* LIGAND DATABASE FILE (OPLS2005)
*
001      76    78    146    240     442
    1     0 S   NP   _N1_     1    29.05086    92.32200   -23.27734
    2     1 S   H    _HN1     2     1.02953    98.30634    22.25317
    3     1 S   H    _H1_     3     1.02833    14.79579   149.86010
    4     1 S   H    _H2_     4     1.02782   100.35995   -88.20443
    5     1 S   CT   _CA1     5     1.50072   125.49241   144.78745
    6     5 S   HC   _HA1     6     1.09564   105.31459    60.66515
    7     5 S   CO3  _C1_     7     1.53871   112.33137   -59.80545
    8     7 S   O2Z  _O11     8     1.26373   115.03959   -45.49958
    9     7 S   O2Z  _O12     9     1.26231   114.95861   133.89508
   10     5 S   CT   _CB1    10     1.53106   107.46481   178.77635
   11    10 S   HC   HB11    11     1.09819   109.66968   -49.19350
   12    10 S   HC   HB12    12     1.09824   110.29275    67.46257
   13    10 S   CT   _CG1    13     1.52980   112.50535  -170.21114
   14    13 S   HC   HG11    14     1.09510   110.38929   -57.97966
   15    13 S   HC   HG12    15     1.09635   110.06387    61.10251
   16    13 S   C    _CD1    16     1.51767   112.25262  -178.43802
   17    16 S   O    _OE1    17     1.22727   123.23550    -7.38769
   18    16 S   N    _N2_    18     1.38620   111.65001   172.78441
   19    18 S   H    _HN2    19     1.01592   119.10782     2.34994
   20    18 S   CT1  _CA2    20     1.46222   123.35614  -178.90353
   21    20 S   HC   _HA2    21     1.09734   109.33232    -9.65449
   22    20 S   C    _C2_    22     1.53373   108.44733  -125.24013
   23    22 S   O    _O2_    23     1.23029   122.38849  -147.95300
   24    20 S   CT   _CB2    32     1.53395   111.52094   112.31860
   25    24 S   HC   HB21    33     1.09593   109.95813    55.96159
   26    24 S   HC   HB22    34     1.09459   110.33933   174.95780
   27    22 S   N    _N3_    24     1.38371   113.47321    39.53925
   28    27 S   H    _HN3    25     1.01643   119.50702    -3.55000
   29    24 S   S    _SG2    35     1.82702   111.56317   -64.78218
   30    27 S   CT   _CA3    26     1.45285   123.09153   176.95663
   31    30 S   HC   HA31    27     1.09553   107.52862   -63.77041
   32    30 S   HC   HA32    28     1.09560   107.93796    52.62614
   33    29 S   CT   _C12    36     1.84063    99.55751   176.43218
   34    33 S   HC   _H3_    37     1.09572   109.38420   -12.19401
   35    30 S   CO3  _C3_    29     1.52924   114.16321   174.62225
   36    35 S   O2Z  _O31    30     1.26360   116.07091    -0.40494
   37    35 S   O2Z  _O32    31     1.26431   114.40629   179.64834
   38    33 S   CT   _C13    38     1.56327   110.66490   108.37663
   39    38 S   Cl   CL22    39     1.78044   116.54793   -44.88017
   40    38 S   HC   _H32    40     1.09774   107.10010  -158.68807
   41    38 S   CT   _C15    41     1.56325   106.42950    86.11920
   42    41 S   CT   _C9_    42     1.55755   104.12711    12.99267
   43    42 S   HC   _H28    43     1.09925   107.47999   -98.45190
   44    41 S   CT   _C16    71     1.53053   116.41374  -109.02560
   45    44 S   HC   _H33    72     1.09556   111.39746   -66.20555
   46    44 S   HC   _H34    73     1.09595   110.52187   176.63454
   47    44 S   HC   _H35    74     1.09389   112.27721    55.97493
   48    41 S   OH   _O19    75     1.43014   108.22522   130.33352
   49    48 S   HO   _H41    76     0.97280   107.84652    63.73141
   50    42 S   CT   _C11    44     1.52283   117.59180   139.90275
   51    50 S   HC   _H30    45     1.10027   110.02567   -57.87905
   52    50 S   CT   _C8_    46     1.51846   108.46425   179.62102
   53    52 S   HC   _H27    47     1.09983   110.41790   -55.20434
   54    52 S   CM   _C4_    48     1.48305    97.52355  -165.60779
   55    52 S   CT   _C7_    55     1.52403   110.21028    65.24775
   56    55 S   HC   _H25    56     1.09844   109.65576    57.33193
