.0
   72    71    48    39   0.15000  1.0 3.0
   72    71    48    44   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    44   0.15000  1.0 3.0
   73    71    48    49   0.15000  1.0 3.0
   48    39    41    42   0.30150 -1.0 2.0
   48    39   -41    43   0.36750  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    50   0.34400  1.0 1.0
   48    44    46    50   0.09450 -1.0 2.0
   48    44    46    50   0.11100  1.0 3.0
   48    44   -46    63   0.56750  1.0 1.0
   48    44   -46    63  -0.07550 -1.0 2.0
   48    44   -46    63   0.20000  1.0 3.0
   67    63    64    65   0.15000  1.0 3.0
   67    63    64    66   0.15000  1.0 3.0
   67    63    64    71   0.56750  1.0 1.0
   67    63    64    71  -0.07550 -1.0 2.0
   67    63    64    71   0.20000  1.0 3.0
   54    50    51    52   0.00000  1.0 1.0
   54    50    51    53   0.00000  1.0 1.0
   54    50    51    57   0.09850  1.0 1.0
   54    50    51    57   0.15250 -1.0 2.0
   54    50    51    57  -0.50650  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   46    51    50    54   1.10000 -1.0 2.0
   55    56    54    50   1.10000 -1.0 2.0
END
