* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    145    219     421
    1     0 S   NP   _N1_     1    29.76174    93.41092   -25.34177
    2     1 S   H    _HN1     2     1.02776   116.61013   -91.31291
    3     1 S   H    _H1_     3     1.02961    85.89373    17.15017
    4     1 S   H    _H2_     4     1.02832    21.14600  -161.32830
    5     1 S   CT   _CA1     5     1.50126   119.51757   128.27431
    6     5 S   HC   _HA1     6     1.09577   105.22140    80.49669
    7     5 S   CO3  _C1_     7     1.53776   112.40387   -39.66042
    8     7 S   O2Z  _O11     8     1.26355   115.00262   -43.24855
    9     7 S   O2Z  _O12     9     1.26242   114.91697   135.89756
   10     5 S   CT   _CB1    10     1.53085   107.40455  -161.63715
   11    10 S   HC   HB11    11     1.09826   109.25790   -51.12317
   12    10 S   HC   HB12    12     1.09823   110.43415    65.38926
   13    10 S   CT   _CG1    13     1.53015   112.72892  -172.27130
   14    13 S   HC   HG11    14     1.09594   110.41630   -64.45796
   15    13 S   HC   HG12    15     1.09648   110.02826    54.80118
   16    13 S   C    _CD1    16     1.51779   112.25955   175.05011
   17    16 S   O    _OE1    17     1.22715   123.24627    -3.77325
   18    16 S   N    _N2_    18     1.38618   111.74561   176.73146
   19    18 S   H    _HN2    19     1.01582   118.96656     2.45000
   20    18 S   CT1  _CA2    20     1.46001   123.40139   179.86878
   21    20 S   HC   _HA2    21     1.09418   109.44676     1.80125
   22    20 S   C    _C2_    22     1.53300   108.37322  -112.51474
   23    22 S   O    _O2_    23     1.22975   122.37765  -137.12529
   24    20 S   CT   _CB2    32     1.53288   111.65151   124.31965
   25    24 S   HC   HB21    33     1.09683   109.45422    60.04104
   26    24 S   HC   HB22    34     1.09448   110.94689   176.59148
   27    22 S   N    _N3_    24     1.38561   113.07857    50.01551
   28    27 S   H    _HN3    25     1.01508   119.06585    -0.95100
   29    24 S   S    _SG2    35     1.83485   115.30122   -59.47031
   30    27 S   CT   _CA3    26     1.45420   123.46264   173.54172
   31    30 S   HC   HA31    27     1.09510   109.41112    23.00390
   32    30 S   HC   HA32    28     1.09494   107.16340   140.12586
   33    29 S   CT   _C13    36     1.84135   101.53946   -57.59500
   34    33 S   HC   _H4_    37     1.09174   107.61478    55.06527
   35    30 S   CO3  _C3_    29     1.52956   112.67819  -100.46420
   36    35 S   O2Z  _O31    30     1.26427   115.27075   -49.06342
   37    35 S   O2Z  _O32    31     1.26324   115.08925   131.68572
   38    33 S   CO4  _C14    38     1.51691   106.46682   167.89559
   39    38 S   O    _O33    39     1.22894   121.56732   -86.62316
   40    33 S   CT   _C12    52     1.53355   113.38186   -67.40172
   41    40 S   HC   _H3_    53     1.09707   109.39747    42.62119
   42    38 S   CA   _C15    40     1.47985   118.39588    90.79706
   43    40 S   CT   _C11    54     1.54398   112.66209   161.96017
   44    43 S   HC   _H14    55     1.09833   109.54613   170.41034
   45    43 S   HC   _H15    56     1.09417   110.72102    55.06332
   46    42 S   CA   _C16    41     1.40064   119.15962  -169.48453
   47    46 S   HA   _H16    42     1.08721   121.14160    -1.15199
   48    43 S   CM   _C10    57     1.50451   111.66264   -70.98908
   49    48 S   HC   _H13    58     1.09016   113.83327   -69.04910
   50    46 S   CA   _C17    43     1.39509   120.09460   178.25202
   51    50 S   HA   _H17    44     1.08644   119.95730  -179.80719
   52    48 S   CM   _C9_    59     1.34731   128.39472   111.06525
   53    50 S   CA   _C18    45     1.39301   120.05092    -0.06853
