* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    155    231     444
    1     0 S   NP   _N1_     1    28.76439    94.63693   -24.79782
    2     1 S   H    _HN1     2     1.02829    27.22702  -176.64906
    3     1 S   H    _H1_     3     1.02785   111.77633   -89.71858
    4     1 S   H    _H2_     4     1.02950    80.55073    16.38773
    5     1 S   CT   _CA1     5     1.50112   127.69075   124.93299
    6     5 S   HC   _HA1     6     1.09573   105.19829    83.88742
    7     5 S   CO3  _C1_     7     1.53788   112.44773   -36.35405
    8     7 S   O2Z  _O11     8     1.26373   115.00533   -42.81117
    9     7 S   O2Z  _O12     9     1.26239   114.94690   136.31196
   10     5 S   CT   _CB1    10     1.53078   107.42125  -158.12777
   11    10 S   HC   HB11    11     1.09833   109.38048   -49.69533
   12    10 S   HC   HB12    12     1.09813   110.44652    66.91324
   13    10 S   CT   _CG1    13     1.52991   112.60265  -170.67051
   14    13 S   HC   HG11    14     1.09582   110.62782   -65.48037
   15    13 S   HC   HG12    15     1.09669   109.79398    53.75392
   16    13 S   C    _CD1    16     1.51796   112.21729   174.21396
   17    16 S   O    _OE1    17     1.22740   123.27127     6.82794
   18    16 S   N    _N2_    18     1.38654   111.66465  -173.29577
   19    18 S   H    _HN2    19     1.01570   119.03416     1.43953
   20    18 S   CT1  _CA2    20     1.46204   123.34500   177.72514
   21    20 S   HC   _HA2    21     1.09726   109.24678     1.62498
   22    20 S   C    _C2_    22     1.53541   108.46783  -113.68196
   23    22 S   O    _O2_    23     1.23038   122.41309  -147.24209
   24    20 S   CT   _CB2    32     1.53484   111.82172   123.57723
   25    24 S   HC   HB21    33     1.09542   109.62612    56.90662
   26    24 S   HC   HB22    34     1.09368   109.63740   175.45947
   27    22 S   N    _N3_    24     1.38378   113.61054    40.19287
   28    27 S   H    _HN3    25     1.01584   119.55962    -3.34334
   29    24 S   S    _SG2    35     1.83120   111.12761   -62.66351
   30    27 S   CT   _CA3    26     1.45273   123.19267   177.09552
   31    30 S   HC   HA31    27     1.09550   107.51823   -64.27446
   32    30 S   HC   HA32    28     1.09557   107.97370    52.15716
   33    29 S   CT   _C17    36     1.85765   103.02319  -148.19285
   34    33 S   HC   _H3_    37     1.09863   103.62322   174.92827
   35    30 S   CO3  _C3_    29     1.52953   114.09047   174.14509
   36    35 S   O2Z  _O31    30     1.26375   116.07665    -0.77884
   37    35 S   O2Z  _O32    31     1.26429   114.40848   179.27557
   38    33 S   CM   _C12    38     1.55404   113.39354    62.75913
   39    38 S   CMA  _C11    39     1.36502   120.37321  -155.97449
   40    39 S   OM   _O22    40     1.26142   132.06310   179.85598
   41    38 S   CT   _C24    78     1.52882   119.76662    28.84804
   42    41 S   HC   _H50    79     1.09719   111.10407  -174.02706
   43    41 S   HC   _H51    80     1.09363   110.92675   -58.93294
   44    39 S   CM   _C10    41     1.46263   118.04814    -7.55938
   45    44 S   HC   _H31    42     1.08897   119.39750  -153.38763
   46    41 S   CM   _C15    81     1.50419   112.24551    66.74143
   47    46 S   HC   _H34    82     1.08747   117.11723    57.09817
   48    44 S   CM   _C13    43     1.33784   121.67276    20.49671
   49    46 S   CM   _C14    83     1.33828   124.20382  -124.23424
   50    49 S   HC   _H32    84     1.08448   120.48955  -179.40554
   51    49 S   HC   _H33    85     1.08480   121.57142     0.62432
   52    33 S   CT   _C19    44     1.57203   113.70073   -68.39842