   57    55 S   HC   _H26    57     1.09402   111.04997   172.59864
   58    54 S   CO4  _C5_    49     1.49011   106.09807    33.12419
   59    58 S   O    _O16    50     1.21707   127.09388   164.92542
   60    54 S   CM   _C6_    52     1.33363   130.61686  -145.22973
   61    60 S   HC   _H23    53     1.08456   121.02878    -1.09647
   62    60 S   HC   _H24    54     1.08511   121.46394   179.04838
   63    55 S   CT   _C10    58     1.56989   110.49647   -63.02845
   64    63 S   HC   _H29    59     1.10074   105.33080   168.01745
   65    50 S   OS   _O17    51     1.42776   115.55425    63.38309
   66    33 S   CT   _C14    60     1.55935   116.84948  -138.25360
   67    63 S   CT   _C18    63     1.54664   113.03985   -76.47006
   68    67 S   HC   _H39    64     1.09408   110.81830    86.25870
   69    66 S   OH   _O18    61     1.45630   105.30180   176.36272
   70    69 S   HO   _H40    62     0.97309   107.73896   -67.20101
   71    67 S   CT   _C17    65     1.52724   115.64128   -37.34005
   72    71 S   HC   _H36    66     1.09549   110.99597   -53.09358
   73    71 S   HC   _H37    67     1.09591   110.44884  -170.90960
   74    71 S   HC   _H38    68     1.09343   111.99917    69.29291
   75    67 S   OH   _O20    69     1.43112   107.11968  -155.13975
   76    75 S   HO   _H42    70     0.97200   107.40848  -173.64572
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  17   8   2   1   1  15   6   5  15  21   9   7   3   2   1   3
   1  14   7  15   8  10  13   5   4   5   2   3   1   1  12   6
   1   6   8   6   1   1   5   3   2   1   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    66    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    63    66    69  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    50    55    63    64    66    69    70    67    44    48  
   38    39    40    41    42    63    66    69  
   36    37  
   37  
    0  
   39    40    41    42    43    50    63    66    69    44    45    46    47    48    49  
   40    41    42    66    44    48  
   41    42    66    44    48  
   42    43    50    51    52    65    63    66    69    44    45    46    47    48    49  
   43    50    51    52    53    54    58    65    55    63    64    66    69    70    67    44    45    46    47    48    49  
   50    51    52    65    63    66    69    44    48  
   45    46    47    48    49    50    66  
   46    47    48  
   47    48  
   48  
   49    50    66  
    0  
   51    52    53    54    58    59    65    60    55    56    57    63    66    69  
   52    53    54    58    65    55    66  
   53    54    58    59    65    60    61    62    55    56    57    63    64    66    67  
   54    58    65    60    55    56    57    63  
   58    59    65    60    61    62    55    56    57    63  
   56    57    63    64    66    69    67    68    71    75    58    60    65  
   57    63    64    66    67  
   63    64    66    67  
   59    65    60    61    62  
   65    60  
   61    62    65  
   62  
    0  
   64    66    69    70    67    68    71    72    73    74    75    76  
   66    69    67    68    71    75  
   66  
   69    70    67    68    71    75  
   68    71    72    73    74    75    76    69  
   71    72    73    74    75    76  
   70  
    0  
   72    73    74    75    76  
   73    74    75  
   74    75  
   75  
   76  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.097000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   40   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    66   268.000  1.529
   38    39   245.000  1.781
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   268.000  1.529
   41    44   268.000  1.529
   41    48   320.000  1.410
   42    43   340.000  1.090
   42    50   268.000  1.529
   42    66   268.000  1.529
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    65   320.000  1.410
   52    53   340.000  1.090