   54    53 S   HA   _H18    46     1.08645   119.98773  -179.90513
   55    52 S   CT   _C22    60     1.50377   124.83222    -1.34785
   56    55 S   HC   _H20    61     1.09383   110.48223   113.56143
   57    55 S   HC   _H21    62     1.09513   110.16889  -126.83381
   58    55 S   HC   _H22    63     1.09193   113.43574    -7.38153
   59    52 S   CT   _C8_    64     1.51878   119.79954  -178.49065
   60    59 S   HC   _H11    65     1.09777   108.52619   130.74930
   61    59 S   HC   _H12    66     1.09836   110.46764    15.87020
   62    53 S   CA   _C19    47     1.39505   120.04605     0.30067
   63    62 S   HA   _H19    48     1.08718   118.77632   179.42699
   64    59 S   CT   _C7_    67     1.53386   113.96808  -107.64826
   65    64 S   HC   _H9_    68     1.09318   110.47893   -57.21107
   66    64 S   HC   _H10    69     1.09764   108.29002  -172.22559
   67    42 S   CA   _C20    49     1.39540   120.98389     9.18973
   68    64 S   CM   _C6_    70     1.50475   112.37493    69.43861
   69    68 S   HC   _H8_    71     1.08997   113.76255    67.36298
   70    67 S   CO4  _C21    50     1.47863   120.96641     3.25798
   71    70 S   O    _O34    51     1.22829   120.22304  -172.36028
   72    68 S   CM   _C5_    72     1.34660   128.27189  -112.95142
   73    72 S   CT   _C4_    73     1.50599   120.31682  -179.78511
   74    73 S   HC   _H5_    74     1.09496   110.23636   120.47147
   75    73 S   HC   _H6_    75     1.09511   112.44426     0.37168
   76    73 S   HC   _H7_    76     1.09500   110.23773  -119.71497
   77    72 S   CT   _C23    77     1.50217   125.43948     0.79278
   78    77 S   HC   _H23    78     1.09526   110.00379   120.70606
   79    77 S   HC   _H24    79     1.09510   110.04577  -120.04795
   80    77 S   HC   _H25    80     1.09119   113.74024     0.47313
  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  11   4  12   7  10  10   5   4   8   4  11
   3   6   3  11   5   3   7   3   2   1   8   5   4   4   2   7
   4   3   2  10   3   1   1   8   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    70    40    41    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    46    67    70    71    40    41    43    44    45    48  
   38    39    42    70    40    41    43  
   36    37  
   37  
    0  
   39    42    46    47    50    62    67    70    40    41    43  
   42    46    67    40  
   41    43    44    45    48    49    52    42    62    67    70    71  
   43    44    45    48    67    70    71  
   46    47    50    51    53    62    63    67    70    71  
   44    45    48    49    52    55    59    67    70    71  
   45    48    49    52    70  
   48    49    52    70  
   47    50    51    53    54    62    67    70  
   50    51    53    67  
   49    52    55    56    57    58    59    60    61    64    70  
   52    55    59  
   51    53    54    62    63    67  
   53    54    62  
   55    56    57    58    59    60    61    64    65    66    68  
   54    62    63    67    70  
   62    63    67  
   56    57    58    59    60    61    64  
   57    58    59  
   58    59  
   59  
   60    61    64    65    66    68    69    72  
   61    64    65    66    68  
   64    65    66    68  
   63    67    70    71  
   67    70  
   65    66    68    69    72    73    77  
   66    68    69    72  
   68    69    72  
   70    71  
   69    72    73    74    75    76    77    78    79    80  
   72    73    77  
   71  
    0  
   73    74    75    76    77    78    79    80  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    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   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   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   340.000  1.090
