* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    149    237     449
    1     0 S   NP   _N1_     1    28.81670    94.61107   -22.27994
    2     1 S   H    _HN1     2     1.02778    95.95916   -90.24471
    3     1 S   H    _H1_     3     1.02953    85.86962    17.83573
    4     1 S   H    _H2_     4     1.02830    29.77619   153.66238
    5     1 S   CT   _CA1     5     1.50127   139.42119   134.73630
    6     5 S   HC   _HA1     6     1.09558   105.24167    69.16734
    7     5 S   CO3  _C1_     7     1.53869   112.44022   -51.22359
    8     7 S   O2Z  _O11     8     1.26381   114.95012   -39.95855
    9     7 S   O2Z  _O12     9     1.26226   115.02876   139.22649
   10     5 S   CT   _CB1    10     1.53101   107.44716  -172.59143
   11    10 S   HC   HB11    11     1.09823   109.68813   -47.33073
   12    10 S   HC   HB12    12     1.09820   110.28984    69.38552
   13    10 S   CT   _CG1    13     1.52959   112.51886  -168.24220
   14    13 S   HC   HG11    14     1.09555   110.50292   -61.13100
   15    13 S   HC   HG12    15     1.09650   109.91124    58.04922
   16    13 S   C    _CD1    16     1.51788   112.34246   178.73468
   17    16 S   O    _OE1    17     1.22714   123.32050     2.66976
   18    16 S   N    _N2_    18     1.38605   111.56572  -177.98773
   19    18 S   H    _HN2    19     1.01628   118.98028     3.06561
   20    18 S   CT1  _CA2    20     1.46217   123.49049  -178.06538
   21    20 S   HC   _HA2    21     1.09728   109.41427    -7.93635
   22    20 S   C    _C2_    22     1.53376   108.47027  -123.58002
   23    22 S   O    _O2_    23     1.23030   122.35835  -148.07545
   24    20 S   CT   _CB2    32     1.53506   111.20737   114.08947
   25    24 S   HC   HB21    33     1.09341   109.44489    56.48028
   26    24 S   HC   HB22    34     1.09512   110.22346   174.86092
   27    22 S   N    _N3_    24     1.38364   113.48338    39.46710
   28    27 S   H    _HN3    25     1.01639   119.49144    -3.75009
   29    24 S   S    _SG2    35     1.83260   111.12022   -66.23036
   30    27 S   CT   _CA3    26     1.45286   123.12442   176.93880
   31    30 S   HC   HA31    27     1.09552   107.54480   -63.24761
   32    30 S   HC   HA32    28     1.09558   107.92106    53.15187
   33    29 S   CT   _C14    36     1.87316   103.21370   153.57685
   34    30 S   CO3  _C3_    29     1.52936   114.14531   175.11316
   35    34 S   O2Z  _O31    30     1.26367   116.06189    -0.96002
   36    34 S   O2Z  _O32    31     1.26431   114.41292   179.09280
   37    33 S   CT   _C13    37     1.57334   116.38512   -71.17501
   38    37 S   HC   _H6_    38     1.10057   107.18626   127.75310
   39    33 S   CT   _C10    49     1.59444   111.26590   172.14592
   40    33 S   CT   _C15    74     1.55061   104.87200    50.31201
   41    40 S   HC   _H18    75     1.09671   112.12086    48.90258
   42    40 S   HC   _H19    76     1.09531   111.95803   -72.48805
   43    40 S   HC   _H20    77     1.09082   112.77648   168.74453
   44    37 S   CT   _C12    39     1.55791   107.39952  -119.17886
   45    44 S   HC   _H5_    40     1.09484   109.95267  -147.12247
   46    44 S   CT   _C11    50     1.55063   102.25359   -30.60152
   47    46 S   HC   _H4_    51     1.09942   109.91333   162.26020
   48    39 S   CT   _C18    57     1.53727   114.31982   -84.41563
   49    48 S   HC   _H25    58     1.09316   112.99690   -57.87259
   50    48 S   HC   _H26    59     1.09617   110.86620  -177.66577
   51    48 S   HC   _H27    60     1.09550   110.90451    62.92486
   52    37 S   CO4  _C16    71     1.51034   117.93508    11.26684