   52    54   317.000  1.510
   52    55   268.000  1.529
   54    58   320.000  1.462
   54    60   549.000  1.340
   58    59   570.000  1.229
   58    65   214.000  1.327
   60    61   340.000  1.080
   60    62   340.000  1.080
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    63   268.000  1.529
   63    64   340.000  1.090
   63    66   268.000  1.529
   63    67   268.000  1.529
   66    69   320.000  1.410
   69    70   553.000  0.945
   67    68   340.000  1.090
   67    71   268.000  1.529
   67    75   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   75    76   553.000  0.945
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   48    49   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    66    75.00000  111.63000
   33    38    39    69.00000  109.80000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    66    42    58.35000  112.70000
   33    66    63    58.35000  112.70000
   33    66    69    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    58.35000  112.70000
   38    41    44    58.35000  112.70000
   38    41    48    50.00000  109.50000
   40    38    39    51.00000  107.60000
   41    38    39    69.00000  109.80000
   41    38    40    37.50000  110.70000
   41    42    43    37.50000  110.70000
   41    42    50    58.35000  112.70000
   41    42    66    58.35000  112.70000
   41    44    45    37.50000  110.70000
   41    44    46    37.50000  110.70000
   41    44    47    37.50000  110.70000
   41    48    49    55.00000  108.50000
   42    50    51    37.50000  110.70000
   42    50    52    58.35000  112.70000
   42    50    65    50.00000  109.50000
   42    66    63    58.35000  112.70000
   42    66    69    50.00000  109.50000
   50    42    43    37.50000  110.70000
   50    52    53    37.50000  110.70000
   50    52    54    70.00000  112.02700
   50    52    55    58.35000  112.70000
   50    65    58    83.00000  116.90000
   52    50    51    37.50000  110.70000
   52    54    58    65.00000  116.34900
   52    54    60    70.00000  124.00000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    63    58.35000  112.70000
   54    52    53    35.00000  109.50000
   54    58    59    80.00000  123.72100
   54    58    65    90.00000  111.29400
   54    60    61    35.00000  120.00000
   54    60    62    35.00000  120.00000
   65    50    51    35.00000  109.50000
   65    50    52    50.00000  109.50000
   65    58    59    83.00000  123.40000
   60    54    58    65.00000  118.96000
   62    60    61    35.00000  117.00000
   55    52    53    37.50000  110.70000
   55    52    54    70.00000  112.02700
   55    63    64    37.50000  110.70000
   55    63    66    58.35000  112.70000
   55    63    67    58.35000  112.70000
   57    55    56    33.00000  107.80000
   63    55    56    37.50000  110.70000
   63    55    57    37.50000  110.70000
   63    66    69    50.00000  109.50000
   63    67    68    37.50000  110.70000
   63    67    71    58.35000  112.70000
   63    67    75    50.00000  109.50000
   66    33    34    37.50000  110.70000
   66    33    38    58.35000  112.70000
   66    42    43    37.50000  110.70000
   66    42    50    58.35000  112.70000
   66    63    64    37.50000  110.70000
   66    69    70    55.00000  108.50000
   67    63    64    37.50000  110.70000
   67    63    66    58.35000  112.70000
   67    71    72    37.50000  110.70000
   67    71    73    37.50000  110.70000
   67    71    74    37.50000  110.70000
   67    75    76    55.00000  108.50000
   71    67    68    37.50000  110.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   75    67    68    35.00000  109.50000
   75    67    71    50.00000  109.50000
   44    41    42    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   48    41    42    50.00000  109.50000
   48    41    44    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    66   0.01700  1.0 1.0