   53    52 S   CT   _C18    45     1.55086   118.70453   -72.67275
   54    53 S   HC   _H37    46     1.09705   109.14003   134.87556
   55    52 S   OS   _O26    73     1.44213   107.93722    53.59575
   56    53 S   CT   _C16    47     1.54280   103.49005  -108.74415
   57    56 S   HC   _H35    48     1.10023   110.47550    88.25024
   58    53 S   CT   _C20    69     1.52707   118.69475    14.53248
   59    58 S   HC   _H38    70     1.09379   112.31182   -57.07786
   60    58 S   HC   _H39    71     1.09547   110.59896  -176.70206
   61    58 S   HC   _H40    72     1.09292   111.08323    65.48606
   62    55 S   CT   _C23    74     1.41986   119.26603   159.51239
   63    62 S   HC   _H47    75     1.09395   107.64463   174.16749
   64    62 S   HC   _H48    76     1.09116   112.27449    55.71787
   65    62 S   HC   _H49    77     1.09342   111.08165   -68.45141
   66    56 S   CA   _C7_    49     1.51314   114.07296  -148.53805
   67    48 S   OS   _O23    68     1.38021   122.34249  -168.24002
   68    66 S   CA   _C4_    50     1.39900   119.86936  -103.14322
   69    68 S   HA   _H28    51     1.08772   120.33706    -0.56441
   70    68 S   CA   _C5_    52     1.39666   120.80382   179.29307
   71    70 S   HA   _H29    53     1.08552   117.64203   179.98022
   72    70 S   CA   _C8_    54     1.39798   120.39319    -0.10835
   73    72 S   CA   _C9_    55     1.40710   119.47132    -0.01978
   74    72 S   OS   _O24    63     1.37336   124.59420  -179.94766
   75    66 S   CA   _C6_    56     1.40346   121.44844    75.94034
   76    75 S   HA   _H30    57     1.08557   118.15893     0.86321
   77    73 S   OS   _O25    58     1.37389   115.85600  -179.91153
   78    74 S   CT   _C21    64     1.42222   117.31032    -0.18557
   79    78 S   HC   _H41    65     1.09430   107.73762  -179.88809
   80    78 S   HC   _H42    66     1.09495   111.14033    62.40251
   81    78 S   HC   _H43    67     1.09495   111.14960   -62.17543
   82    77 S   CT   _C22    59     1.42226   117.37522   179.79633
   83    82 S   HC   _H44    60     1.09429   107.73233  -179.83214
   84    82 S   HC   _H45    61     1.09496   111.14278    62.46937
   85    82 S   HC   _H46    62     1.09501   111.15973   -62.13215
  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   9   5   4   3
  18   7   2   1   1  14  10   4   9   4   3   7   3   4   3  10
   2   1   1  15  13   9   7  13   5   5   2   1   1   3   2   1
   1  10   2   8   4   7   3  10   9   6   3   1   4   3   2   1
   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    52    53    55    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    48    52    53    54    56    67    58    55    62    41    42    43    46  
   38    39    48    52    53    55    41  
   36    37  
   37  
    0  
   39    40    44    45    48    52    53    55    41    42    43    46    47    49  
   40    44    45    48    52    67    41    42    43    46  
   44    45    48    41  
   42    43    46    47    49    50    51    44    52  
   43    46    47    49  
   46    47    49  
   45    48    52    53    56    67    55  
   48    52    67  
   47    49    50    51  
   49    50    51  
   52    53    54    56    57    66    67    58    55    62  
   50    51  
   51  
    0  
   53    54    56    57    66    67    58    59    60    61    55    62    63    64    65  
   54    56    57    66    68    75    67    58    59    60    61    55    62  
   56    57    66    67    58    59    60    61    55  
   62    63    64    65    56    58    67  
   57    66    68    69    70    73    75    76    67    58    59    60    61  
   66    68    75    67    58  
