* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    145    224     421
    1     0 S   NP   _N1_     1    29.34075    91.76634   -22.10150
    2     1 S   H    _HN1     2     1.02772   101.68784   -71.20913
    3     1 S   H    _H1_     3     1.02968    98.04242    39.50412
    4     1 S   H    _H2_     4     1.02829    13.95587   170.61768
    5     1 S   CT   _CA1     5     1.50152   124.53978   161.03966
    6     5 S   HC   _HA1     6     1.09580   105.19749    61.64180
    7     5 S   CO3  _C1_     7     1.53780   112.43893   -58.38845
    8     7 S   O2Z  _O11     8     1.26348   115.01544   -41.72092
    9     7 S   O2Z  _O12     9     1.26254   114.91740   137.35862
   10     5 S   CT   _CB1    10     1.53078   107.35197   179.41650
   11    10 S   HC   HB11    11     1.09820   109.15149   -51.62083
   12    10 S   HC   HB12    12     1.09822   110.42803    64.81695
   13    10 S   CT   _CG1    13     1.53020   112.81602  -172.87561
   14    13 S   HC   HG11    14     1.09595   110.27156   -64.94347
   15    13 S   HC   HG12    15     1.09638   110.16062    54.31305
   16    13 S   C    _CD1    16     1.51783   112.22023   174.40381
   17    16 S   O    _OE1    17     1.22758   123.19444    -9.03583
   18    16 S   N    _N2_    18     1.38700   111.79326   171.64995
   19    18 S   H    _HN2    19     1.01590   119.15765     0.69097
   20    18 S   CT1  _CA2    20     1.46065   123.10367  -178.88460
   21    20 S   HC   _HA2    21     1.09564   109.08498   -12.67235
   22    20 S   C    _C2_    22     1.53409   108.86424  -127.70629
   23    22 S   O    _O2_    23     1.23028   122.11884  -148.08372
   24    20 S   CT   _CB2    32     1.53532   111.97772   109.63581
   25    24 S   HC   HB21    33     1.09659   109.48222    64.85063
   26    24 S   HC   HB22    34     1.09578   110.78205  -177.97223
   27    22 S   N    _N3_    24     1.38479   113.44069    39.57560
   28    27 S   H    _HN3    25     1.01518   118.91971    -0.83580
   29    24 S   S    _SG2    35     1.82869   115.00043   -54.79655
   30    27 S   CT   _CA3    26     1.45435   123.37741   174.46154
   31    30 S   HC   HA31    27     1.09529   109.10165    26.71564
   32    30 S   HC   HA32    28     1.09488   107.14922   143.75903
   33    29 S   CT   _C18    36     1.82672   100.06501   -67.90288
   34    33 S   HC   _H3_    37     1.09330   106.74622   -66.78968
   35    33 S   HC   _H4_    38     1.09191   109.27944    50.27978
   36    30 S   CO3  _C3_    29     1.52963   113.26402   -96.61533
   37    36 S   O2Z  _O31    30     1.26395   115.52409   -40.53638
   38    36 S   O2Z  _O32    31     1.26371   114.89371   140.38912
   39    33 S   CT   _C11    39     1.53299   111.10374   172.20205
   40    39 S   HC   _H29    40     1.09650   111.61044    49.41898
   41    39 S   CO4  _C6_    41     1.51657   111.20651   -73.36803
   42    41 S   O    _O16    42     1.22123   125.97304    78.85373
   43    41 S   OS   _O17    43     1.36912   110.06607  -100.71534
   44    43 S   CT   _C13    44     1.43852   109.48350     2.98806
   45    44 S   HC   _H31    45     1.09861   105.96357    89.52247
   46    44 S   CT   _C7_    46     1.53935   109.64368  -155.82115
   47    46 S   HC   _H22    47     1.09866   108.42293   -39.68367
   48    46 S   HC   _H23    48     1.09054   106.76733  -152.63379
   49    39 S   CT   _C12    63     1.53928   115.17615   173.75637
   50    49 S   HC   _H30    64     1.09822   105.38187  -162.57432
   51    46 S   CM   _C5_    49     1.51504   118.54976    82.56416
   52    51 S   CM   _C4_    50     1.35132   124.30852   122.48678
   53    52 S   HC   _H21    51     1.08995   117.44322  -179.18483
   54    51 S   CT   _C16    72     1.50830   115.84565   -60.71951