   24    29    33    66  -0.23550 -1.0 2.0
   24    29    33    66   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   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    66    42   0.44750  1.0 1.0
   29    33    66    42  -0.17800 -1.0 2.0
   29    33    66    42   0.20200  1.0 3.0
   29    33    66    63   0.44750  1.0 1.0
   29    33    66    63  -0.17800 -1.0 2.0
   29    33    66    63   0.20200  1.0 3.0
   29    33    66    69   0.56750  1.0 1.0
   29    33    66    69  -0.07550 -1.0 2.0
   29    33    66    69   0.20000  1.0 3.0
   33    38   -41    42   0.56750  1.0 1.0
   33    38   -41    42  -0.07550 -1.0 2.0
   33    38   -41    42   0.20000  1.0 3.0
   33    38    41    44   0.56750  1.0 1.0
   33    38    41    44  -0.07550 -1.0 2.0
   33    38    41    44   0.20000  1.0 3.0
   33    38    41    48   0.86500  1.0 1.0
   33    38    41    48  -0.17500 -1.0 2.0
   33    38    41    48   0.20800  1.0 3.0
   33    66    69    70  -0.11600  1.0 1.0
   33    66    69    70  -0.09450 -1.0 2.0
   33    66    69    70   0.21250  1.0 3.0
   34    33    38    39   0.27000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    66    42   0.15000  1.0 3.0
   34    33    66    63   0.15000  1.0 3.0
   34    33    66    69   0.23400  1.0 3.0
   38    33   -66    42   0.56750  1.0 1.0
   38    33   -66    42  -0.07550 -1.0 2.0
   38    33   -66    42   0.20000  1.0 3.0
   38    33    66    63   0.56750  1.0 1.0
   38    33    66    63  -0.07550 -1.0 2.0
   38    33    66    63   0.20000  1.0 3.0
   38    33    66    69   0.86500  1.0 1.0
   38    33    66    69  -0.17500 -1.0 2.0
   38    33    66    69   0.20800  1.0 3.0
   38    41    42    43   0.15000  1.0 3.0
   38    41    42    50   0.56750  1.0 1.0
   38    41    42    50  -0.07550 -1.0 2.0
   38    41    42    50   0.20000  1.0 3.0
   38    41   -42    66   0.56750  1.0 1.0
   38    41   -42    66  -0.07550 -1.0 2.0
   38    41   -42    66   0.20000  1.0 3.0
   38    41    44    45   0.15000  1.0 3.0
   38    41    44    46   0.15000  1.0 3.0
   38    41    44    47   0.15000  1.0 3.0
   38    41    48    49  -0.11600  1.0 1.0
   38    41    48    49  -0.09450 -1.0 2.0
   38    41    48    49   0.21250  1.0 3.0
   39    38    41    42   0.35600  1.0 1.0
   39    38    41    42  -0.14650 -1.0 2.0
   39    38    41    42   0.33350  1.0 3.0
   39    38    41    44   0.35600  1.0 1.0
   39    38    41    44  -0.14650 -1.0 2.0
   39    38    41    44   0.33350  1.0 3.0
   39    38    41    48   0.56750  1.0 1.0
   39    38    41    48  -0.07550 -1.0 2.0
   39    38    41    48   0.20000  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    44   0.15000  1.0 3.0
   40    38    41    48   0.23400  1.0 3.0
   41    42    50    51   0.15000  1.0 3.0
   41    42    50    52   0.56750  1.0 1.0
   41    42    50    52  -0.07550 -1.0 2.0
   41    42    50    52   0.20000  1.0 3.0
   41    42    50    65   0.62750  1.0 1.0
   41    42    50    65  -0.30950 -1.0 2.0
   41    42    50    65   0.27300  1.0 3.0
   41    42   -66    33   0.56750  1.0 1.0
   41    42   -66    33  -0.07550 -1.0 2.0
   41    42   -66    33   0.20000  1.0 3.0
   41    42    66    63   0.56750  1.0 1.0
   41    42    66    63  -0.07550 -1.0 2.0
   41    42    66    63   0.20000  1.0 3.0
   41    42    66    69   0.86500  1.0 1.0
   41    42    66    69  -0.17500 -1.0 2.0
   41    42    66    69   0.20800  1.0 3.0
   42    41    44    45   0.15000  1.0 3.0
   42    41    44    46   0.15000  1.0 3.0
   42    41    44    47   0.15000  1.0 3.0
   42    41    48    49  -0.11600  1.0 1.0
   42    41    48    49  -0.09450 -1.0 2.0
   42    41    48    49   0.21250  1.0 3.0
   42    50    52    53   0.15000  1.0 3.0
   42    50    52    54   0.34400  1.0 1.0
   42    50    52    54   0.09450 -1.0 2.0
   42    50    52    54   0.11100  1.0 3.0
   42    50    52    55   0.56750  1.0 1.0
