* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    147    222     423
    1     0 S   NP   _N1_     1    29.01451    94.12940   -19.43905
    2     1 S   H    _HN1     2     1.02791    75.67093   -78.25816
    3     1 S   H    _H1_     3     1.02957   101.30159    27.91439
    4     1 S   H    _H2_     4     1.02845    36.79802   131.44738
    5     1 S   CT   _CA1     5     1.50067   141.69960   173.98966
    6     5 S   HC   _HA1     6     1.09567   105.35524    33.71013
    7     5 S   CO3  _C1_     7     1.53882   112.20167   -86.75935
    8     7 S   O2Z  _O11     8     1.26361   115.06107   -49.64001
    9     7 S   O2Z  _O12     9     1.26242   114.90096   129.76837
   10     5 S   CT   _CB1    10     1.53094   107.46419   151.71639
   11    10 S   HC   HB11    11     1.09817   109.67527   -50.03206
   12    10 S   HC   HB12    12     1.09836   110.27224    66.55384
   13    10 S   CT   _CG1    13     1.53023   112.54552  -171.13206
   14    13 S   HC   HG11    14     1.09474   110.31977   -55.06516
   15    13 S   HC   HG12    15     1.09598   110.28521    64.04452
   16    13 S   C    _CD1    16     1.51718   111.87126  -175.63735
   17    16 S   O    _OE1    17     1.22748   123.02125   -17.87151
   18    16 S   N    _N2_    18     1.38582   111.85286   162.61162
   19    18 S   H    _HN2    19     1.01581   119.18339     2.37116
   20    18 S   CT1  _CA2    20     1.46213   123.26173  -175.82425
   21    20 S   HC   _HA2    21     1.09727   109.37455   -14.28664
   22    20 S   C    _C2_    22     1.53343   108.44788  -130.20966
   23    22 S   O    _O2_    23     1.23011   122.24389  -145.67099
   24    20 S   CT   _CB2    32     1.53521   111.23164   107.59910
   25    24 S   HC   HB21    33     1.09594   109.56627    56.64791
   26    24 S   HC   HB22    34     1.09460   110.40248   175.52867
   27    22 S   N    _N3_    24     1.38510   113.33906    41.70093
   28    27 S   H    _HN3    25     1.01529   118.91048    -0.50706
   29    24 S   S    _SG2    35     1.82822   111.70182   -64.30840
   30    27 S   CT   _CA3    26     1.45448   123.39203   175.04093
   31    30 S   HC   HA31    27     1.09527   109.15673    25.74992
   32    30 S   HC   HA32    28     1.09492   107.13593   142.75519
   33    29 S   CT   _C21    36     1.84698    99.68209   164.13602
   34    33 S   HC   _H3_    37     1.09398   107.16544   -38.36254
   35    30 S   CO3  _C3_    29     1.52940   113.19797   -97.66254
   36    35 S   O2Z  _O31    30     1.26395   115.44647   -43.01060
   37    35 S   O2Z  _O32    31     1.26361   114.94874   137.92412
   38    33 S   CM   _C18    38     1.53479   108.09860  -156.73463
   39    38 S   CM   _C16    39     1.46661   113.76498   -83.45885
   40    39 S   HC   _H36    40     1.08661   118.27714   164.87684
   41    38 S   CM   _C20    52     1.36396   123.53307    96.38221
   42    39 S   CM   _C17    41     1.33777   124.96307   -14.40320
   43    42 S   HC   _H37    42     1.08373   121.57405   178.50041
   44    41 S   CA   _C10    53     1.48545   120.00695    -1.04305
   45    41 S   CA   _C11    69     1.48674   121.08904   178.34815
   46    42 S   CO4  _C19    43     1.47928   120.66780    -2.87181
   47    46 S   O    _O23    44     1.22956   119.68616   175.26327
   48    44 S   CA   _C4_    54     1.40018   120.29798   -90.72112
   49    48 S   HA   _H30    55     1.08740   120.76573     0.29275
   50    45 S   CA   _C5_    70     1.40107   120.13772   -79.20796
   51    50 S   HA   _H31    71     1.08743   120.63141     0.39067
   52    33 S   CT   _C22    45     1.53897   111.69827    78.49936
   53    52 S   HC   _H39    46     1.09688   109.68371   -47.89497
   54    48 S   CA   _C6_    56     1.39274   120.05605  -179.47362
   55    54 S   HA   _H32    57     1.08609   119.40429   179.62051
   56    50 S   CA   _C7_    72     1.39309   120.10034  -179.83098
   57    56 S   HA   _H33    73     1.08614   119.38622  -179.65736