   59    60    61    66    67  
   60    61  
   61  
    0  
   63    64    65  
   64    65  
   65  
    0  
   68    69    70    71    72    73    75    76    77    67  
   68    75  
   69    70    71    72    73    75    76    74  
   70    71    72    75  
   71    72    73    75    77    74    78  
   72    73    74  
   73    75    76    77    82    74    78    79    80    81  
   75    76    77    82    83    84    85    74    78  
   78    79    80    81    75    77  
   76    77    82  
   77  
   82    83    84    85  
   79    80    81  
   80    81  
   81  
    0  
   83    84    85  
   84    85  
   85  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760   0.016000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   56   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   67   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   74   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.030000   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    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   317.000  1.510
   33    52   268.000  1.529
   38    39   465.000  1.376
   38    41   317.000  1.510
   39    40   745.000  1.250
   39    44   465.000  1.376
   44    45   340.000  1.080
   44    48   549.000  1.340
   48    52   317.000  1.510
   48    67   440.000  1.360
   52    53   268.000  1.529
   52    55   320.000  1.410
   53    54   340.000  1.090
   53    56   268.000  1.529
   53    58   268.000  1.529
   56    57   340.000  1.090
   56    66   317.000  1.510
   56    67   320.000  1.410
   66    68   469.000  1.400
   66    75   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   469.000  1.400
   72    74   450.000  1.364
   73    75   469.000  1.400
   73    77   450.000  1.364
   75    76   367.000  1.080
   77    82   320.000  1.410
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   74    78   320.000  1.410
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   55    62   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    46   317.000  1.510
   46    47   340.000  1.080
   46    49   549.000  1.340
   49    50   340.000  1.080
   49    51   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    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  112.20000
   29    33    52    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  117.92700
   33    52    48    70.00000  112.02700
   33    52    53    58.35000  112.70000
   33    52    55    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    44    70.00000  123.01800
   38    41    42    35.00000  109.50000
   38    41    43    35.00000  109.50000
   38    41    46    70.00000  110.12100
   39    44    45    40.00000  120.50800
   39    44    48    70.00000  117.34000
   44    39    40    65.00000  137.10300
   44    48    52    70.00000  124.00000
   44    48    67    80.00000  120.01400
   48    44    45    35.00000  120.00000
   48    52    53    70.00000  112.02700
   48    52    55    85.00000  110.90400
   48    67    56    90.00000  111.18400
   52    33    34    37.50000  110.70000
   52    33    38    70.00000  112.02700
   52    53    54    37.50000  110.70000
   52    53    56    58.35000  112.70000
   52    53    58    58.35000  112.70000
   52    55    62    60.00000  109.50000
   53    56    57    37.50000  110.70000
   53    56    66    70.00000  112.17500
   53    56    67    50.00000  109.50000
   53    58    59    37.50000  110.70000
   53    58    60    37.50000  110.70000
   53    58    61    37.50000  110.70000
   56    53    54    37.50000  110.70000
   56    66    68    70.00000  120.00000
   56    66    75    70.00000  120.00000