   33    38   317.000  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    42   310.000  1.470
   42    46   469.000  1.400
   42    67   469.000  1.400
   46    47   367.000  1.080
   46    50   469.000  1.400
   50    51   367.000  1.080
   50    53   469.000  1.400
   53    54   367.000  1.080
   53    62   469.000  1.400
   62    63   367.000  1.080
   62    67   469.000  1.400
   67    70   310.000  1.470
   70    71   570.000  1.229
   70    40   317.000  1.522
   40    41   340.000  1.090
   40    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   317.000  1.510
   48    49   340.000  1.080
   48    52   549.000  1.340
   52    55   317.000  1.510
   52    59   317.000  1.510
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    68   317.000  1.510
   68    69   340.000  1.080
   68    72   549.000  1.340
   72    73   317.000  1.510
   72    77   317.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   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    35.00000  109.50000
   29    33    38    75.00000  110.18000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    42    65.00000  115.47100
   33    40    70    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    43    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    42    46    60.00000  119.52600
   38    42    67    60.00000  119.52600
   42    38    39    75.00000  123.78400
   42    46    47    35.00000  120.00000
   42    46    50    63.00000  120.00000
   42    67    62    63.00000  120.00000
   42    67    70    60.00000  119.52600
   46    50    51    35.00000  120.00000
   46    50    53    63.00000  120.00000
   50    46    47    35.00000  120.00000
   50    53    54    35.00000  120.00000
   50    53    62    63.00000  120.00000
   53    50    51    35.00000  120.00000
   53    62    63    35.00000  120.00000
   53    62    67    63.00000  120.00000
   62    53    54    35.00000  120.00000
   62    67    70    60.00000  119.52600
   67    42    46    63.00000  120.00000
   67    62    63    35.00000  120.00000
   67    70    71    75.00000  123.78400
   67    70    40    65.00000  115.47100
   70    40    41    35.00000  109.50000
   70    40    43    63.00000  111.10000
   40    33    34    37.50000  110.70000
   40    33    38    63.00000  111.10000
   40    70    71    80.00000  120.40000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    48    70.00000  112.02700
   43    40    41    37.50000  110.70000
   43    48    49    35.00000  117.00000
   43    48    52    70.00000  124.00000
   45    43    44    33.00000  107.80000
   48    43    44    35.00000  109.50000
   48    43    45    35.00000  109.50000
   48    52    55    70.00000  124.00000
   48    52    59    70.00000  124.00000
   52    48    49    35.00000  120.00000
   52    55    56    35.00000  109.50000
   52    55    57    35.00000  109.50000
   52    55    58    35.00000  109.50000
   52    59    60    35.00000  109.50000
   52    59    61    35.00000  109.50000
   52    59    64    70.00000  112.02700
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   59    52    55    65.00000  117.92700
   59    64    65    37.50000  110.70000
   59    64    66    37.50000  110.70000
   59    64    68    70.00000  112.02700
   61    59    60    33.00000  107.80000
   64    59    60    37.50000  110.70000
   64    59    61    37.50000  110.70000
   64    68    69    35.00000  117.00000
   64    68    72    70.00000  124.00000
   66    64    65    33.00000  107.80000
   68    64    65    35.00000  109.50000
   68    64    66    35.00000  109.50000
   68    72    73    70.00000  124.00000
   68    72    77    70.00000  124.00000
