* LIGAND DATABASE FILE (OPLS2005)
*
001      76    79    150    243     447
    1     0 S   NP   _N1_     1    28.61164    94.29709   -21.91976
    2     1 S   H    _HN1     2     1.02779    95.54128   -79.43630
    3     1 S   H    _H1_     3     1.02958    88.91829    28.86580
    4     1 S   H    _H2_     4     1.02837    27.23893   161.51727
    5     1 S   CT   _CA1     5     1.50109   137.50809   148.58998
    6     5 S   HC   _HA1     6     1.09575   105.24210    65.47020
    7     5 S   CO3  _C1_     7     1.53779   112.34901   -54.75921
    8     7 S   O2Z  _O11     8     1.26357   115.00245   -45.28382
    9     7 S   O2Z  _O12     9     1.26235   114.91146   133.90090
   10     5 S   CT   _CB1    10     1.53097   107.43519  -176.63996
   11    10 S   HC   HB11    11     1.09826   109.33087   -51.03187
   12    10 S   HC   HB12    12     1.09819   110.43022    65.51041
   13    10 S   CT   _CG1    13     1.53016   112.66636  -172.12957
   14    13 S   HC   HG11    14     1.09596   110.46289   -63.80251
   15    13 S   HC   HG12    15     1.09652   109.97414    55.42619
   16    13 S   C    _CD1    16     1.51807   112.29010   175.78360
   17    16 S   O    _OE1    17     1.22743   123.27555    -1.14859
   18    16 S   N    _N2_    18     1.38666   111.67567   178.91574
   19    18 S   H    _HN2    19     1.01597   119.10380     0.66470
   20    18 S   CT1  _CA2    20     1.46092   123.19889   179.61948
   21    20 S   HC   _HA2    21     1.09742   109.18204   -10.59310
   22    20 S   C    _C2_    22     1.53450   108.74374  -125.94450
   23    22 S   O    _O2_    23     1.23029   122.15192  -147.65347
   24    20 S   CT   _CB2    32     1.53579   111.85621   111.30742
   25    24 S   HC   HB21    33     1.09516   109.78526    55.64500
   26    24 S   HC   HB22    34     1.08965   109.25953   173.94285
   27    22 S   N    _N3_    24     1.38470   113.44130    39.96245
   28    27 S   H    _HN3    25     1.01514   118.93594    -0.80818
   29    24 S   S    _SG2    35     1.82822   111.39745   -64.65303
   30    27 S   CT   _CA3    26     1.45446   123.44545   174.59996
   31    30 S   HC   HA31    27     1.09523   109.22834    24.63217
   32    30 S   HC   HA32    28     1.09492   107.12806   141.67964
   33    29 S   CT   _C14    36     1.89234   104.27340  -159.55346
   34    30 S   CO3  _C3_    29     1.52943   113.11958   -98.80323
   35    34 S   O2Z  _O31    30     1.26403   115.43543   -42.86166
   36    34 S   O2Z  _O32    31     1.26359   114.95605   138.05445
   37    33 S   CT   _C15    37     1.54508   109.36143   -37.79970
   38    37 S   HC   _H18    38     1.09111   111.68382   178.81899
   39    37 S   HC   _H19    39     1.09428   111.47594    61.68173
   40    33 S   CT   _C7_    71     1.62221   111.59489    89.80470
   41    37 S   CO4  _C16    40     1.50949   116.09891   -62.02362
   42    41 S   O    _O34    41     1.22838   121.33582   147.71301
   43    41 S   OS   _O35    42     1.35093   116.82892   -39.32900
   44    43 S   CT   _C17    43     1.43765   122.22829    29.89853
   45    44 S   HC   _H20    44     1.09618   106.80944  -156.89159
   46    44 S   HC   _H21    45     1.09523   107.30715    90.51404
   47    33 S   CT   _C13    46     1.56218   104.55018  -150.92730
   48    47 S   HC   _H5_    47     1.09917   109.91679   -57.23999
   49    47 S   CT   _C12    48     1.53832   112.08154  -175.69361
   50    49 S   HC   _H16    49     1.09516   111.76826   -63.47604
   51    49 S   HC   _H17    50     1.09765   109.43937   179.90935