   53    52 S   O    _O33    72     1.22827   123.13787   128.12659
   54    52 S   HC   _H21    73     1.09917   116.93200   -53.20738
   55    44 S   CT   _C7_    41     1.56052   117.94242    86.78098
   56    55 S   HC   _H3_    42     1.10129   105.43670  -168.10779
   57    46 S   CT   _C17    52     1.53324   112.59852   -80.77869
   58    57 S   HC   _H22    53     1.09296   111.29759   169.72272
   59    57 S   HC   _H23    54     1.09021   113.40227    45.94618
   60    55 S   CT   _C8_    43     1.54063   110.81747   -53.72350
   61    60 S   HC   _H14    44     1.09647   110.05004  -160.54276
   62    60 S   HC   _H15    45     1.09363   109.96499    83.85611
   63    57 S   OH   _O34    55     1.42747   108.48706   -72.50158
   64    63 S   HO   _H24    56     0.97250   107.03688  -179.00633
   65    55 S   CT   _C5_    61     1.56074   116.49058    76.13411
   66    65 S   HC   _H10    62     1.09325   110.18181   -74.14128
   67    60 S   CT   _C9_    46     1.53473   113.39764   -39.83397
   68    67 S   HC   _H16    47     1.09656   109.44617   166.42873
   69    67 S   HC   _H17    48     1.09999   107.25517   -80.70005
   70    65 S   CT   _C4_    63     1.53218   112.74251    46.11499
   71    70 S   HC   _H7_    64     1.09513   111.23179    54.01833
   72    70 S   HC   _H8_    65     1.09396   111.42600   -67.19091
   73    70 S   HC   _H9_    66     1.09565   110.90444   174.11051
   74    65 S   CT   _C6_    67     1.53673   111.31923   168.30669
   75    74 S   HC   _H11    68     1.09517   111.27325   -57.58130
   76    74 S   HC   _H12    69     1.09563   110.80363  -177.59466
   77    74 S   HC   _H13    70     1.09372   111.48583    63.46043
  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
  24   2   1   1  20   9  24   8   2   1   1  21   8  18   7   8
   3   2   1   3   1   1  18   8   5   3   2   9   5   4   1   1
  10   8   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    67    39    46    48    52    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    44    45    55    60    67    68    69    39    46    47    57    48    49    50    51    52    53    54    40    41    42    43  
   35    36  
   36  
    0  
   38    44    45    55    56    60    67    39    46    47    57    48    65    52    53    54    40    41    42    43  
   44    45    55    39    46    52    53    54    40  
   46    47    57    58    59    63    48    49    50    51    52    40    41    42    43    44    45    55    60    61    62    67    68    69  
   41    42    43    44    46    48    52    67  
   42    43  
   43  
    0  
   45    55    56    60    61    62    67    46    47    57    58    59    63    48    65    66    70    74    52    53    54  
   55    56    60    46    47    57    65    52  
   47    57    58    59    63    64    48    49    50    51    65    52    55    56    60    67    68    69  
   57    58    59    63    48    55    67  
   49    50    51    57    60    67    68    69  
   50    51    67  
   51    67  
   67  
   53    54    55  
   54  
    0  
   56    60    61    62    67    68    69    57    65    66    70    71    72    73    74    75    76    77  
   60    61    62    67    65    66    70    74  
   58    59    63    64    67  
   59    63    64  
   63    64  
   61    62    67    68    69    65    66    70    74  
   62    67    68    69    65  
   67    68    69    65  
   64  
    0  
   66    70    71    72    73    74    75    76    77    67  
   70    71    72    73    74    75    76    77  
   68    69  
   69  
    0  
   71    72    73    74    75    76    77  
