* LIGAND DATABASE FILE (OPLS2005)
*
001      87    87    151    221     437
    1     0 S   NP   _N1_     1    29.07371    95.31554   -27.63594
    2     1 S   H    _HN1     2     1.02948    75.96958     2.83994
    3     1 S   H    _H1_     3     1.02828    32.91832  -157.84363
    4     1 S   H    _H2_     4     1.02793   129.07516   -99.60386
    5     1 S   CT   _CA1     5     1.50120   113.12886   109.36190
    6     5 S   HC   _HA1     6     1.09576   105.17413    94.70176
    7     5 S   CO3  _C1_     7     1.53757   112.44679   -25.50222
    8     7 S   O2Z  _O11     8     1.26371   115.00887   -43.29097
    9     7 S   O2Z  _O12     9     1.26234   114.92654   135.74735
   10     5 S   CT   _CB1    10     1.53060   107.41212  -147.36004
   11    10 S   HC   HB11    11     1.09840   109.29482   -49.86783
   12    10 S   HC   HB12    12     1.09811   110.48894    66.71217
   13    10 S   CT   _CG1    13     1.53017   112.64654  -170.83085
   14    13 S   HC   HG11    14     1.09580   110.69971   -67.18098
   15    13 S   HC   HG12    15     1.09671   109.73259    52.07026
   16    13 S   C    _CD1    16     1.51810   112.05205   172.49784
   17    16 S   O    _OE1    17     1.22742   123.18930    10.20247
   18    16 S   N    _N2_    18     1.38620   111.76429  -169.68935
   19    18 S   H    _HN2    19     1.01563   118.98899     1.17236
   20    18 S   CT1  _CA2    20     1.46280   123.45399   176.96617
   21    20 S   HC   _HA2    21     1.09737   109.37447     7.58980
   22    20 S   C    _C2_    22     1.53692   108.67458  -107.99842
   23    22 S   O    _O2_    23     1.23082   122.35807  -147.38385
   24    20 S   CT   _CB2    32     1.53377   111.49782   129.69847
   25    24 S   HC   HB21    33     1.09481   109.55385    56.27884
   26    24 S   HC   HB22    34     1.09256   109.63732   174.77123
   27    22 S   N    _N3_    24     1.38351   113.80467    39.91243
   28    27 S   H    _HN3    25     1.01542   119.58726    -2.64205
   29    24 S   S    _SG2    35     1.83037   111.12340   -64.66141
   30    27 S   CT   _CA3    26     1.45277   123.27429   177.42200
   31    30 S   HC   HA31    27     1.09546   107.44468   -66.61242
   32    30 S   HC   HA32    28     1.09556   108.07328    49.84992
   33    29 S   CT   _C11    36     1.87896   101.36402  -176.88699
   34    33 S   OM   _O41    37     1.32299   110.08379  -173.85155
   35    30 S   CO3  _C3_    29     1.52976   114.06520   171.91136
   36    35 S   O2Z  _O31    30     1.26383   116.10348    -0.43115
   37    35 S   O2Z  _O32    31     1.26434   114.41689   179.64834
   38    33 S   CA   _C12    38     1.56849   109.92132   -55.98469
   39    33 S   CT   _C10    69     1.56639   106.29822    72.63032
   40    39 S   HC   _H10    70     1.09650   109.44322   -67.73573
   41    39 S   HC   _H11    71     1.10093   110.53198   174.59426
   42    38 S   CA   _C13    39     1.44255   122.44809   -57.02897
   43    39 S   CO4  _C9_    72     1.54189   119.64679    53.39965
   44    43 S   O    _O35    73     1.23000   124.36187    20.19317
   45    42 S   CA   _C14    40     1.41741   120.04887   174.59082
   46    45 S   HA   _H12    41     1.08836   119.77223  -177.34399
   47    42 S   CT   _C18    50     1.52184   125.21784    -3.46532
   48    47 S   HC   _H16    51     1.09794   107.96929   106.81002
   49    47 S   HC   _H17    52     1.08863   114.74583   -11.02144
   50    43 S   CT   _C8_    74     1.51441   115.67642  -161.22011
   51    50 S   HC   _H8_    75     1.09540   108.37462  -155.01383
   52    50 S   HC   _H9_    76     1.09508   108.40754   -38.25388
   53    45 S   CA   _C15    42     1.38474   121.39627     3.78300
   54    47 S   CO4  _C19    53     1.52156   114.42925  -132.83977
   55    54 S   O    _O38    54     1.23393   120.50412  -108.48360
   56    50 S   CO4  _C7_    77     1.51236   114.33429    83.95963
   57    56 S   O    _O34    78     1.22978   122.06917     7.33018