   52    49 S   CT   _C11    51     1.50655   111.45574    60.56241
   53    52 S   HC   _H14    52     1.09601   110.52657    64.58140
   54    52 S   HC   _H15    53     1.09500   111.87348  -174.98929
   55    52 S   NP   _N4_    54     1.48241   111.83495   -53.89422
   56    55 S   H    _H4_    55     1.02899   103.13649   164.24488
   57    55 S   CT   _C10    56     1.51723   118.59312   -84.20830
   58    57 S   HC   _H12    57     1.09121   109.88036    40.09133
   59    57 S   HC   _H13    58     1.09420   106.96958   -79.39006
   60    57 S   CM   _C9_    59     1.49508   104.07242   161.96756
   61    60 S   HC   _H11    60     1.08112   123.25170   158.73537
   62    60 S   CM   _C8_    61     1.34229   110.67424   -11.64588
   63    62 S   CM   _C18    62     1.43245   125.67961   163.84320
   64    63 S   HC   _H22    63     1.08546   119.10911    24.93105
   65    63 S   CM   _C19    64     1.33997   120.62227  -151.85392
   66    65 S   HC   _H23    65     1.08750   118.71548   179.62780
   67    65 S   CT   _C5_    66     1.50694   124.22037     0.44057
   68    67 S   HC   _H3_    67     1.09413   107.33325  -116.30538
   69    67 S   CT   _C6_    68     1.55118   114.09331     7.22311
   70    69 S   HC   _H9_    69     1.10007   106.62505    91.33853
   71    69 S   HC   _H10    70     1.09687   109.55187  -156.65682
   72    67 S   OS   _O33    72     1.43599   106.80956   128.14088
   73    72 S   CT   _C4_    73     1.42226   113.12418   155.59020
   74    73 S   HC   _H6_    74     1.09335   108.19303  -179.54544
   75    73 S   HC   _H7_    75     1.09346   110.95112    61.63094
   76    73 S   HC   _H8_    76     1.09421   110.51171   -60.94127
  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  13   5   4   3
  26   2   1   1  13   6   5  25   6   2   6   8   4   3  10   4
   8   5   4  10   4   3  12   6   7   4   3   6   2   8   7   3
   8   4   9   5   4   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    47    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41    44    47    48    49    55    62    69    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    42    43    44    45    46    47    48    49    50    51    52    55    56    57    60    62    63    67    69    70    71    40  
   35    36  
   36  
    0  
   38    39    41    42    43    44    47    48    49    55    62    69    40  
   39    41    42    43    47    40  
   41    42    43    47    40  
   72    41    44    47    48    49    52    53    54    55    56    57    58    59    60    61    62    63    64    65    67    68    69    70    71  
   42    43    44    45    46    47  
   43    44  
   44    45    46    47    48    49  
   45    46    47    48    49    50    51    52  
   46    47    48    49  
   47    48    49  
   48    49    50    51    52    53    54    55    62    69  
   49    50    51    52  
   50    51    52    53    54    55    56    57  
   51    52    53    54    55  
   52    53    54    55  
   53    54    55    56    57    58    59    60    62    69  
   54    55    56    57  
   55    56    57  
   56    57    58    59    60    61    62    63    67    69    70    71  
   57    58    59    60    62    69  
   58    59    60    61    62    63    69  
   59    60    61    62  
   60    61    62  
   61    62    63    64    65    69  
   62    63  
   63    64    65    66    67    69    70    71  
   64    65    66    67    68    69    72  
   65    66    67  
   66    67    68    69    70    71    72    73  