   72    73    74  
   73    74  
   74  
   75    76    77  
   76    77  
   77  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   54   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   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    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    39   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    44   268.000  1.529
   37    52   317.000  1.522
   44    45   340.000  1.090
   44    55   268.000  1.529
   44    46   268.000  1.529
   55    56   340.000  1.090
   55    60   268.000  1.529
   55    65   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    39   268.000  1.529
   39    46   268.000  1.529
   39    48   268.000  1.529
   46    47   340.000  1.090
   46    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    63   320.000  1.410
   63    64   553.000  0.945
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   65    66   340.000  1.090
   65    70   268.000  1.529
   65    74   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   52    53   570.000  1.229
   52    54   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   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    39    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    44    58.35000  112.70000
   33    37    52    63.00000  111.10000
   33    39    67    58.35000  112.70000
   33    39    46    58.35000  112.70000
   33    39    48    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    45    37.50000  110.70000
   37    44    55    58.35000  112.70000
   37    44    46    58.35000  112.70000
   37    52    53    80.00000  120.40000
   37    52    54    35.00000  115.00000
   44    37    38    37.50000  110.70000
   44    55    56    37.50000  110.70000
   44    55    60    58.35000  112.70000
   44    55    65    58.35000  112.70000
   44    46    39    58.35000  112.70000
   44    46    47    37.50000  110.70000
   44    46    57    58.35000  112.70000
   55    44    45    37.50000  110.70000
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    67    58.35000  112.70000
   55    65    66    37.50000  110.70000
   55    65    70    58.35000  112.70000
   55    65    74    58.35000  112.70000
   60    55    56    37.50000  110.70000
   60    67    68    37.50000  110.70000
   60    67    69    37.50000  110.70000
   60    67    39    58.35000  112.70000
   62    60    61    33.00000  107.80000
   67    60    61    37.50000  110.70000
   67    60    62    37.50000  110.70000
   67    39    46    58.35000  112.70000
   67    39    48    58.35000  112.70000
   69    67    68    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    67    68    37.50000  110.70000
   39    67    69    37.50000  110.70000
   39    46    47    37.50000  110.70000
   39    46    57    58.35000  112.70000
   39    48    49    37.50000  110.70000
   39    48    50    37.50000  110.70000
   39    48    51    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    44    55    58.35000  112.70000
   46    57    58    37.50000  110.70000
   46    57    59    37.50000  110.70000
   46    57    63    50.00000  109.50000
   57    46    47    37.50000  110.70000
   57    63    64    55.00000  108.50000
   59    57    58    33.00000  107.80000
   63    57    58    35.00000  109.50000
   63    57    59    35.00000  109.50000
   48    39    46    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   65    55    56    37.50000  110.70000
   65    55    60    58.35000  112.70000
   65    70    71    37.50000  110.70000
   65    70    72    37.50000  110.70000