   72    68    69    35.00000  120.00000
   72    73    74    35.00000  109.50000
   72    73    75    35.00000  109.50000
   72    73    76    35.00000  109.50000
   72    77    78    35.00000  109.50000
   72    77    79    35.00000  109.50000
   72    77    80    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    72    73    65.00000  117.92700
   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   0.32350  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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.30150 -1.0 2.0
   29    33    38    42   0.65300  1.0 1.0
   29    33    38    42  -0.03850 -1.0 2.0
   29    33    38    42   0.33900  1.0 3.0
   29    33    40    70   0.56750  1.0 1.0
   29    33    40    70  -0.07550 -1.0 2.0
   29    33    40    70   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    43   0.44750  1.0 1.0
   29    33    40    43  -0.17800 -1.0 2.0
   29    33    40    43   0.20200  1.0 3.0
   33    38    42    46   2.26350  1.0 1.0
   33    38    42    46   0.76750 -1.0 2.0
   33    38    42    46   0.22500  1.0 3.0
   33    38    42    67   2.26350  1.0 1.0
   33    38    42    67   0.76750 -1.0 2.0
   33    38    42    67   0.22500  1.0 3.0
   33    40    43    44   0.15000  1.0 3.0
   33    40    43    45   0.15000  1.0 3.0
   33    40    43    48   0.34400  1.0 1.0
   33    40    43    48   0.09450 -1.0 2.0
   33    40    43    48   0.11100  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    70  -0.11250  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   38    33    40    70   0.11950  1.0 1.0
   38    33    40    70   0.20300 -1.0 2.0
   38    33    40    70  -0.70800  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    43  -0.95700  1.0 1.0
   38    33    40    43  -0.18200 -1.0 2.0
   38    33    40    43   0.29450  1.0 3.0
   38    42    46    47   3.62500 -1.0 2.0
   38    42    46    50   3.62500 -1.0 2.0
   38    42    67    62   3.62500 -1.0 2.0
   38    42   -67    70   3.62500 -1.0 2.0
   39    38    42    46   1.05000 -1.0 2.0
   39    38    42    67   1.05000 -1.0 2.0
   42    46    50    51   3.62500 -1.0 2.0
   42    46    50    53   3.62500 -1.0 2.0
   42    67    70    71   1.05000 -1.0 2.0
   42    67    70    40   2.26350  1.0 1.0
   42    67    70    40   0.76750 -1.0 2.0
   42    67    70    40   0.22500  1.0 3.0
   46    42    67    62   3.62500 -1.0 2.0
   46    42    67    70   3.62500 -1.0 2.0
   46    50    53    54   3.62500 -1.0 2.0
   46    50   -53    62   3.62500 -1.0 2.0
   47    46    50    51   3.62500 -1.0 2.0
   47    46    50    53   3.62500 -1.0 2.0
   50    53    62    63   3.62500 -1.0 2.0
   50    53    62    67   3.62500 -1.0 2.0
   51    50    53    54   3.62500 -1.0 2.0
   51    50    53    62   3.62500 -1.0 2.0
   53    62   -67    42   3.62500 -1.0 2.0
   53    62    67    70   3.62500 -1.0 2.0
   54    53    62    63   3.62500 -1.0 2.0
   54    53    62    67   3.62500 -1.0 2.0
   62    67    70    71   1.05000 -1.0 2.0
   62    67    70    40   2.26350  1.0 1.0
   62    67    70    40   0.76750 -1.0 2.0
   62    67    70    40   0.22500  1.0 3.0
   63    62    67    42   3.62500 -1.0 2.0
   63    62    67    70   3.62500 -1.0 2.0
   67    42    46    47   3.62500 -1.0 2.0
   67    42   -46    50   3.62500 -1.0 2.0
   67    70   -40    33   0.05850 -1.0 2.0
   67    70   -40    33   0.17250  1.0 3.0
   67    70    40    41   0.00000  1.0 1.0
   67    70    40    43   0.05850 -1.0 2.0
   67    70    40    43   0.17250  1.0 3.0
   70    40    43    44  -0.11250  1.0 3.0
   70    40    43    45  -0.11250  1.0 3.0
   70    40    43    48  -0.98800  1.0 1.0
   70    40    43    48   0.48800 -1.0 2.0