   67    68    69    72  
   68    69    70    71    72    73    74    75    76  
   69    70    71    72    73  
   70    71    72    73  
   71    72  
   72  
   73    74    75    76  
   74    75    76  
   75    76  
   76  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   3.5000   0.0660   0.270000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   56   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   73   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    47   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    41   317.000  1.522
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   367.000  1.471
   55    56   434.000  1.010
   55    57   367.000  1.471
   55    40   367.000  1.471
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   317.000  1.510
   60    61   340.000  1.080
   60    62   549.000  1.340
   62    63   380.000  1.444
   62    40   317.000  1.510
   63    64   340.000  1.080
   63    65   549.000  1.340
   65    66   340.000  1.080
   65    67   317.000  1.510
   67    68   340.000  1.090
   67    69   268.000  1.529
   67    72   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    40   268.000  1.529
   72    73   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    47    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    41    63.00000  111.10000
   33    47    44    58.35000  112.70000
   33    47    48    37.50000  110.70000
   33    47    49    58.35000  112.70000
   33    40    55    80.00000  111.20000
   33    40    62    70.00000  112.02700
   33    40    69    58.35000  112.70000
   37    41    42    80.00000  120.40000
   37    41    43    81.00000  111.40000
   39    37    38    33.00000  107.80000
   41    37    38    35.00000  109.50000
   41    37    39    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    35.00000  109.50000
   43    44    47    50.00000  109.50000
   44    47    48    37.50000  110.70000
   44    47    49    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    33    37    58.35000  112.70000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    49    52    58.35000  112.70000
   49    47    48    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    80.00000  111.20000
   51    49    50    33.00000  107.80000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    55    56    35.00000  109.50000
   52    55    57    75.00000  113.01200
   52    55    40    75.00000  113.01200
   54    52    53    33.00000  107.80000
   55    52    53    35.00000  109.50000
   55    52    54    35.00000  109.50000
   55    57    58    35.00000  109.50000
   55    57    59    35.00000  109.50000
   55    57    60    75.00000  110.06800
   55    40    62    75.00000  110.06800
   55    40    69    80.00000  111.20000
   57    55    56    35.00000  109.50000
   57    60    61    35.00000  117.00000
   57    60    62    70.00000  124.00000
   59    57    58    33.00000  107.80000
   60    57    58    35.00000  109.50000
   60    57    59    35.00000  109.50000
   60    62    63    70.00000  123.01800
   60    62    40    70.00000  124.00000
   62    60    61    35.00000  120.00000
   62    63    64    35.00000  120.00000
   62    63    65    70.00000  123.01800
   62    40    69    70.00000  112.02700
   63    65    66    35.00000  120.00000
   63    65    67    70.00000  124.00000
   65    63    64    35.00000  120.00000
   65    67    68    35.00000  109.50000
   65    67    69    70.00000  112.02700
   65    67    72    85.00000  110.90400