   58    53 S   CA   _C16    43     1.37906   120.01383    -1.18118
   59    58 S   HA   _H13    44     1.08680   119.31901   179.42461
   60    53 S   OH   _O37    48     1.36473   121.38204   178.32743
   61    60 S   HO   _H15    49     0.97277   108.40135    -4.31675
   62    54 S   CT   _C20    55     1.52920   118.21385    71.66107
   63    62 S   HC   _H18    56     1.09967   107.98730   143.73432
   64    62 S   HC   _H19    57     1.09748   107.95624    31.41868
   65    56 S   CT   _C6_    79     1.51340   115.90103  -170.83593
   66    65 S   HC   _H6_    80     1.09499   109.28571   -35.92276
   67    65 S   HC   _H7_    81     1.09507   106.96009    81.65800
   68    38 S   CA   _C17    45     1.42414   121.87791   121.57737
   69    62 S   CMA  _C21    58     1.52707   112.57722   -92.68089
   70    69 S   OM   _O40    59     1.26247   111.70488   -76.69101
   71    65 S   CO4  _C5_    82     1.51226   115.40277  -156.59264
   72    71 S   O    _O33    83     1.23028   122.44721    32.80531
   73    68 S   OH   _O36    46     1.37136   121.54192     3.67083
   74    73 S   HO   _H14    47     0.97149   109.74651   177.64283
   75    69 S   CM   _C22    60     1.35160   116.17728   103.96884
   76    75 S   HC   _H20    61     1.08692   119.45270     0.04846
   77    71 S   CT   _C4_    84     1.50621   116.50129  -150.23724
   78    77 S   HC   _H3_    85     1.09283   109.61402    60.48331
   79    77 S   HC   _H4_    86     1.09356   109.72668   179.77358
   80    77 S   HC   _H5_    87     1.09273   109.54422   -60.61571
   81    75 S   CO4  _C23    62     1.49057   124.30139  -178.01259
   82    81 S   O    _O39    63     1.22198   125.24227    -4.78479
   83    81 S   S    _S1_    64     1.76459   112.31226   175.12721
   84    83 S   CT   _C24    65     1.80532   100.06306  -164.28132
   85    84 S   HC   _H21    66     1.09321   109.28069   177.73670
   86    84 S   HC   _H22    67     1.09348   110.45825    58.41616
   87    84 S   HC   _H23    68     1.09333   110.59007   -62.90404
  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  17  10   4   3  13   7   4  11   4  10   4
   3   8   4   3   6   7   4   7   4   6   3   2   1   7   4   3
   8   4   3   2   6   3   5   4   1   1   5   3   3   2   1   1
   6   2   4   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    68    39    40    41    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    45    58    68    73    47    39    40    41    43    44    50  
   38    42    68    39    40    41    43  
   36    37  
   37  
    0  
   42    45    46    53    58    59    68    73    74    47    48    49    54    39    40    41    43  
   40    41    43    44    50    51    52    56    42    68  
   41    43    44    50  
   43    44    50  
   45    46    53    58    68    73    60    47    48    49    54    55    62  
   44    50    51    52    56    57    65  
   50    51    52    56  
   46    53    58    59    68    60    61    47    48    49    54  
   53    58    60    47  
   48    49    54    55    62    63    64    69    53    68  
   49    54    55    62  
   54    55    62  
   51    52    56    57    65    66    67    71  
   52    56    57    65  
   56    57    65  
   58    59    68    73    60    61  
   55    62    63    64    69    70    75  
   62    63    64    69  
   57    65    66    67    71    72    77  
   65    66    67    71  
   59    68    73    74    60    61  
   68    73    60  
   61    68  
    0  
   63    64    69    70    75    76    81  
   64    69    70    75  
   69    70    75  
   66    67    71    72    77    78    79    80  
   67    71    72    77  
   71    72    77  
   73    74  
   70    75    76    81    82    83  
   75    76    81  
   72    77    78    79    80  
   77    78    79    80  
   74  
    0  
   76    81    82    83    84  
   81    82    83  
   78    79    80  
   79    80  
   80  
    0  
   82    83    84    85    86    87  
   83    84  
   84    85    86    87  
   85    86    87  