   55    54 S   HC   _H33    73     1.09514   110.06433   -53.49871
   56    54 S   HC   _H34    74     1.09538   112.21364  -172.81029
   57    54 S   HC   _H35    75     1.09268   111.45093    66.83191
   58    52 S   CT   _C10    52     1.51153   128.25948     3.28646
   59    58 S   HC   _H28    53     1.09310   110.85131    26.01192
   60    58 S   CT   _C8_    54     1.53792   114.20231   -99.16175
   61    60 S   HC   _H24    55     1.09776   109.47399  -164.16203
   62    60 S   HC   _H25    56     1.09866   109.75680   -49.46499
   63    58 S   OH   _O19    70     1.43247   107.75809   140.36612
   64    63 S   HO   _H41    71     0.97256   108.03035    68.86423
   65    60 S   C3T  _C15    57     1.50581   112.08258    74.39806
   66    65 S   C3T  _C14    58     1.51758   115.92284   -84.25596
   67    66 S   HC   _H32    59     1.08354   120.01044    -3.32461
   68    65 S   CT   _C17    66     1.50060   117.15016    76.48483
   69    68 S   HC   _H36    67     1.09475   112.30998   164.20795
   70    68 S   HC   _H37    68     1.09531   110.27586    45.10067
   71    68 S   HC   _H38    69     1.09227   111.36416   -74.59338
   72    66 S   CT   _C9_    60     1.49289   123.27998   151.43259
   73    72 S   HC   _H26    61     1.09691   107.04021   130.33065
   74    72 S   HC   _H27    62     1.09383   112.43088    13.19094
   75    65 S   O3T  _O18    65     1.43866   115.64685  -149.28904
  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  13   7  13   5   4
   9   4  10  13   5   4   2   1   1  10   6  13   6   5   2   1
  10   9   5   5   3   2   1   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    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    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    72    49    50  
   35    39    40    41    49  
   39    40    41    49  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    66    72    73    74    49    50  
   41    42    43    44    72    49    50  
   42    43    44    45    46    72    49    50  
   43    44    49  
   44    45    46    47    48    51    72    49    50  
   45    46    47    48    51    52    66    72    73    74    49    50    54  
   46    47    48    51    72    49    50  
   47    48    51    52    53    58    72    49    50    54    55    56    57  
   48    51    52    49    54  
   51    52    49    54  
   50    75    51    65    66    67    72    73    74  
   66    72    73    74  
   52    53    58    59    60    63    54    55    56    57  
   53    58    59    60    61    62    65    63    64    54    55    56    57  
   58    59    60    63    54  
   55    56    57    58  
   56    57  
   57  
    0  
   59    60    61    62    65    66    75    68    63    64  
   60    61    62    65    63    64  
   61    62    65    66    67    72    75    68    69    70    71    63    64  
   62    65    66    75    68    63  
   65    66    75    68    63  
   64    65  
    0  
   66    67    72    73    74    75    68    69    70    71  
   67    72    73    74    75    68    69    70    71  
   72    73    74    75    68  
   69    70    71    72    75  
   70    71    75  
   71    75  
   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   0.047500   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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
   75   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    49   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    49   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   317.000  1.510
   51    52   549.000  1.340
   51    54   317.000  1.510
   52    53   340.000  1.080
   52    58   317.000  1.510
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    63   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   275.000  1.510