   67    65    66    35.00000  117.00000
   67    69    70    37.50000  110.70000
   67    69    71    37.50000  110.70000
   67    69    40    58.35000  112.70000
   67    72    73    60.00000  109.50000
   69    67    68    37.50000  110.70000
   71    69    70    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    47    58.35000  112.70000
   40    55    56    35.00000  109.50000
   40    55    57    75.00000  113.01200
   40    62    63    70.00000  124.00000
   40    69    70    37.50000  110.70000
   40    69    71    37.50000  110.70000
   72    67    68    35.00000  109.50000
   72    67    69    50.00000  109.50000
   72    73    74    35.00000  109.50000
   72    73    75    35.00000  109.50000
   72    73    76    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
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    41   0.56750  1.0 1.0
   29    33    37    41  -0.07550 -1.0 2.0
   29    33    37    41   0.20000  1.0 3.0
   29    33    47    44   0.44750  1.0 1.0
   29    33    47    44  -0.17800 -1.0 2.0
   29    33    47    44   0.20200  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    49   0.44750  1.0 1.0
   29    33    47    49  -0.17800 -1.0 2.0
   29    33    47    49   0.20200  1.0 3.0
   29    33    40    55   0.56750  1.0 1.0
   29    33    40    55  -0.07550 -1.0 2.0
   29    33    40    55   0.20000  1.0 3.0
   29    33    40    62   0.56750  1.0 1.0
   29    33    40    62  -0.07550 -1.0 2.0
   29    33    40    62   0.20000  1.0 3.0
   29    33    40    69   0.44750  1.0 1.0
   29    33    40    69  -0.17800 -1.0 2.0
   29    33    40    69   0.20200  1.0 3.0
   33    37    41    42   0.30150 -1.0 2.0
   33    37    41    43   0.36750  1.0 3.0
   33    47    49    50   0.15000  1.0 3.0
   33    47    49    51   0.15000  1.0 3.0
   33    47    49    52   0.56750  1.0 1.0
   33    47    49    52  -0.07550 -1.0 2.0
   33    47    49    52   0.20000  1.0 3.0
   37    33    47    44   0.56750  1.0 1.0
   37    33    47    44  -0.07550 -1.0 2.0
   37    33    47    44   0.20000  1.0 3.0
   37    33    47    48   0.15000  1.0 3.0
   37    33    47    49   0.56750  1.0 1.0
   37    33    47    49  -0.07550 -1.0 2.0
   37    33    47    49   0.20000  1.0 3.0
   37    33    40    55   1.36600  1.0 1.0
   37    33    40    55  -0.11450 -1.0 2.0
   37    33    40    55   0.24250  1.0 3.0
   37    33    40    62   0.34400  1.0 1.0
   37    33    40    62   0.09450 -1.0 2.0
   37    33    40    62   0.11100  1.0 3.0
   37    33    40    69   0.56750  1.0 1.0
   37    33    40    69  -0.07550 -1.0 2.0
   37    33    40    69   0.20000  1.0 3.0
   37    41   -43    44   1.63150  1.0 1.0
   37    41   -43    44   2.92000 -1.0 2.0
   38    37    41    42   0.00000  1.0 1.0
   38    37    41    43   0.00000  1.0 1.0
   39    37    41    42   0.00000  1.0 1.0
   39    37    41    43   0.00000  1.0 1.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46   0.08050  1.0 3.0
   41    43    44    47  -0.25900  1.0 1.0
   41    43    44    47  -0.47000 -1.0 2.0
   41    43    44    47   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44   -47    33   0.62750  1.0 1.0
   43    44   -47    33  -0.30950 -1.0 2.0
   43    44   -47    33   0.27300  1.0 3.0
   43    44    47    48   0.23400  1.0 3.0
   43    44    47    49   0.62750  1.0 1.0
   43    44    47    49  -0.30950 -1.0 2.0
   43    44    47    49   0.27300  1.0 3.0
   44    47    49    50   0.15000  1.0 3.0
   44    47    49    51   0.15000  1.0 3.0
   44    47    49    52   0.56750  1.0 1.0