   86    87  
   87  
    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  -0.175000   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   4.2000   0.3000   0.102500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   54   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   70   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   71   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.6000   0.3550  -0.219900   2.0300   1.8000   0.025682759  -1.666211680
   84   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   570.000  1.307
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    68   469.000  1.400
   42    45   469.000  1.400
   42    47   317.000  1.510
   45    46   367.000  1.080
   45    53   469.000  1.400
   53    58   469.000  1.400
   53    60   450.000  1.364
   58    59   367.000  1.080
   58    68   469.000  1.400
   68    73   450.000  1.364
   73    74   553.000  0.945
   60    61   553.000  0.945
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    54   317.000  1.522
   54    55   570.000  1.229
   54    62   317.000  1.522
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    69   270.000  1.512
   69    70   745.000  1.250
   69    75   465.000  1.376
   75    76   340.000  1.080
   75    81   320.000  1.462
   81    82   570.000  1.229
   81    83   210.000  1.799
   83    84   222.000  1.810
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    43   317.000  1.522
   43    44   570.000  1.229
   43    50   317.000  1.522
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    56   317.000  1.522
   56    57   570.000  1.229
   56    65   317.000  1.522
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    71   317.000  1.522
   71    72   570.000  1.229
   71    77   317.000  1.522
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    85.00000  114.68000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    68    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    43    63.00000  111.10000
   38    33    34    85.00000  111.85700
   38    42    45    63.00000  120.00000
   38    42    47    70.00000  120.00000
   38    68    58    63.00000  120.00000
   38    68    73    70.00000  120.00000
   42    45    46    35.00000  120.00000
   42    45    53    63.00000  120.00000
   42    47    48    35.00000  109.50000
   42    47    49    35.00000  109.50000
   42    47    54    70.00000  110.93000
   45    53    58    63.00000  120.00000
   45    53    60    70.00000  120.00000
   53    45    46    35.00000  120.00000
   53    58    59    35.00000  120.00000
   53    58    68    63.00000  120.00000
   53    60    61    35.00000  113.00000
   58    68    73    70.00000  120.00000
   68    38    42    63.00000  120.00000
   68    58    59    35.00000  120.00000
   68    73    74    35.00000  113.00000
   60    53    58    70.00000  120.00000
   47    42    45    70.00000  120.00000
   47    54    55    80.00000  120.40000
   47    54    62    70.00000  116.00000
   49    47    48    33.00000  107.80000
   54    47    48    35.00000  109.50000
   54    47    49    35.00000  109.50000
   54    62    63    35.00000  109.50000
   54    62    64    35.00000  109.50000
   54    62    69    70.00000  109.06800
   62    54    55    80.00000  120.40000
   62    69    70    85.00000  112.85300
   62    69    75    65.00000  122.18000
   64    62    63    33.00000  107.80000
   69    62    63    45.00000  110.52000
   69    62    64    45.00000  110.52000
   69    75    76    40.00000  120.50800
   69    75    81    60.00000  125.92000
   75    69    70    65.00000  137.10300
   75    81    82    80.00000  123.72100
   75    81    83    65.00000  119.00000
   81    75    76    40.00000  117.72500
   81    83    84    90.00000   96.72000
   83    81    82    80.00000  121.30200
   83    84    85    35.00000  109.50000
   83    84    86    35.00000  109.50000
   83    84    87    35.00000  109.50000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   39    33    34    50.00000  109.50000