   65    66   260.000  1.509
   65    75   335.000  1.432
   65    68   275.000  1.510
   66    67   340.000  1.088
   66    72   275.000  1.510
   66    75   335.000  1.432
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    49   268.000  1.529
   49    50   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   63    64   553.000  0.945
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    49    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    49    44    58.35000  112.70000
   39    49    72    58.35000  112.70000
   39    49    50    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    49    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    51    70.00000  112.02700
   44    49    72    58.35000  112.70000
   44    49    50    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    51    52    70.00000  124.00000
   46    51    54    65.00000  117.92700
   48    46    47    33.00000  107.80000
   51    46    47    35.00000  109.50000
   51    46    48    35.00000  109.50000
   51    52    53    35.00000  120.00000
   51    52    58    70.00000  124.00000
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    57    35.00000  109.50000
   52    58    59    35.00000  109.50000
   52    58    60    70.00000  112.02700
   52    58    63    90.00000  110.39200
   58    52    53    35.00000  117.00000
   58    60    61    37.50000  110.70000
   58    60    62    37.50000  110.70000
   58    60    65    70.00000  112.37300
   58    63    64    55.00000  108.50000
   60    58    59    37.50000  110.70000
   60    65    66    60.00000  120.94000
   60    65    75    80.00000  116.47100
   60    65    68    58.35000  112.70000
   62    60    61    33.00000  107.80000
   65    60    61    45.00000  109.38400
   65    60    62    45.00000  109.38400
   65    66    67    37.50000  117.20000
   65    66    72    60.00000  120.94000
   65    66    75    15.00000   60.43100
   65    75    66    15.00000   59.14900
   65    68    69    45.00000  109.38400
   65    68    70    45.00000  109.38400
   65    68    71    45.00000  109.38400
   66    72    73    45.00000  109.38400
   66    72    74    45.00000  109.38400
   66    72    49    70.00000  112.37300
   72    66    67    40.00000  115.04500
   72    49    50    37.50000  110.70000
   74    72    73    33.00000  107.80000
   49    39    40    37.50000  110.70000
   49    39    41    63.00000  111.10000
   49    44    45    37.50000  110.70000
   49    44    46    58.35000  112.70000
   49    72    73    37.50000  110.70000
   49    72    74    37.50000  110.70000
   75    65    66    15.00000   60.43100
   75    66    67    50.00000  114.27700
   75    66    72    80.00000  116.47100
   68    65    66    60.00000  120.94000
   68    65    75    80.00000  116.47100
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   63    58    59    35.00000  109.50000
   63    58    60    50.00000  109.50000
   54    51    52    70.00000  124.00000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  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    49   0.44750  1.0 1.0
   29    33    39    49  -0.17800 -1.0 2.0
   29    33    39    49   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    49    44   0.56750  1.0 1.0
   33    39    49    44  -0.07550 -1.0 2.0
   33    39    49    44   0.20000  1.0 3.0
   33    39    49    72   0.56750  1.0 1.0
   33    39    49    72  -0.07550 -1.0 2.0
   33    39    49    72   0.20000  1.0 3.0
   33    39    49    50   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    49   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    49   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    49    44   0.15000  1.0 3.0