   44    47    49    52  -0.07550 -1.0 2.0
   44    47    49    52   0.20000  1.0 3.0
   45    44    47    33   0.15000  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    49   0.15000  1.0 3.0
   46    44    47    33   0.15000  1.0 3.0
   46    44    47    48   0.15000  1.0 3.0
   46    44    47    49   0.15000  1.0 3.0
   47    33    37    38   0.15000  1.0 3.0
   47    33    37    39   0.15000  1.0 3.0
   47    33   -37    41  -0.95700  1.0 1.0
   47    33   -37    41  -0.18200 -1.0 2.0
   47    33   -37    41   0.29450  1.0 3.0
   47    33    40    55   1.36600  1.0 1.0
   47    33    40    55  -0.11450 -1.0 2.0
   47    33    40    55   0.24250  1.0 3.0
   47    33    40    62   0.34400  1.0 1.0
   47    33    40    62   0.09450 -1.0 2.0
   47    33    40    62   0.11100  1.0 3.0
   47    33    40    69   0.56750  1.0 1.0
   47    33    40    69  -0.07550 -1.0 2.0
   47    33    40    69   0.20000  1.0 3.0
   47    49    52    53   0.15000  1.0 3.0
   47    49    52    54   0.15000  1.0 3.0
   47    49   -52    55   1.36600  1.0 1.0
   47    49   -52    55  -0.11450 -1.0 2.0
   47    49   -52    55   0.24250  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    52   0.15000  1.0 3.0
   49    52    55    56   0.17350  1.0 3.0
   49    52    55    57   0.47100  1.0 1.0
   49    52    55    40   0.47100  1.0 1.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    55   0.19200  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    54   0.15000  1.0 3.0
   51    49    52    55   0.19200  1.0 3.0
   52    55    57    58   0.15000  1.0 3.0
   52    55    57    59   0.15000  1.0 3.0
   52    55    57    60   0.08000 -1.0 2.0
   52    55   -40    33   0.47100  1.0 1.0
   52    55    40    62   0.08000 -1.0 2.0
   52    55    40    69   0.47100  1.0 1.0
   53    52    55    56   0.13050  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    40   0.15000  1.0 3.0
   54    52    55    56   0.13050  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    40   0.15000  1.0 3.0
   55    57    60    61   0.00000  1.0 1.0
   55    57   -60    62   0.80850  1.0 1.0
   55    57   -60    62  -0.47300 -1.0 2.0
   55    57   -60    62  -0.52300  1.0 3.0
   56    55    57    58   0.13050  1.0 3.0
   56    55    57    59   0.13050  1.0 3.0
   56    55    57    60   0.17350  1.0 3.0
   56    55    40    33   0.17350  1.0 3.0
   56    55    40    62   0.17350  1.0 3.0
   56    55    40    69   0.17350  1.0 3.0
   57    55    40    33   0.47100  1.0 1.0
   57    55   -40    62   0.08000 -1.0 2.0
   57    55    40    69   0.47100  1.0 1.0
   57    60    62    63   7.00000 -1.0 2.0
   57    60   -62    40   7.00000 -1.0 2.0
   58    57    60    61   0.33100  1.0 3.0
   58    57    60    62   0.00000  1.0 1.0
   59    57    60    61   0.33100  1.0 3.0
   59    57    60    62   0.00000  1.0 1.0
   60    62    63    64  -0.18600  1.0 3.0
   60    62    63    65   0.28850  1.0 1.0
   60    62    63    65   2.61350 -1.0 2.0
   60    62    63    65   0.78400  1.0 3.0
   60    62    40    33   0.09850  1.0 1.0
   60    62    40    33   0.15250 -1.0 2.0
   60    62    40    33  -0.50650  1.0 3.0
   60    62   -40    55   0.80850  1.0 1.0
   60    62   -40    55  -0.47300 -1.0 2.0
   60    62   -40    55  -0.52300  1.0 3.0
   60    62    40    69   0.09850  1.0 1.0
   60    62    40    69   0.15250 -1.0 2.0
   60    62    40    69  -0.50650  1.0 3.0
   61    60    62    63   7.00000 -1.0 2.0
   61    60    62    40   7.00000 -1.0 2.0
   62    63    65    66   7.00000 -1.0 2.0