   58    52 S   OS   _O28    47     1.42888   107.77151  -167.20269
   59    54 S   CA   _C12    58     1.39517   119.69346    -0.12511
   60    56 S   CA   _C13    74     1.39548   119.65383     0.43835
   61    58 S   CT   _C25    48     1.42140   113.32212   157.93714
   62    61 S   HC   _H46    49     1.09341   108.15994  -178.30073
   63    61 S   HC   _H47    50     1.09326   111.00720    62.97733
   64    61 S   HC   _H48    51     1.09418   110.55917   -59.72867
   65    59 S   CA   _C14    59     1.40040   121.21822     0.11703
   66    59 S   OH   _O24    67     1.37054   119.70515  -179.97202
   67    66 S   HO   _H49    68     0.97229   108.72001    -2.16564
   68    60 S   CA   _C15    75     1.40045   121.20340     0.27836
   69    60 S   OH   _O25    83     1.37053   119.75931  -180.00000
   70    69 S   HO   _H50    84     0.97199   108.80744    -0.00000
   71    44 S   CA   _C8_    60     1.40546   119.88933    90.02456
   72    71 S   HA   _H34    61     1.08653   118.36677    -0.51813
   73    65 S   OS   _O26    62     1.37057   116.09354  -179.88465
   74    45 S   CA   _C9_    76     1.40504   120.08521   101.71804
   75    74 S   HA   _H35    77     1.08656   118.53481    -0.87447
   76    68 S   OS   _O27    78     1.37082   116.12016   179.76344
   77    73 S   CT   _C23    63     1.42228   117.12553   179.10737
   78    77 S   HC   _H40    64     1.09428   107.74744  -179.38452
   79    77 S   HC   _H41    65     1.09498   111.12229    62.89941
   80    77 S   HC   _H42    66     1.09507   111.16403   -61.64281
   81    76 S   CT   _C24    79     1.42274   116.96591  -172.60832
   82    81 S   HC   _H43    80     1.09428   107.74417   176.13274
   83    81 S   HC   _H44    81     1.09479   111.13089    58.40984
   84    81 S   HC   _H45    82     1.09482   111.09527   -66.19519
  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
  14   7   2   1   1  15   9   4  16   6   3  12  11   5   3   8
   4   8   4   6   2   7   3   7   3   4   7   7   3   2   1   1
   9   3   1   9   3   1   3   1   4   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    46    52    53    58    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    46    47    52    53    58    61    41    44    45  
   38    39    46    52    53    58    41  
   36    37  
   37  
    0  
   39    40    42    43    46    52    53    58    41    44    48    71    45    50    74  
   40    42    43    46    47    52    41    44    45  
   42    43    46    41  
   44    48    49    54    65    71    72    45    50    51    56    68    74    75    42    52  
   43    46    47    52    53    58  
   46    47    52  
   48    49    54    55    59    65    71    72    73    45    50    74  
   50    51    56    57    60    68    74    75    76    48    71  
   47    52    53    58    61  
   52    53    58  
   49    54    55    59    65    71    72    66  
   54    55    59    71  
   51    56    57    60    68    74    75    69  
   56    57    60    74  
   53    58    61    62    63    64  
   58    61  
   55    59    65    71    73    66    67  
   59    65    66  
   57    60    68    74    76    69    70  
   60    68    69  
   61    62    63    64  
   65    71    72    73    77    66    67  
   68    74    75    76    81    69    70  
   62    63    64  
   63    64  
   64  
    0  
   71    72    73    77    78    79    80    66    67  
   67    71    73  
    0  
   74    75    76    81    82    83    84    69    70  
   70    74    76  
    0  
   72    73    77  
   73  
   77    78    79    80  
   75    76    81  
   76  
   81    82    83    84  
   78    79    80  
   79    80  
   80  
    0  
   82    83    84  
   83    84  
   84  
    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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   59   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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