   40    39    49    72   0.15000  1.0 3.0
   40    39    49    50   0.15000  1.0 3.0
   41    39   -49    44  -0.95700  1.0 1.0
   41    39   -49    44  -0.18200 -1.0 2.0
   41    39   -49    44   0.29450  1.0 3.0
   41    39    49    72  -0.95700  1.0 1.0
   41    39    49    72  -0.18200 -1.0 2.0
   41    39    49    72   0.29450  1.0 3.0
   41    39    49    50  -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    49  -0.25900  1.0 1.0
   41    43   -44    49  -0.47000 -1.0 2.0
   41    43   -44    49   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    48   0.23400  1.0 3.0
   43    44    46    51   0.61850  1.0 1.0
   43    44    46    51  -0.22750 -1.0 2.0
   43    44    46    51   0.15300  1.0 3.0
   43    44   -49    39   0.62750  1.0 1.0
   43    44   -49    39  -0.30950 -1.0 2.0
   43    44   -49    39   0.27300  1.0 3.0
   43    44    49    72   0.62750  1.0 1.0
   43    44    49    72  -0.30950 -1.0 2.0
   43    44    49    72   0.27300  1.0 3.0
   43    44    49    50   0.23400  1.0 3.0
   44    46    51    52   0.09850  1.0 1.0
   44    46    51    52   0.15250 -1.0 2.0
   44    46    51    52  -0.50650  1.0 3.0
   44    46    51    54   0.46850  1.0 1.0
   44    46    51    54   0.08550 -1.0 2.0
   44    46    51    54   0.09800  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    51   0.15000  1.0 3.0
   45    44    49    39   0.15000  1.0 3.0
   45    44    49    72   0.15000  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   46    44    49    39   0.56750  1.0 1.0
   46    44    49    39  -0.07550 -1.0 2.0
   46    44    49    39   0.20000  1.0 3.0
   46    44    49    72   0.56750  1.0 1.0
   46    44    49    72  -0.07550 -1.0 2.0
   46    44    49    72   0.20000  1.0 3.0
   46    44    49    50   0.15000  1.0 3.0
   46    51    52    53   7.00000 -1.0 2.0
   46    51    52    58   7.00000 -1.0 2.0
   46    51    54    55   0.34800  1.0 3.0
   46    51    54    56   0.34800  1.0 3.0
   46    51    54    57   0.34800  1.0 3.0
   47    46    51    52   0.00000  1.0 1.0
   47    46    51    54   0.34800  1.0 3.0
   48    46    51    52   0.00000  1.0 1.0
   48    46    51    54   0.34800  1.0 3.0
   51    52    58    59   0.00000  1.0 1.0
   51    52    58    60   0.09850  1.0 1.0
   51    52    58    60   0.15250 -1.0 2.0
   51    52    58    60  -0.50650  1.0 3.0
   51    52    58    63   0.67800  1.0 1.0
   51    52    58    63   0.47050 -1.0 2.0
   51    52    58    63  -0.62500  1.0 3.0
   52    51    54    55   0.00000  1.0 1.0
   52    51    54    56   0.00000  1.0 1.0
   52    51    54    57   0.00000  1.0 1.0
   52    58    60    61   0.15000  1.0 3.0
   52    58    60    62   0.15000  1.0 3.0
   52    58    60    65   0.34400  1.0 1.0
   52    58    60    65   0.09450 -1.0 2.0
   52    58    60    65   0.11100  1.0 3.0
   52    58    63    64  -0.07800  1.0 1.0
   52    58    63    64  -0.21500 -1.0 2.0
   52    58    63    64  -0.03150  1.0 3.0
   53    52    58    59   0.33100  1.0 3.0
   53    52    58    60   0.00000  1.0 1.0
   53    52    58    63   0.00000  1.0 1.0
   58    60    65    66   0.07850  1.0 1.0
   58    60    65    66  -0.03950 -1.0 2.0
   58    60    65    66   0.67350  1.0 3.0
   58    60    65    75   0.02550  1.0 1.0
   58    60    65    75  -0.02600 -1.0 2.0
   58    60    65    75   1.20400  1.0 3.0
   58    60    65    68   0.56750  1.0 1.0
   58    60    65    68  -0.07550 -1.0 2.0
   58    60    65    68   0.20000  1.0 3.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    62   0.15000  1.0 3.0
   59    58    60    65   0.15000  1.0 3.0
   59    58    63    64   0.19450  1.0 3.0
   60    58    63    64  -0.11600  1.0 1.0
   60    58    63    64  -0.09450 -1.0 2.0
   60    58    63    64   0.21250  1.0 3.0