   42    50    52    55  -0.07550 -1.0 2.0
   42    50    52    55   0.20000  1.0 3.0
   42    50    65    58  -0.25900  1.0 1.0
   42    50    65    58  -0.47000 -1.0 2.0
   42    50    65    58   0.11750  1.0 3.0
   42    66    69    70  -0.11600  1.0 1.0
   42    66    69    70  -0.09450 -1.0 2.0
   42    66    69    70   0.21250  1.0 3.0
   43    42    50    51   0.15000  1.0 3.0
   43    42    50    52   0.15000  1.0 3.0
   43    42    50    65   0.23400  1.0 3.0
   43    42    66    33   0.15000  1.0 3.0
   43    42    66    63   0.15000  1.0 3.0
   43    42    66    69   0.23400  1.0 3.0
   50    42    66    33   0.56750  1.0 1.0
   50    42    66    33  -0.07550 -1.0 2.0
   50    42    66    33   0.20000  1.0 3.0
   50    42    66    63   0.56750  1.0 1.0
   50    42    66    63  -0.07550 -1.0 2.0
   50    42    66    63   0.20000  1.0 3.0
   50    42    66    69   0.86500  1.0 1.0
   50    42    66    69  -0.17500 -1.0 2.0
   50    42    66    69   0.20800  1.0 3.0
   50    52   -54    58   0.09700  1.0 1.0
   50    52   -54    58   0.15600 -1.0 2.0
   50    52   -54    58  -0.50800  1.0 3.0
   50    52    54    60   0.09850  1.0 1.0
   50    52    54    60   0.15250 -1.0 2.0
   50    52    54    60  -0.50650  1.0 3.0
   50    52    55    56   0.15000  1.0 3.0
   50    52    55    57   0.15000  1.0 3.0
   50    52   -55    63   0.56750  1.0 1.0
   50    52   -55    63  -0.07550 -1.0 2.0
   50    52   -55    63   0.20000  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    55   0.15000  1.0 3.0
   51    50    65    58   0.08050  1.0 3.0
   52    50   -65    58  -0.25900  1.0 1.0
   52    50   -65    58  -0.47000 -1.0 2.0
   52    50   -65    58   0.11750  1.0 3.0
   52    54    58    59  -0.64400  1.0 1.0
   52    54    58    59   0.26850 -1.0 2.0
   52    54   -58    65  -0.15000  1.0 1.0
   52    54   -58    65   0.89550 -1.0 2.0
   52    54   -58    65  -0.06900  1.0 3.0
   52    54    60    61   7.00000 -1.0 2.0
   52    54    60    62   7.00000 -1.0 2.0
   52    55    63    64   0.15000  1.0 3.0
   52    55    63    66   0.56750  1.0 1.0
   52    55    63    66  -0.07550 -1.0 2.0
   52    55    63    66   0.20000  1.0 3.0
   52    55    63    67   0.56750  1.0 1.0
   52    55    63    67  -0.07550 -1.0 2.0
   52    55    63    67   0.20000  1.0 3.0
   53    52    54    58   0.15000  1.0 3.0
   53    52    54    60   0.00000  1.0 1.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    63   0.15000  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    63   0.34400  1.0 1.0
   54    52    55    63   0.09450 -1.0 2.0
   54    52    55    63   0.11100  1.0 3.0
   54    58   -65    50   2.00000 -1.0 2.0
   58    54    60    61   7.00000 -1.0 2.0
   58    54    60    62   7.00000 -1.0 2.0
   59    58    65    50   3.00000 -1.0 2.0
   65    50    52    53   0.23400  1.0 3.0
   65    50   -52    54   0.61850  1.0 1.0
   65    50   -52    54  -0.22750 -1.0 2.0
   65    50   -52    54   0.15300  1.0 3.0
   65    50    52    55   0.62750  1.0 1.0
   65    50    52    55  -0.30950 -1.0 2.0
   65    50    52    55   0.27300  1.0 3.0
   60    54    58    59   1.00000 -1.0 2.0
   60    54    58    65  -0.56150  1.0 1.0
   60    54    58    65   2.19150 -1.0 2.0
   55    52    54    58   0.09700  1.0 1.0
   55    52    54    58   0.15600 -1.0 2.0
   55    52    54    58  -0.50800  1.0 3.0
   55    52    54    60   0.09850  1.0 1.0
   55    52    54    60   0.15250 -1.0 2.0
   55    52    54    60  -0.50650  1.0 3.0
   55    63    66    33   0.56750  1.0 1.0
   55    63    66    33  -0.07550 -1.0 2.0
   55    63    66    33   0.20000  1.0 3.0
   55    63   -66    42   0.56750  1.0 1.0
   55    63   -66    42  -0.07550 -1.0 2.0
   55    63   -66    42   0.20000  1.0 3.0
   55    63    66    69   0.86500  1.0 1.0
   55    63    66    69  -0.17500 -1.0 2.0
   55    63    66    69   0.20800  1.0 3.0
   55    63    67    68   0.15000  1.0 3.0