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   380.000  1.444
   38    41   549.000  1.340
   39    40   340.000  1.080
   39    42   549.000  1.340
   42    43   340.000  1.080
   42    46   320.000  1.462
   46    47   570.000  1.229
   46    52   317.000  1.522
   52    53   340.000  1.090
   52    58   320.000  1.410
   58    61   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   41    44   320.000  1.460
   41    45   320.000  1.460
   44    48   469.000  1.400
   44    71   469.000  1.400
   48    49   367.000  1.080
   48    54   469.000  1.400
   54    55   367.000  1.080
   54    59   469.000  1.400
   59    65   469.000  1.400
   59    66   450.000  1.364
   65    71   469.000  1.400
   65    73   450.000  1.364
   71    72   367.000  1.080
   73    77   320.000  1.410
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   66    67   553.000  0.945
   45    50   469.000  1.400
   45    74   469.000  1.400
   50    51   367.000  1.080
   50    56   469.000  1.400
   56    57   367.000  1.080
   56    60   469.000  1.400
   60    68   469.000  1.400
   60    69   450.000  1.364
   68    74   469.000  1.400
   68    76   450.000  1.364
   74    75   367.000  1.080
   76    81   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   69    70   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  112.20000
   29    33    52    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    70.00000  124.00000
   33    52    46    63.00000  111.10000
   33    52    53    37.50000  110.70000
   33    52    58    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  120.00000
   38    39    42    70.00000  123.01800
   38    41    44    60.00000  123.20500
   38    41    45    60.00000  123.20500
   39    42    43    35.00000  120.00000
   39    42    46    65.00000  118.96000
   42    39    40    35.00000  120.00000
   42    46    47    80.00000  123.72100
   42    46    52    65.00000  118.62400
   46    42    43    40.00000  117.72500
   46    52    53    35.00000  109.50000
   46    52    58    90.00000  108.74100
   52    33    34    37.50000  110.70000
   52    33    38    70.00000  112.02700
   52    46    47    80.00000  120.40000
   52    58    61    60.00000  109.50000
   58    52    53    35.00000  109.50000
   58    61    62    35.00000  109.50000
   58    61    63    35.00000  109.50000
   58    61    64    35.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   41    38    39    70.00000  123.01800
   41    44    48    60.00000  120.93500
   41    44    71    60.00000  120.93500
   41    45    50    60.00000  120.93500
   41    45    74    60.00000  120.93500
   44    48    49    35.00000  120.00000
   44    48    54    63.00000  120.00000
   44    71    65    63.00000  120.00000
   44    71    72    35.00000  120.00000
   48    54    55    35.00000  120.00000
   48    54    59    63.00000  120.00000
   54    48    49    35.00000  120.00000
   54    59    65    63.00000  120.00000
   54    59    66    70.00000  120.00000
   59    54    55    35.00000  120.00000
   59    65    71    63.00000  120.00000
   59    65    73    70.00000  120.00000
   59    66    67    35.00000  113.00000
   65    71    72    35.00000  120.00000
   65    73    77    75.00000  111.00000
   71    44    48    63.00000  120.00000
   73    65    71    70.00000  120.00000
   73    77    78    35.00000  109.50000
   73    77    79    35.00000  109.50000
   73    77    80    35.00000  109.50000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   66    59    65    70.00000  120.00000
   45    41    44    60.00000  122.92000
   45    50    51    35.00000  120.00000
   45    50    56    63.00000  120.00000
   45    74    68    63.00000  120.00000
   45    74    75    35.00000  120.00000
   50    56    57    35.00000  120.00000
   50    56    60    63.00000  120.00000
   56    50    51    35.00000  120.00000
   56    60    68    63.00000  120.00000
   56    60    69    70.00000  120.00000