   39    33    38    70.00000  112.17500
   39    43    44    80.00000  120.40000
   39    43    50    70.00000  116.00000
   41    39    40    33.00000  107.80000
   43    39    40    35.00000  109.50000
   43    39    41    35.00000  109.50000
   43    50    51    35.00000  109.50000
   43    50    52    35.00000  109.50000
   43    50    56    75.00000  107.99600
   50    43    44    80.00000  120.40000
   50    56    57    80.00000  120.40000
   50    56    65    70.00000  116.00000
   52    50    51    33.00000  107.80000
   56    50    51    35.00000  109.50000
   56    50    52    35.00000  109.50000
   56    65    66    35.00000  109.50000
   56    65    67    35.00000  109.50000
   56    65    71    75.00000  107.99600
   65    56    57    80.00000  120.40000
   65    71    72    80.00000  120.40000
   65    71    77    70.00000  116.00000
   67    65    66    33.00000  107.80000
   71    65    66    35.00000  109.50000
   71    65    67    35.00000  109.50000
   71    77    78    35.00000  109.50000
   71    77    79    35.00000  109.50000
   71    77    80    35.00000  109.50000
   77    71    72    80.00000  120.40000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    68  -0.16000  1.0 1.0
   29    33    38    68  -0.03200 -1.0 2.0
   29    33    38    68   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    38    42    45   3.62500 -1.0 2.0
   33    38    42    47   3.62500 -1.0 2.0
   33    38    68    58   3.62500 -1.0 2.0
   33    38    68    73   3.62500 -1.0 2.0
   33    39    43    44   0.30150 -1.0 2.0
   33    39    43    50   0.60050  1.0 1.0
   33    39    43    50   0.05600 -1.0 2.0
   33    39    43    50   0.26150  1.0 3.0
   34    33    38    42   0.64500  1.0 1.0
   34    33    38    42   0.14800 -1.0 2.0
   34    33    38    42   0.20650  1.0 3.0
   34    33    38    68   0.64500  1.0 1.0
   34    33    38    68   0.14800 -1.0 2.0
   34    33    38    68   0.20650  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    41   0.23400  1.0 3.0
   34    33    39    43  -0.09450  1.0 1.0
   34    33    39    43  -1.12950 -1.0 2.0
   34    33    39    43   0.54000  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    43   0.56750  1.0 1.0
   38    33    39    43  -0.07550 -1.0 2.0
   38    33    39    43   0.20000  1.0 3.0
   38    42    45    46   3.62500 -1.0 2.0
   38    42    45    53   3.62500 -1.0 2.0
   38    42    47    48   0.00000  1.0 1.0
   38    42    47    49   0.00000  1.0 1.0
   38    42    47    54   0.04300 -1.0 2.0
   38    68    73    74   0.84100 -1.0 2.0
   42    38    68    58   3.62500 -1.0 2.0
   42    38    68    73   3.62500 -1.0 2.0
   42    45   -53    58   3.62500 -1.0 2.0
   42    45    53    60   3.62500 -1.0 2.0
   42    47    54    55   0.30150 -1.0 2.0
   42    47    54    62   0.65300  1.0 1.0
   42    47    54    62  -0.03850 -1.0 2.0
   42    47    54    62   0.33900  1.0 3.0
   45    42    47    48   0.00000  1.0 1.0
   45    42    47    49   0.00000  1.0 1.0
   45    42    47    54   0.04300 -1.0 2.0
   45    53    58    59   3.62500 -1.0 2.0
   45    53    58    68   3.62500 -1.0 2.0
   45    53    60    61   0.84100 -1.0 2.0
   46    45    53    58   3.62500 -1.0 2.0
   46    45    53    60   3.62500 -1.0 2.0
   53    58   -68    38   3.62500 -1.0 2.0
   53    58    68    73   3.62500 -1.0 2.0
   58    53    60    61   0.84100 -1.0 2.0
   58    68    73    74   0.84100 -1.0 2.0
   59    58    68    38   3.62500 -1.0 2.0
   59    58    68    73   3.62500 -1.0 2.0
   68    38   -42    45   3.62500 -1.0 2.0
   68    38    42    47   3.62500 -1.0 2.0
   60    53    58    59   3.62500 -1.0 2.0
   60    53    58    68   3.62500 -1.0 2.0
   47    42    45    46   3.62500 -1.0 2.0
   47    42    45    53   3.62500 -1.0 2.0
   47    54    62    63   0.00000  1.0 1.0
   47    54    62    64   0.00000  1.0 1.0
   47    54    62    69   0.65300  1.0 1.0
   47    54    62    69  -0.03850 -1.0 2.0