   65    70    73    37.50000  110.70000
   65    74    75    37.50000  110.70000
   65    74    76    37.50000  110.70000
   65    74    77    37.50000  110.70000
   70    65    66    37.50000  110.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   74    65    66    37.50000  110.70000
   74    65    70    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   52    37    38    35.00000  109.50000
   52    37    44    63.00000  111.10000
   54    52    53    35.00000  123.00000
   40    33    37    58.35000  112.70000
   40    33    39    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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    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
   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    44   0.44750  1.0 1.0
   29    33    37    44  -0.17800 -1.0 2.0
   29    33    37    44   0.20200  1.0 3.0
   29    33    37    52   0.56750  1.0 1.0
   29    33    37    52  -0.07550 -1.0 2.0
   29    33    37    52   0.20000  1.0 3.0
   29    33    39    67   0.44750  1.0 1.0
   29    33    39    67  -0.17800 -1.0 2.0
   29    33    39    67   0.20200  1.0 3.0
   29    33    39    46   0.44750  1.0 1.0
   29    33    39    46  -0.17800 -1.0 2.0
   29    33    39    46   0.20200  1.0 3.0
   29    33    39    48   0.44750  1.0 1.0
   29    33    39    48  -0.17800 -1.0 2.0
   29    33    39    48   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    37    44    45   0.15000  1.0 3.0
   33    37    44    55   0.56750  1.0 1.0
   33    37    44    55  -0.07550 -1.0 2.0
   33    37    44    55   0.20000  1.0 3.0
   33    37   -44    46   0.56750  1.0 1.0
   33    37   -44    46  -0.07550 -1.0 2.0
   33    37   -44    46   0.20000  1.0 3.0
   33    37    52    53   0.30150 -1.0 2.0
   33    37    52    54   0.74550  1.0 1.0
   33    37    52    54  -0.00500 -1.0 2.0
   33    39   -46    44   0.56750  1.0 1.0
   33    39   -46    44  -0.07550 -1.0 2.0
   33    39   -46    44   0.20000  1.0 3.0
   33    39    46    47   0.15000  1.0 3.0
   33    39    46    57   0.56750  1.0 1.0
   33    39    46    57  -0.07550 -1.0 2.0
   33    39    46    57   0.20000  1.0 3.0
   33    39    48    49   0.15000  1.0 3.0
   33    39    48    50   0.15000  1.0 3.0
   33    39    48    51   0.15000  1.0 3.0
   37    33    39    67   0.56750  1.0 1.0
   37    33    39    67  -0.07550 -1.0 2.0
   37    33    39    67   0.20000  1.0 3.0
   37    33   -39    46   0.56750  1.0 1.0
   37    33   -39    46  -0.07550 -1.0 2.0
   37    33   -39    46   0.20000  1.0 3.0
   37    33    39    48   0.56750  1.0 1.0
   37    33    39    48  -0.07550 -1.0 2.0
   37    33    39    48   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    43   0.15000  1.0 3.0
   37    44    55    56   0.15000  1.0 3.0
   37    44    55    60   0.56750  1.0 1.0
   37    44    55    60  -0.07550 -1.0 2.0
   37    44    55    60   0.20000  1.0 3.0
   37    44    55    65   0.56750  1.0 1.0
   37    44    55    65  -0.07550 -1.0 2.0
   37    44    55    65   0.20000  1.0 3.0
   37    44   -46    39   0.56750  1.0 1.0
   37    44   -46    39  -0.07550 -1.0 2.0
   37    44   -46    39   0.20000  1.0 3.0
   37    44    46    47   0.15000  1.0 3.0
   37    44    46    57   0.56750  1.0 1.0
   37    44    46    57  -0.07550 -1.0 2.0
   37    44    46    57   0.20000  1.0 3.0
   38    37    44    45   0.15000  1.0 3.0
   38    37    44    55   0.15000  1.0 3.0
   38    37    44    46   0.15000  1.0 3.0
   38    37    52    53   0.00000  1.0 1.0
   38    37    52    54   0.00000  1.0 1.0
   44    37    52    53   0.30150 -1.0 2.0