   66    56    57    35.00000  109.50000
   66    68    69    35.00000  120.00000
   66    68    70    63.00000  120.00000
   66    75    73    63.00000  120.00000
   66    75    76    35.00000  120.00000
   68    70    71    35.00000  120.00000
   68    70    72    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    72    73    63.00000  120.00000
   70    72    74    70.00000  120.00000
   72    70    71    35.00000  120.00000
   72    73    75    63.00000  120.00000
   72    73    77    70.00000  120.00000
   72    74    78    75.00000  111.00000
   73    75    76    35.00000  120.00000
   73    77    82    75.00000  111.00000
   75    66    68    63.00000  120.00000
   77    73    75    70.00000  120.00000
   77    82    83    35.00000  109.50000
   77    82    84    35.00000  109.50000
   77    82    85    35.00000  109.50000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   74    72    73    70.00000  120.00000
   74    78    79    35.00000  109.50000
   74    78    80    35.00000  109.50000
   74    78    81    35.00000  109.50000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   67    48    52    85.00000  112.85300
   67    56    57    35.00000  109.50000
   67    56    66    85.00000  111.85700
   58    53    54    37.50000  110.70000
   58    53    56    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   55    52    53    50.00000  109.50000
   55    62    63    35.00000  109.50000
   55    62    64    35.00000  109.50000
   55    62    65    35.00000  109.50000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   41    38    39    70.00000  124.00000
   41    46    47    35.00000  117.00000
   41    46    49    70.00000  124.00000
   43    41    42    33.00000  107.80000
   46    41    42    35.00000  109.50000
   46    41    43    35.00000  109.50000
   46    49    50    35.00000  120.00000
   46    49    51    35.00000  120.00000
   49    46    47    35.00000  120.00000
   51    49    50    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    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.30250  1.0 1.0
   29    33    38    41  -0.14950 -1.0 2.0
   29    33    38    41   0.36900  1.0 3.0
   29    33    52    48   0.56750  1.0 1.0
   29    33    52    48  -0.07550 -1.0 2.0
   29    33    52    48   0.20000  1.0 3.0
   29    33    52    53   0.44750  1.0 1.0
   29    33    52    53  -0.17800 -1.0 2.0
   29    33    52    53   0.20200  1.0 3.0
   29    33    52    55   0.56750  1.0 1.0
   29    33    52    55  -0.07550 -1.0 2.0
   29    33    52    55   0.20000  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    44   7.00000 -1.0 2.0
   33    38    41    42   0.34800  1.0 3.0
   33    38    41    43   0.34800  1.0 3.0
   33    38    41    46   0.09700  1.0 1.0
   33    38    41    46   0.15600 -1.0 2.0
   33    38    41    46  -0.50800  1.0 3.0
   33    52    53    54   0.15000  1.0 3.0
   33    52    53    56   0.56750  1.0 1.0
   33    52    53    56  -0.07550 -1.0 2.0
   33    52    53    56   0.20000  1.0 3.0
   33    52    53    58   0.56750  1.0 1.0
   33    52    53    58  -0.07550 -1.0 2.0
   33    52    53    58   0.20000  1.0 3.0
   33    52    55    62   0.06250  1.0 1.0
   33    52    55    62  -0.01100 -1.0 2.0
   33    52    55    62   0.28050  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.34800  1.0 3.0
   34    33    52    48   0.15000  1.0 3.0
   34    33    52    53   0.15000  1.0 3.0
   34    33    52    55   0.23400  1.0 3.0
   38    33    52    48   0.31000  1.0 1.0
   38    33    52    48   0.14700 -1.0 2.0
   38    33    52    48   0.07550  1.0 3.0
   38    33    52    53   0.34400  1.0 1.0