   47    54    62    69   0.33900  1.0 3.0
   48    47    54    55   0.00000  1.0 1.0
   48    47    54    62   0.00000  1.0 1.0
   49    47    54    55   0.00000  1.0 1.0
   49    47    54    62   0.00000  1.0 1.0
   54    62    69    70   0.09700  1.0 1.0
   54    62    69    70   0.15600 -1.0 2.0
   54    62    69    70  -0.50800  1.0 3.0
   54    62    69    75  -0.51250  1.0 1.0
   54    62    69    75  -0.88800 -1.0 2.0
   54    62    69    75   0.08850  1.0 3.0
   55    54    62    63   0.00000  1.0 1.0
   55    54    62    64   0.00000  1.0 1.0
   55    54    62    69   0.30150 -1.0 2.0
   62    69    75    76   7.00000 -1.0 2.0
   62    69    75    81   7.00000 -1.0 2.0
   63    62    69    70   0.00000  1.0 1.0
   63    62    69    75   0.00000  1.0 1.0
   64    62    69    70   0.00000  1.0 1.0
   64    62    69    75   0.00000  1.0 1.0
   69    75    81    82   1.00000 -1.0 2.0
   69    75    81    83   0.50400  1.0 1.0
   69    75    81    83   1.60000 -1.0 2.0
   69    75    81    83  -0.01800  1.0 3.0
   70    69    75    76   7.00000 -1.0 2.0
   70    69    75    81   7.00000 -1.0 2.0
   75    81    83    84  -0.11550  1.0 1.0
   75    81    83    84   1.88700 -1.0 2.0
   76    75    81    82   0.00000  1.0 1.0
   76    75    81    83   0.92800 -1.0 2.0
   81    83    84    85   0.24000  1.0 3.0
   81    83    84    86   0.24000  1.0 3.0
   81    83    84    87   0.24000  1.0 3.0
   82    81    83    84  -0.11550  1.0 1.0
   82    81    83    84   1.88700 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    68   0.04150 -1.0 2.0
   39    43    50    51   0.00000  1.0 1.0
   39    43    50    52   0.00000  1.0 1.0
   39    43    50    56   0.65300  1.0 1.0
   39    43    50    56  -0.03850 -1.0 2.0
   39    43    50    56   0.33900  1.0 3.0
   40    39    43    44   0.00000  1.0 1.0
   40    39    43    50   0.00000  1.0 1.0
   41    39    43    44   0.00000  1.0 1.0
   41    39    43    50   0.00000  1.0 1.0
   43    50    56    57   0.30150 -1.0 2.0
   43    50    56    65   0.65300  1.0 1.0
   43    50    56    65  -0.03850 -1.0 2.0
   43    50    56    65   0.33900  1.0 3.0
   44    43    50    51   0.00000  1.0 1.0
   44    43    50    52   0.00000  1.0 1.0
   44    43    50    56   0.30150 -1.0 2.0
   50    56    65    66   0.00000  1.0 1.0
   50    56    65    67   0.00000  1.0 1.0
   50    56    65    71   0.65300  1.0 1.0
   50    56    65    71  -0.03850 -1.0 2.0
   50    56    65    71   0.33900  1.0 3.0
   51    50    56    57   0.00000  1.0 1.0
   51    50    56    65   0.00000  1.0 1.0
   52    50    56    57   0.00000  1.0 1.0
   52    50    56    65   0.00000  1.0 1.0
   56    65    71    72   0.30150 -1.0 2.0
   56    65    71    77   0.65300  1.0 1.0
   56    65    71    77  -0.03850 -1.0 2.0
   56    65    71    77   0.33900  1.0 3.0
   57    56    65    66   0.00000  1.0 1.0
   57    56    65    67   0.00000  1.0 1.0
   57    56    65    71   0.30150 -1.0 2.0
   65    71    77    78   0.00000  1.0 1.0
   65    71    77    79   0.00000  1.0 1.0
   65    71    77    80   0.00000  1.0 1.0
   66    65    71    72   0.00000  1.0 1.0
   66    65    71    77   0.00000  1.0 1.0
   67    65    71    72   0.00000  1.0 1.0
   67    65    71    77   0.00000  1.0 1.0
   72    71    77    78   0.00000  1.0 1.0
   72    71    77    79   0.00000  1.0 1.0
   72    71    77    80   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   42    68    38    33   4.00000 -1.0 2.0
   45    47    42    38   4.00000 -1.0 2.0
   53    46    45    42   1.10000 -1.0 2.0
   58    60    53    45   4.00000 -1.0 2.0
   68    59    58    53   1.10000 -1.0 2.0
   58    73    68    38   4.00000 -1.0 2.0
   47    62    54    55  10.50000 -1.0 2.0
   62    70    69    75  15.00000 -1.0 2.0
   81    76    75    69  15.00000 -1.0 2.0
   75    83    81    82  10.50000 -1.0 2.0
   39    50    43    44  10.50000 -1.0 2.0
   50    65    56    57  10.50000 -1.0 2.0
   65    77    71    72  10.50000 -1.0 2.0
END