   44    37    52    54   0.74550  1.0 1.0
   44    37    52    54  -0.00500 -1.0 2.0
   44    55    60    61   0.15000  1.0 3.0
   44    55    60    62   0.15000  1.0 3.0
   44    55    60    67   0.56750  1.0 1.0
   44    55    60    67  -0.07550 -1.0 2.0
   44    55    60    67   0.20000  1.0 3.0
   44    55    65    66   0.15000  1.0 3.0
   44    55    65    70   0.56750  1.0 1.0
   44    55    65    70  -0.07550 -1.0 2.0
   44    55    65    70   0.20000  1.0 3.0
   44    55    65    74   0.56750  1.0 1.0
   44    55    65    74  -0.07550 -1.0 2.0
   44    55    65    74   0.20000  1.0 3.0
   44    46    57    58   0.15000  1.0 3.0
   44    46    57    59   0.15000  1.0 3.0
   44    46    57    63   0.86500  1.0 1.0
   44    46    57    63  -0.17500 -1.0 2.0
   44    46    57    63   0.20800  1.0 3.0
   45    44    55    56   0.15000  1.0 3.0
   45    44    55    60   0.15000  1.0 3.0
   45    44    55    65   0.15000  1.0 3.0
   45    44    46    39   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    57   0.15000  1.0 3.0
   55    44    46    39   0.56750  1.0 1.0
   55    44    46    39  -0.07550 -1.0 2.0
   55    44    46    39   0.20000  1.0 3.0
   55    44    46    47   0.15000  1.0 3.0
   55    44    46    57   0.56750  1.0 1.0
   55    44    46    57  -0.07550 -1.0 2.0
   55    44    46    57   0.20000  1.0 3.0
   55    60    67    68   0.15000  1.0 3.0
   55    60    67    69   0.15000  1.0 3.0
   55    60   -67    39   0.56750  1.0 1.0
   55    60   -67    39  -0.07550 -1.0 2.0
   55    60   -67    39   0.20000  1.0 3.0
   55    65    70    71   0.15000  1.0 3.0
   55    65    70    72   0.15000  1.0 3.0
   55    65    70    73   0.15000  1.0 3.0
   55    65    74    75   0.15000  1.0 3.0
   55    65    74    76   0.15000  1.0 3.0
   55    65    74    77   0.15000  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    62   0.15000  1.0 3.0
   56    55    60    67   0.15000  1.0 3.0
   56    55    65    66   0.15000  1.0 3.0
   56    55    65    70   0.15000  1.0 3.0
   56    55    65    74   0.15000  1.0 3.0
   60    55    65    66   0.15000  1.0 3.0
   60    55    65    70   0.56750  1.0 1.0
   60    55    65    70  -0.07550 -1.0 2.0
   60    55    65    70   0.20000  1.0 3.0
   60    55    65    74   0.56750  1.0 1.0
   60    55    65    74  -0.07550 -1.0 2.0
   60    55    65    74   0.20000  1.0 3.0
   60    67    39    33   0.56750  1.0 1.0
   60    67    39    33  -0.07550 -1.0 2.0
   60    67    39    33   0.20000  1.0 3.0
   60    67    39    46   0.56750  1.0 1.0
   60    67    39    46  -0.07550 -1.0 2.0
   60    67    39    46   0.20000  1.0 3.0
   60    67    39    48   0.56750  1.0 1.0
   60    67    39    48  -0.07550 -1.0 2.0
   60    67    39    48   0.20000  1.0 3.0
   61    60    67    68   0.15000  1.0 3.0
   61    60    67    69   0.15000  1.0 3.0
   61    60    67    39   0.15000  1.0 3.0
   62    60    67    68   0.15000  1.0 3.0
   62    60    67    69   0.15000  1.0 3.0
   62    60    67    39   0.15000  1.0 3.0
   67    39   -46    44   0.56750  1.0 1.0
   67    39   -46    44  -0.07550 -1.0 2.0
   67    39   -46    44   0.20000  1.0 3.0
   67    39    46    47   0.15000  1.0 3.0
   67    39    46    57   0.56750  1.0 1.0
   67    39    46    57  -0.07550 -1.0 2.0
   67    39    46    57   0.20000  1.0 3.0
   67    39    48    49   0.15000  1.0 3.0
   67    39    48    50   0.15000  1.0 3.0
   67    39    48    51   0.15000  1.0 3.0
   68    67    39    33   0.15000  1.0 3.0
   68    67    39    46   0.15000  1.0 3.0
   68    67    39    48   0.15000  1.0 3.0
   69    67    39    33   0.15000  1.0 3.0