   62    63    65    67   7.00000 -1.0 2.0
   63    62    40    33   0.98200  1.0 1.0
   63    62    40    33  -0.11900 -1.0 2.0
   63    62    40    33   0.24250  1.0 3.0
   63    62    40    55   0.80850  1.0 1.0
   63    62    40    55  -0.47300 -1.0 2.0
   63    62    40    55  -0.52300  1.0 3.0
   63    62    40    69   0.98200  1.0 1.0
   63    62    40    69  -0.11900 -1.0 2.0
   63    62    40    69   0.24250  1.0 3.0
   63    65    67    68   0.00000  1.0 1.0
   63    65   -67    69   0.09850  1.0 1.0
   63    65   -67    69   0.15250 -1.0 2.0
   63    65   -67    69  -0.50650  1.0 3.0
   63    65    67    72   0.39000  1.0 1.0
   63    65    67    72  -0.05800 -1.0 2.0
   63    65    67    72  -0.55150  1.0 3.0
   64    63    65    66   7.00000 -1.0 2.0
   64    63    65    67   7.00000 -1.0 2.0
   65    67    69    70   0.15000  1.0 3.0
   65    67    69    71   0.15000  1.0 3.0
   65    67    69    40   0.34400  1.0 1.0
   65    67    69    40   0.09450 -1.0 2.0
   65    67    69    40   0.11100  1.0 3.0
   65    67    72    73  -0.77900  1.0 1.0
   65    67    72    73  -0.36900 -1.0 2.0
   65    67    72    73   0.40400  1.0 3.0
   66    65    67    68   0.33100  1.0 3.0
   66    65    67    69   0.00000  1.0 1.0
   66    65    67    72   0.00000  1.0 1.0
   67    69    40    33   0.56750  1.0 1.0
   67    69    40    33  -0.07550 -1.0 2.0
   67    69    40    33   0.20000  1.0 3.0
   67    69    40    55   1.36600  1.0 1.0
   67    69    40    55  -0.11450 -1.0 2.0
   67    69    40    55   0.24250  1.0 3.0
   67    69   -40    62   0.34400  1.0 1.0
   67    69   -40    62   0.09450 -1.0 2.0
   67    69   -40    62   0.11100  1.0 3.0
   67    72    73    74   0.37050  1.0 3.0
   67    72    73    75   0.37050  1.0 3.0
   67    72    73    76   0.37050  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    71   0.15000  1.0 3.0
   68    67    69    40   0.15000  1.0 3.0
   68    67    72    73   0.37050  1.0 3.0
   69    67    72    73   0.06250  1.0 1.0
   69    67    72    73  -0.01100 -1.0 2.0
   69    67    72    73   0.28050  1.0 3.0
   70    69    40    33   0.15000  1.0 3.0
   70    69    40    55   0.19200  1.0 3.0
   70    69    40    62   0.15000  1.0 3.0
   71    69    40    33   0.15000  1.0 3.0
   71    69    40    55   0.19200  1.0 3.0
   71    69    40    62   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    41  -0.95700  1.0 1.0
   40    33    37    41  -0.18200 -1.0 2.0
   40    33    37    41   0.29450  1.0 3.0
   40    33    47    44   0.56750  1.0 1.0
   40    33    47    44  -0.07550 -1.0 2.0
   40    33    47    44   0.20000  1.0 3.0
   40    33    47    48   0.15000  1.0 3.0
   40    33   -47    49   0.56750  1.0 1.0
   40    33   -47    49  -0.07550 -1.0 2.0
   40    33   -47    49   0.20000  1.0 3.0
   40    55    57    58   0.15000  1.0 3.0
   40    55    57    59   0.15000  1.0 3.0
   40    55   -57    60   0.08000 -1.0 2.0
   40    62    63    64   0.00000  1.0 1.0
   40    62   -63    65  -0.18600  1.0 3.0
   72    67    69    70   0.23400  1.0 3.0
   72    67    69    71   0.23400  1.0 3.0
   72    67    69    40   0.62750  1.0 1.0
   72    67    69    40  -0.30950 -1.0 2.0
   72    67    69    40   0.27300  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
   35    30    34    36  10.50000 -1.0 2.0
   37    43    41    42  10.50000 -1.0 2.0
   57    61    60    62   1.10000 -1.0 2.0
   63    40    62    60   1.10000 -1.0 2.0
   62    64    63    65   1.10000 -1.0 2.0
   67    66    65    63   1.10000 -1.0 2.0
END