   60    56    57    35.00000  120.00000
   60    68    74    63.00000  120.00000
   60    68    76    70.00000  120.00000
   60    69    70    35.00000  113.00000
   68    74    75    35.00000  120.00000
   68    76    81    75.00000  111.00000
   74    45    50    63.00000  120.00000
   76    68    74    70.00000  120.00000
   76    81    82    35.00000  109.50000
   76    81    83    35.00000  109.50000
   76    81    84    35.00000  109.50000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   69    60    68    70.00000  120.00000
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   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    52    46   0.56750  1.0 1.0
   29    33    52    46  -0.07550 -1.0 2.0
   29    33    52    46   0.20000  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    58   0.56750  1.0 1.0
   29    33    52    58  -0.07550 -1.0 2.0
   29    33    52    58   0.20000  1.0 3.0
   33    38    39    40   0.00000  1.0 1.0
   33    38    39    42  -0.18600  1.0 3.0
   33    38    41    44   7.00000 -1.0 2.0
   33    38    41    45   7.00000 -1.0 2.0
   33    52    58    61   0.06250  1.0 1.0
   33    52    58    61  -0.01100 -1.0 2.0
   33    52    58    61   0.28050  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    52    46  -0.11250  1.0 3.0
   34    33    52    53   0.15000  1.0 3.0
   34    33    52    58   0.23400  1.0 3.0
   38    33    52    46  -0.98800  1.0 1.0
   38    33    52    46   0.48800 -1.0 2.0
   38    33    52    46   0.76800  1.0 3.0
   38    33    52    53   0.15000  1.0 3.0
   38    33    52    58   0.61850  1.0 1.0
   38    33    52    58  -0.22750 -1.0 2.0
   38    33    52    58   0.15300  1.0 3.0
   38    39    42    43   7.00000 -1.0 2.0
   38    39   -42    46   7.00000 -1.0 2.0
   38    41    44    48   0.15800  1.0 1.0
   38    41    44    48   1.85350 -1.0 2.0
   38    41    44    48  -0.48700  1.0 3.0
   38    41    44    71   0.15800  1.0 1.0
   38    41    44    71   1.85350 -1.0 2.0
   38    41    44    71  -0.48700  1.0 3.0
   38    41    45    50   0.15800  1.0 1.0
   38    41    45    50   1.85350 -1.0 2.0
   38    41    45    50  -0.48700  1.0 3.0
   38    41    45    74   0.15800  1.0 1.0
   38    41    45    74   1.85350 -1.0 2.0
   38    41    45    74  -0.48700  1.0 3.0
   39    38    41    44   7.00000 -1.0 2.0
   39    38    41    45   7.00000 -1.0 2.0
   39    42    46    47   1.00000 -1.0 2.0
   39    42    46    52  -0.33500  1.0 1.0
   39    42    46    52   1.06600 -1.0 2.0
   39    42    46    52  -0.14000  1.0 3.0
   40    39    42    43   7.00000 -1.0 2.0
   40    39    42    46   7.00000 -1.0 2.0
   42    46   -52    33   0.65300  1.0 1.0
   42    46   -52    33  -0.03850 -1.0 2.0
   42    46   -52    33   0.33900  1.0 3.0
   42    46    52    53   0.00000  1.0 1.0
   42    46    52    58   0.65300  1.0 1.0
   42    46    52    58  -0.03850 -1.0 2.0
   42    46    52    58   0.33900  1.0 3.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    52   0.04550  1.0 1.0
   43    42    46    52   0.83000 -1.0 2.0
   43    42    46    52  -0.04000  1.0 3.0
   46    52    58    61  -1.11000  1.0 1.0
   46    52    58    61   0.50250 -1.0 2.0
   46    52    58    61   0.47450  1.0 3.0
   47    46    52    33   0.30150 -1.0 2.0
   47    46    52    53   0.00000  1.0 1.0
   47    46    52    58   0.30150 -1.0 2.0
   52    33   -38    39   0.98200  1.0 1.0
   52    33   -38    39  -0.11900 -1.0 2.0
   52    33   -38    39   0.24250  1.0 3.0
   52    33    38    41   0.09850  1.0 1.0
   52    33    38    41   0.15250 -1.0 2.0
   52    33    38    41  -0.50650  1.0 3.0
   52    58    61    62   0.37050  1.0 3.0
   52    58    61    63   0.37050  1.0 3.0
   52    58    61    64   0.37050  1.0 3.0
   53    52    58    61   0.37050  1.0 3.0
   41    38    39    40  -0.18600  1.0 3.0
   41    38    39    42   0.28850  1.0 1.0
   41    38    39    42   2.61350 -1.0 2.0
   41    38    39    42   0.78400  1.0 3.0