   69    67    39    46   0.15000  1.0 3.0
   69    67    39    48   0.15000  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33   -37    44   0.56750  1.0 1.0
   39    33   -37    44  -0.07550 -1.0 2.0
   39    33   -37    44   0.20000  1.0 3.0
   39    33    37    52  -0.95700  1.0 1.0
   39    33    37    52  -0.18200 -1.0 2.0
   39    33    37    52   0.29450  1.0 3.0
   39    33    40    41   0.15000  1.0 3.0
   39    33    40    42   0.15000  1.0 3.0
   39    33    40    43   0.15000  1.0 3.0
   39    46    57    58   0.15000  1.0 3.0
   39    46    57    59   0.15000  1.0 3.0
   39    46    57    63   0.86500  1.0 1.0
   39    46    57    63  -0.17500 -1.0 2.0
   39    46    57    63   0.20800  1.0 3.0
   46    44    55    56   0.15000  1.0 3.0
   46    44   -55    60   0.56750  1.0 1.0
   46    44   -55    60  -0.07550 -1.0 2.0
   46    44   -55    60   0.20000  1.0 3.0
   46    44    55    65   0.56750  1.0 1.0
   46    44    55    65  -0.07550 -1.0 2.0
   46    44    55    65   0.20000  1.0 3.0
   46    39    48    49   0.15000  1.0 3.0
   46    39    48    50   0.15000  1.0 3.0
   46    39    48    51   0.15000  1.0 3.0
   46    57    63    64  -0.11600  1.0 1.0
   46    57    63    64  -0.09450 -1.0 2.0
   46    57    63    64   0.21250  1.0 3.0
   47    46    57    58   0.15000  1.0 3.0
   47    46    57    59   0.15000  1.0 3.0
   47    46    57    63   0.23400  1.0 3.0
   58    57    63    64   0.19450  1.0 3.0
   59    57    63    64   0.19450  1.0 3.0
   48    39    46    44   0.56750  1.0 1.0
   48    39    46    44  -0.07550 -1.0 2.0
   48    39    46    44   0.20000  1.0 3.0
   48    39    46    47   0.15000  1.0 3.0
   48    39    46    57   0.56750  1.0 1.0
   48    39    46    57  -0.07550 -1.0 2.0
   48    39    46    57   0.20000  1.0 3.0
   65    55    60    61   0.15000  1.0 3.0
   65    55    60    62   0.15000  1.0 3.0
   65    55    60    67   0.56750  1.0 1.0
   65    55    60    67  -0.07550 -1.0 2.0
   65    55    60    67   0.20000  1.0 3.0
   66    65    70    71   0.15000  1.0 3.0
   66    65    70    72   0.15000  1.0 3.0
   66    65    70    73   0.15000  1.0 3.0
   66    65    74    75   0.15000  1.0 3.0
   66    65    74    76   0.15000  1.0 3.0
   66    65    74    77   0.15000  1.0 3.0
   70    65    74    75   0.15000  1.0 3.0
   70    65    74    76   0.15000  1.0 3.0
   70    65    74    77   0.15000  1.0 3.0
   74    65    70    71   0.15000  1.0 3.0
   74    65    70    72   0.15000  1.0 3.0
   74    65    70    73   0.15000  1.0 3.0
   52    37    44    45  -0.11250  1.0 3.0
   52    37    44    55  -0.95700  1.0 1.0
   52    37    44    55  -0.18200 -1.0 2.0
   52    37    44    55   0.29450  1.0 3.0
   52    37    44    46  -0.95700  1.0 1.0
   52    37    44    46  -0.18200 -1.0 2.0
   52    37    44    46   0.29450  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    44   0.56750  1.0 1.0
   40    33    37    44  -0.07550 -1.0 2.0
   40    33    37    44   0.20000  1.0 3.0
   40    33    37    52  -0.95700  1.0 1.0
   40    33    37    52  -0.18200 -1.0 2.0
   40    33    37    52   0.29450  1.0 3.0
   40    33    39    67   0.56750  1.0 1.0
   40    33    39    67  -0.07550 -1.0 2.0
   40    33    39    67   0.20000  1.0 3.0
   40    33    39    46   0.56750  1.0 1.0
   40    33    39    46  -0.07550 -1.0 2.0
   40    33    39    46   0.20000  1.0 3.0
   40    33    39    48   0.56750  1.0 1.0
   40    33    39    48  -0.07550 -1.0 2.0
   40    33    39    48   0.20000  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    54    52    53  10.50000 -1.0 2.0
END