   70    40    43    48   0.76800  1.0 3.0
   71    70    40    33   0.30150 -1.0 2.0
   71    70    40    41   0.00000  1.0 1.0
   71    70    40    43   0.30150 -1.0 2.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33   -38    42   0.05850 -1.0 2.0
   40    33   -38    42   0.17250  1.0 3.0
   40    43    48    49   0.00000  1.0 1.0
   40    43    48    52   0.09850  1.0 1.0
   40    43    48    52   0.15250 -1.0 2.0
   40    43    48    52  -0.50650  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    45   0.15000  1.0 3.0
   41    40    43    48   0.15000  1.0 3.0
   43    48    52    55   7.00000 -1.0 2.0
   43    48    52    59   7.00000 -1.0 2.0
   44    43    48    49   0.33100  1.0 3.0
   44    43    48    52   0.00000  1.0 1.0
   45    43    48    49   0.33100  1.0 3.0
   45    43    48    52   0.00000  1.0 1.0
   48    52    55    56   0.00000  1.0 1.0
   48    52    55    57   0.00000  1.0 1.0
   48    52    55    58   0.00000  1.0 1.0
   48    52    59    60   0.00000  1.0 1.0
   48    52    59    61   0.00000  1.0 1.0
   48    52    59    64   0.09850  1.0 1.0
   48    52    59    64   0.15250 -1.0 2.0
   48    52    59    64  -0.50650  1.0 3.0
   49    48    52    55   7.00000 -1.0 2.0
   49    48    52    59   7.00000 -1.0 2.0
   52    59    64    65   0.15000  1.0 3.0
   52    59    64    66   0.15000  1.0 3.0
   52    59    64    68   0.31000  1.0 1.0
   52    59    64    68   0.14700 -1.0 2.0
   52    59    64    68   0.07550  1.0 3.0
   55    52    59    60   0.34800  1.0 3.0
   55    52    59    61   0.34800  1.0 3.0
   55    52    59    64   0.46850  1.0 1.0
   55    52    59    64   0.08550 -1.0 2.0
   55    52    59    64   0.09800  1.0 3.0
   59    52    55    56   0.34800  1.0 3.0
   59    52    55    57   0.34800  1.0 3.0
   59    52    55    58   0.34800  1.0 3.0
   59    64    68    69   0.00000  1.0 1.0
   59    64    68    72   0.09850  1.0 1.0
   59    64    68    72   0.15250 -1.0 2.0
   59    64    68    72  -0.50650  1.0 3.0
   60    59    64    65   0.15000  1.0 3.0
   60    59    64    66   0.15000  1.0 3.0
   60    59    64    68   0.15000  1.0 3.0
   61    59    64    65   0.15000  1.0 3.0
   61    59    64    66   0.15000  1.0 3.0
   61    59    64    68   0.15000  1.0 3.0
   64    68    72    73   7.00000 -1.0 2.0
   64    68    72    77   7.00000 -1.0 2.0
   65    64    68    69   0.33100  1.0 3.0
   65    64    68    72   0.00000  1.0 1.0
   66    64    68    69   0.33100  1.0 3.0
   66    64    68    72   0.00000  1.0 1.0
   68    72    73    74   0.00000  1.0 1.0
   68    72    73    75   0.00000  1.0 1.0
   68    72    73    76   0.00000  1.0 1.0
   68    72    77    78   0.00000  1.0 1.0
   68    72    77    79   0.00000  1.0 1.0
   68    72    77    80   0.00000  1.0 1.0
   69    68    72    73   7.00000 -1.0 2.0
   69    68    72    77   7.00000 -1.0 2.0
   73    72    77    78   0.34800  1.0 3.0
   73    72    77    79   0.34800  1.0 3.0
   73    72    77    80   0.34800  1.0 3.0
   77    72    73    74   0.34800  1.0 3.0
   77    72    73    75   0.34800  1.0 3.0
   77    72    73    76   0.34800  1.0 3.0
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
   33    42    38    39  10.50000 -1.0 2.0
   46    67    42    38   4.00000 -1.0 2.0
   50    47    46    42   1.10000 -1.0 2.0
   53    51    50    46   1.10000 -1.0 2.0
   62    54    53    50   1.10000 -1.0 2.0
   67    63    62    53   1.10000 -1.0 2.0
   62    70    67    42   4.00000 -1.0 2.0
   67    40    70    71  10.50000 -1.0 2.0
   43    49    48    52  15.00000 -1.0 2.0
   55    59    52    48  15.00000 -1.0 2.0
   64    69    68    72  15.00000 -1.0 2.0
   73    77    72    68  15.00000 -1.0 2.0
END