   41    44    48    49   3.62500 -1.0 2.0
   41    44    48    54   3.62500 -1.0 2.0
   41    44    71    65   3.62500 -1.0 2.0
   41    44    71    72   3.62500 -1.0 2.0
   41    45    50    51   3.62500 -1.0 2.0
   41    45    50    56   3.62500 -1.0 2.0
   41    45    74    68   3.62500 -1.0 2.0
   41    45    74    75   3.62500 -1.0 2.0
   44    41    45    50  -0.01750  1.0 1.0
   44    41    45    50  -0.32000 -1.0 2.0
   44    41    45    50   0.00600  1.0 3.0
   44    41    45    74  -0.01750  1.0 1.0
   44    41    45    74  -0.32000 -1.0 2.0
   44    41    45    74   0.00600  1.0 3.0
   44    48    54    55   3.62500 -1.0 2.0
   44    48    54    59   3.62500 -1.0 2.0
   48    44    71    65   3.62500 -1.0 2.0
   48    44    71    72   3.62500 -1.0 2.0
   48    54   -59    65   3.62500 -1.0 2.0
   48    54    59    66   3.62500 -1.0 2.0
   49    48    54    55   3.62500 -1.0 2.0
   49    48    54    59   3.62500 -1.0 2.0
   54    59    65    71   3.62500 -1.0 2.0
   54    59    65    73   3.62500 -1.0 2.0
   54    59    66    67   0.84100 -1.0 2.0
   55    54    59    65   3.62500 -1.0 2.0
   55    54    59    66   3.62500 -1.0 2.0
   59    65   -71    44   3.62500 -1.0 2.0
   59    65    71    72   3.62500 -1.0 2.0
   59    65    73    77   1.63200 -1.0 2.0
   65    59    66    67   0.84100 -1.0 2.0
   65    73    77    78   0.08050  1.0 3.0
   65    73    77    79   0.08050  1.0 3.0
   65    73    77    80   0.08050  1.0 3.0
   71    44    48    49   3.62500 -1.0 2.0
   71    44   -48    54   3.62500 -1.0 2.0
   71    65    73    77   1.63200 -1.0 2.0
   73    65    71    44   3.62500 -1.0 2.0
   73    65    71    72   3.62500 -1.0 2.0
   66    59    65    71   3.62500 -1.0 2.0
   66    59    65    73   3.62500 -1.0 2.0
   45    41    44    48  -0.01750  1.0 1.0
   45    41    44    48  -0.32000 -1.0 2.0
   45    41    44    48   0.00600  1.0 3.0
   45    41    44    71  -0.01750  1.0 1.0
   45    41    44    71  -0.32000 -1.0 2.0
   45    41    44    71   0.00600  1.0 3.0
   45    50    56    57   3.62500 -1.0 2.0
   45    50    56    60   3.62500 -1.0 2.0
   50    45    74    68   3.62500 -1.0 2.0
   50    45    74    75   3.62500 -1.0 2.0
   50    56   -60    68   3.62500 -1.0 2.0
   50    56    60    69   3.62500 -1.0 2.0
   51    50    56    57   3.62500 -1.0 2.0
   51    50    56    60   3.62500 -1.0 2.0
   56    60    68    74   3.62500 -1.0 2.0
   56    60    68    76   3.62500 -1.0 2.0
   56    60    69    70   0.84100 -1.0 2.0
   57    56    60    68   3.62500 -1.0 2.0
   57    56    60    69   3.62500 -1.0 2.0
   60    68   -74    45   3.62500 -1.0 2.0
   60    68    74    75   3.62500 -1.0 2.0
   60    68    76    81   1.63200 -1.0 2.0
   68    60    69    70   0.84100 -1.0 2.0
   68    76    81    82   0.08050  1.0 3.0
   68    76    81    83   0.08050  1.0 3.0
   68    76    81    84   0.08050  1.0 3.0
   74    45    50    51   3.62500 -1.0 2.0
   74    45   -50    56   3.62500 -1.0 2.0
   74    68    76    81   1.63200 -1.0 2.0
   76    68    74    45   3.62500 -1.0 2.0
   76    68    74    75   3.62500 -1.0 2.0
   69    60    68    74   3.62500 -1.0 2.0
   69    60    68    76   3.62500 -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    39    38    41   1.10000 -1.0 2.0
   38    40    39    42   1.10000 -1.0 2.0
   46    43    42    39   1.10000 -1.0 2.0
   42    52    46    47  10.50000 -1.0 2.0
   44    45    41    38   1.10000 -1.0 2.0
   48    71    44    41   4.00000 -1.0 2.0
   54    49    48    44   1.10000 -1.0 2.0
   59    55    54    48   1.10000 -1.0 2.0
   65    66    59    54   4.00000 -1.0 2.0
   71    73    65    59   4.00000 -1.0 2.0
   65    72    71    44   1.10000 -1.0 2.0
   50    74    45    41   4.00000 -1.0 2.0
   56    51    50    45   1.10000 -1.0 2.0
   60    57    56    50   1.10000 -1.0 2.0
   68    69    60    56   4.00000 -1.0 2.0
   74    76    68    60   4.00000 -1.0 2.0
   68    75    74    45   1.10000 -1.0 2.0
END