   38    33    52    53   0.09450 -1.0 2.0
   38    33    52    53   0.11100  1.0 3.0
   38    33    52    55   0.61850  1.0 1.0
   38    33    52    55  -0.22750 -1.0 2.0
   38    33    52    55   0.15300  1.0 3.0
   38    39    44    45   7.00000 -1.0 2.0
   38    39   -44    48   7.00000 -1.0 2.0
   38    41    46    47   0.00000  1.0 1.0
   38    41    46    49  -0.28300  1.0 1.0
   38    41    46    49   0.26700 -1.0 2.0
   38    41    46    49  -0.63300  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   39    38    41    46  -0.28300  1.0 1.0
   39    38    41    46   0.26700 -1.0 2.0
   39    38    41    46  -0.63300  1.0 3.0
   39    44    48    52   7.00000 -1.0 2.0
   39    44    48    67   7.00000 -1.0 2.0
   40    39    44    45   7.00000 -1.0 2.0
   40    39    44    48   7.00000 -1.0 2.0
   44    48   -52    33   0.09850  1.0 1.0
   44    48   -52    33   0.15250 -1.0 2.0
   44    48   -52    33  -0.50650  1.0 3.0
   44    48    52    53   0.09850  1.0 1.0
   44    48    52    53   0.15250 -1.0 2.0
   44    48    52    53  -0.50650  1.0 3.0
   44    48    52    55   0.39000  1.0 1.0
   44    48    52    55  -0.05800 -1.0 2.0
   44    48    52    55  -0.55150  1.0 3.0
   44    48    67    56  -2.26850  1.0 1.0
   44    48    67    56   3.39050 -1.0 2.0
   45    44    48    52   7.00000 -1.0 2.0
   45    44    48    67   7.00000 -1.0 2.0
   48    52    53    54   0.15000  1.0 3.0
   48    52   -53    56   0.34400  1.0 1.0
   48    52   -53    56   0.09450 -1.0 2.0
   48    52   -53    56   0.11100  1.0 3.0
   48    52    53    58   0.34400  1.0 1.0
   48    52    53    58   0.09450 -1.0 2.0
   48    52    53    58   0.11100  1.0 3.0
   48    52    55    62  -0.77900  1.0 1.0
   48    52    55    62  -0.36900 -1.0 2.0
   48    52    55    62   0.40400  1.0 3.0
   52    33   -38    39   0.09850  1.0 1.0
   52    33   -38    39   0.15250 -1.0 2.0
   52    33   -38    39  -0.50650  1.0 3.0
   52    33    38    41   0.46850  1.0 1.0
   52    33    38    41   0.08550 -1.0 2.0
   52    33    38    41   0.09800  1.0 3.0
   52    48   -67    56   2.00000 -1.0 2.0
   52    53    56    57   0.15000  1.0 3.0
   52    53    56    66  -0.03700  1.0 1.0
   52    53    56    66   0.37200 -1.0 2.0
   52    53    56    66  -0.47300  1.0 3.0
   52    53   -56    67   0.62750  1.0 1.0
   52    53   -56    67  -0.30950 -1.0 2.0
   52    53   -56    67   0.27300  1.0 3.0
   52    53    58    59   0.15000  1.0 3.0
   52    53    58    60   0.15000  1.0 3.0
   52    53    58    61   0.15000  1.0 3.0
   52    55    62    63   0.37050  1.0 3.0
   52    55    62    64   0.37050  1.0 3.0
   52    55    62    65   0.37050  1.0 3.0
   53    52    55    62   0.06250  1.0 1.0
   53    52    55    62  -0.01100 -1.0 2.0
   53    52    55    62   0.28050  1.0 3.0
   53    56    66    68   0.04150 -1.0 2.0
   53    56    66    75   0.04150 -1.0 2.0
   53    56   -67    48  -0.46850  1.0 1.0
   53    56   -67    48   0.09300 -1.0 2.0
   53    56   -67    48  -0.12850  1.0 3.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    66   0.43200  1.0 3.0
   54    53    56    67   0.23400  1.0 3.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    60   0.15000  1.0 3.0
   54    53    58    61   0.15000  1.0 3.0
   56    53    58    59   0.15000  1.0 3.0
   56    53    58    60   0.15000  1.0 3.0
   56    53    58    61   0.15000  1.0 3.0
   56    66    68    69   3.62500 -1.0 2.0
   56    66    68    70   3.62500 -1.0 2.0
   56    66    75    73   3.62500 -1.0 2.0
   56    66    75    76   3.62500 -1.0 2.0
   57    56    66    68   0.00000  1.0 1.0
   57    56    66    75   0.00000  1.0 1.0