   55    63    67    71   0.56750  1.0 1.0
   55    63    67    71  -0.07550 -1.0 2.0
   55    63    67    71   0.20000  1.0 3.0
   55    63    67    75   0.86500  1.0 1.0
   55    63    67    75  -0.17500 -1.0 2.0
   55    63    67    75   0.20800  1.0 3.0
   56    55    63    64   0.15000  1.0 3.0
   56    55    63    66   0.15000  1.0 3.0
   56    55    63    67   0.15000  1.0 3.0
   57    55    63    64   0.15000  1.0 3.0
   57    55    63    66   0.15000  1.0 3.0
   57    55    63    67   0.15000  1.0 3.0
   63    66    69    70  -0.11600  1.0 1.0
   63    66    69    70  -0.09450 -1.0 2.0
   63    66    69    70   0.21250  1.0 3.0
   63    67    71    72   0.15000  1.0 3.0
   63    67    71    73   0.15000  1.0 3.0
   63    67    71    74   0.15000  1.0 3.0
   63    67    75    76  -0.11600  1.0 1.0
   63    67    75    76  -0.09450 -1.0 2.0
   63    67    75    76   0.21250  1.0 3.0
   64    63    66    33   0.15000  1.0 3.0
   64    63    66    42   0.15000  1.0 3.0
   64    63    66    69   0.23400  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    71   0.15000  1.0 3.0
   64    63    67    75   0.23400  1.0 3.0
   66    33    38    39   0.35600  1.0 1.0
   66    33    38    39  -0.14650 -1.0 2.0
   66    33    38    39   0.33350  1.0 3.0
   66    33    38    40   0.15000  1.0 3.0
   66    33   -38    41   0.56750  1.0 1.0
   66    33   -38    41  -0.07550 -1.0 2.0
   66    33   -38    41   0.20000  1.0 3.0
   66    42    50    51   0.15000  1.0 3.0
   66    42   -50    52   0.56750  1.0 1.0
   66    42   -50    52  -0.07550 -1.0 2.0
   66    42   -50    52   0.20000  1.0 3.0
   66    42    50    65   0.62750  1.0 1.0
   66    42    50    65  -0.30950 -1.0 2.0
   66    42    50    65   0.27300  1.0 3.0
   66    63    67    68   0.15000  1.0 3.0
   66    63    67    71   0.56750  1.0 1.0
   66    63    67    71  -0.07550 -1.0 2.0
   66    63    67    71   0.20000  1.0 3.0
   66    63    67    75   0.86500  1.0 1.0
   66    63    67    75  -0.17500 -1.0 2.0
   66    63    67    75   0.20800  1.0 3.0
   67    63    66    33   0.56750  1.0 1.0
   67    63    66    33  -0.07550 -1.0 2.0
   67    63    66    33   0.20000  1.0 3.0
   67    63    66    42   0.56750  1.0 1.0
   67    63    66    42  -0.07550 -1.0 2.0
   67    63    66    42   0.20000  1.0 3.0
   67    63    66    69   0.86500  1.0 1.0
   67    63    66    69  -0.17500 -1.0 2.0
   67    63    66    69   0.20800  1.0 3.0
   68    67    71    72   0.15000  1.0 3.0
   68    67    71    73   0.15000  1.0 3.0
   68    67    71    74   0.15000  1.0 3.0
   68    67    75    76   0.19450  1.0 3.0
   71    67    75    76  -0.11600  1.0 1.0
   71    67    75    76  -0.09450 -1.0 2.0
   71    67    75    76   0.21250  1.0 3.0
   75    67    71    72   0.23400  1.0 3.0
   75    67    71    73   0.23400  1.0 3.0
   75    67    71    74   0.23400  1.0 3.0
   44    41    42    43   0.15000  1.0 3.0
   44    41    42    50   0.56750  1.0 1.0
   44    41    42    50  -0.07550 -1.0 2.0
   44    41    42    50   0.20000  1.0 3.0
   44    41    42    66   0.56750  1.0 1.0
   44    41    42    66  -0.07550 -1.0 2.0
   44    41    42    66   0.20000  1.0 3.0
   44    41    48    49  -0.11600  1.0 1.0
   44    41    48    49  -0.09450 -1.0 2.0
   44    41    48    49   0.21250  1.0 3.0
   48    41    42    43   0.23400  1.0 3.0
   48    41    42    50   0.86500  1.0 1.0
   48    41    42    50  -0.17500 -1.0 2.0
   48    41    42    50   0.20800  1.0 3.0
   48    41    42    66   0.86500  1.0 1.0
   48    41    42    66  -0.17500 -1.0 2.0
   48    41    42    66   0.20800  1.0 3.0
   48    41    44    45   0.23400  1.0 3.0
   48    41    44    46   0.23400  1.0 3.0
   48    41    44    47   0.23400  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   52    58    54    60   1.10000 -1.0 2.0
   54    65    58    59  10.50000 -1.0 2.0
   61    62    60    54   1.10000 -1.0 2.0
END