   60    65    66    67   0.15000  1.0 3.0
   60    65    66    72   0.56750  1.0 1.0
   60    65    66    72  -0.07550 -1.0 2.0
   60    65    66    72   0.20000  1.0 3.0
   60    65   -66    75   0.02550  1.0 1.0
   60    65   -66    75  -0.02600 -1.0 2.0
   60    65   -66    75   1.20400  1.0 3.0
   60    65   -75    66   0.06250  1.0 1.0
   60    65   -75    66  -0.01100 -1.0 2.0
   60    65   -75    66   0.28050  1.0 3.0
   60    65    68    69   0.15000  1.0 3.0
   60    65    68    70   0.15000  1.0 3.0
   60    65    68    71   0.15000  1.0 3.0
   61    60    65    66   0.15000  1.0 3.0
   61    60    65    75   0.23400  1.0 3.0
   61    60    65    68   0.15000  1.0 3.0
   62    60    65    66   0.15000  1.0 3.0
   62    60    65    75   0.23400  1.0 3.0
   62    60    65    68   0.15000  1.0 3.0
   65    66    72    73   0.15000  1.0 3.0
   65    66    72    74   0.15000  1.0 3.0
   65    66    72    49   0.07850  1.0 1.0
   65    66    72    49  -0.03950 -1.0 2.0
   65    66    72    49   0.67350  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    70   0.15000  1.0 3.0
   66    65    68    71   0.15000  1.0 3.0
   66    72    49    39   0.47050  1.0 1.0
   66    72    49    39   0.03900 -1.0 2.0
   66    72    49    39   0.20100  1.0 3.0
   66    72    49    44   0.47050  1.0 1.0
   66    72    49    44   0.03900 -1.0 2.0
   66    72    49    44   0.20100  1.0 3.0
   66    72    49    50   0.15000  1.0 3.0
   67    66    72    73   0.15000  1.0 3.0
   67    66    72    74   0.15000  1.0 3.0
   67    66    72    49   0.15000  1.0 3.0
   67    66   -75    65   0.36800  1.0 3.0
   72    66   -75    65   0.06250  1.0 1.0
   72    66   -75    65  -0.01100 -1.0 2.0
   72    66   -75    65   0.28050  1.0 3.0
   73    72    49    39   0.15000  1.0 3.0
   73    72    49    44   0.15000  1.0 3.0
   73    72    49    50   0.15000  1.0 3.0
   74    72    49    39   0.15000  1.0 3.0
   74    72    49    44   0.15000  1.0 3.0
   74    72    49    50   0.15000  1.0 3.0
   49    39    41    42   0.30150 -1.0 2.0
   49    39   -41    43   0.36750  1.0 3.0
   49    44    46    47   0.15000  1.0 3.0
   49    44    46    48   0.15000  1.0 3.0
   49    44    46    51   0.34400  1.0 1.0
   49    44    46    51   0.09450 -1.0 2.0
   49    44    46    51   0.11100  1.0 3.0
   75    65   -66    67   0.23400  1.0 3.0
   75    65   -66    72   0.02550  1.0 1.0
   75    65   -66    72  -0.02600 -1.0 2.0
   75    65   -66    72   1.20400  1.0 3.0
   75    65    68    69   0.23400  1.0 3.0
   75    65    68    70   0.23400  1.0 3.0
   75    65    68    71   0.23400  1.0 3.0
   75    66    72    73   0.23400  1.0 3.0
   75    66    72    74   0.23400  1.0 3.0
   75    66    72    49   0.02550  1.0 1.0
   75    66    72    49  -0.02600 -1.0 2.0
   75    66    72    49   1.20400  1.0 3.0
   68    65    66    67   0.15000  1.0 3.0
   68    65    66    72   0.56750  1.0 1.0
   68    65    66    72  -0.07550 -1.0 2.0
   68    65    66    72   0.20000  1.0 3.0
   68    65   -66    75   0.02550  1.0 1.0
   68    65   -66    75  -0.02600 -1.0 2.0
   68    65   -66    75   1.20400  1.0 3.0
   68    65   -75    66   0.06250  1.0 1.0
   68    65   -75    66  -0.01100 -1.0 2.0
   68    65   -75    66   0.28050  1.0 3.0
   63    58    60    61   0.23400  1.0 3.0
   63    58    60    62   0.23400  1.0 3.0
   63    58    60    65   0.86500  1.0 1.0
   63    58    60    65  -0.17500 -1.0 2.0
   63    58    60    65   0.20800  1.0 3.0
   54    51    52    53   7.00000 -1.0 2.0
   54    51    52    58   7.00000 -1.0 2.0
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
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   46    54    51    52   1.10000 -1.0 2.0
   58    53    52    51   1.10000 -1.0 2.0
END