   57    56    67    48   0.08050  1.0 3.0
   66    56    67    48  -0.48150  1.0 1.0
   66    56    67    48   0.09250 -1.0 2.0
   66    56    67    48  -0.12850  1.0 3.0
   66    68    70    71   3.62500 -1.0 2.0
   66    68    70    72   3.62500 -1.0 2.0
   68    66    75    73   3.62500 -1.0 2.0
   68    66    75    76   3.62500 -1.0 2.0
   68    70   -72    73   3.62500 -1.0 2.0
   68    70    72    74   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    72   3.62500 -1.0 2.0
   70    72    73    75   3.62500 -1.0 2.0
   70    72    73    77   3.62500 -1.0 2.0
   70    72    74    78   1.63200 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   72    73   -75    66   3.62500 -1.0 2.0
   72    73    75    76   3.62500 -1.0 2.0
   72    73    77    82   1.63200 -1.0 2.0
   72    74    78    79   0.08050  1.0 3.0
   72    74    78    80   0.08050  1.0 3.0
   72    74    78    81   0.08050  1.0 3.0
   73    72    74    78   1.63200 -1.0 2.0
   73    77    82    83   0.08050  1.0 3.0
   73    77    82    84   0.08050  1.0 3.0
   73    77    82    85   0.08050  1.0 3.0
   75    66    68    69   3.62500 -1.0 2.0
   75    66   -68    70   3.62500 -1.0 2.0
   75    73    77    82   1.63200 -1.0 2.0
   77    73    75    66   3.62500 -1.0 2.0
   77    73    75    76   3.62500 -1.0 2.0
   74    72    73    75   3.62500 -1.0 2.0
   74    72    73    77   3.62500 -1.0 2.0
   67    48    52    33   0.09700  1.0 1.0
   67    48    52    33   0.15600 -1.0 2.0
   67    48    52    33  -0.50800  1.0 3.0
   67    48   -52    53   0.09700  1.0 1.0
   67    48   -52    53   0.15600 -1.0 2.0
   67    48   -52    53  -0.50800  1.0 3.0
   67    48    52    55   0.09700  1.0 1.0
   67    48    52    55   0.15600 -1.0 2.0
   67    48    52    55  -0.50800  1.0 3.0
   67    56    66    68   0.64500  1.0 1.0
   67    56    66    68   0.14800 -1.0 2.0
   67    56    66    68   0.20650  1.0 3.0
   67    56    66    75   0.64500  1.0 1.0
   67    56    66    75   0.14800 -1.0 2.0
   67    56    66    75   0.20650  1.0 3.0
   58    53    56    57   0.15000  1.0 3.0
   58    53    56    66  -0.03700  1.0 1.0
   58    53    56    66   0.37200 -1.0 2.0
   58    53    56    66  -0.47300  1.0 3.0
   58    53    56    67   0.62750  1.0 1.0
   58    53    56    67  -0.30950 -1.0 2.0
   58    53    56    67   0.27300  1.0 3.0
   55    52    53    54   0.23400  1.0 3.0
   55    52    53    56   0.62750  1.0 1.0
   55    52    53    56  -0.30950 -1.0 2.0
   55    52    53    56   0.27300  1.0 3.0
   55    52    53    58   0.62750  1.0 1.0
   55    52    53    58  -0.30950 -1.0 2.0
   55    52    53    58   0.27300  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    44   7.00000 -1.0 2.0
   41    46    49    50   7.00000 -1.0 2.0
   41    46    49    51   7.00000 -1.0 2.0
   42    41    46    47   0.33100  1.0 3.0
   42    41    46    49   0.00000  1.0 1.0
   43    41    46    47   0.33100  1.0 3.0
   43    41    46    49   0.00000  1.0 1.0
   47    46    49    50   7.00000 -1.0 2.0
   47    46    49    51   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
   37    30    35    36  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   44    40    39    38   1.10000 -1.0 2.0
   39    45    44    48   1.10000 -1.0 2.0
   52    67    48    44   1.10000 -1.0 2.0
   68    75    66    56   4.00000 -1.0 2.0
   70    69    68    66   1.10000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   73    74    72    70   4.00000 -1.0 2.0
   75    77    73    72   4.00000 -1.0 2.0
   73    76    75    66   1.10000 -1.0 2.0
   41    47    46    49  15.00000 -1.0 2.0
   50    51    49    46  15.00000 -1.0 2.0
END
