* LIGAND DATABASE FILE (OPLS2005)
*
001      79    81    143    220     406
    1     0 S   NP   _N1_     1    28.03365    97.50210   -20.02959
    2     1 S   H    _HN1     2     1.02958    69.31176   -14.66520
    3     1 S   H    _H1_     3     1.02831    47.24465   126.03591
    4     1 S   H    _H2_     4     1.02771    93.77265  -122.91602
    5     1 S   CT   _CA1     5     1.50157   151.54642    80.11484
    6     5 S   HC   _HA1     6     1.09551   105.23195    93.60931
    7     5 S   CO3  _C1_     7     1.53912   112.45315   -26.75092
    8     7 S   O2Z  _O11     8     1.26399   114.94243   -36.54633
    9     7 S   O2Z  _O12     9     1.26241   115.14006   142.63542
   10     5 S   CT   _CB1    10     1.53113   107.42865  -148.02862
   11    10 S   HC   HB11    11     1.09822   109.82735   -45.46932
   12    10 S   HC   HB12    12     1.09799   110.18295    71.20253
   13    10 S   CT   _CG1    13     1.52965   112.53231  -166.27529
   14    13 S   HC   HG11    14     1.09508   110.65367   -58.94803
   15    13 S   HC   HG12    15     1.09649   109.85106    60.11330
   16    13 S   C    _CD1    16     1.51801   112.40547  -179.20426
   17    16 S   O    _OE1    17     1.22737   123.41293     1.24175
   18    16 S   N    _N2_    18     1.38477   111.57305  -179.23844
   19    18 S   H    _HN2    19     1.01564   119.05202     4.69761
   20    18 S   CT1  _CA2    20     1.45878   123.01509  -178.66353
   21    20 S   HC   _HA2    21     1.09735   108.70949    27.94581
   22    20 S   C    _C2_    22     1.52876   107.21422   -89.41079
   23    22 S   O    _O2_    23     1.22961   122.89828   -27.60697
   24    20 S   CT   _CB2    32     1.53315   111.83563   150.89721
   25    24 S   HC   HB21    33     1.09215   109.33288    59.14735
   26    24 S   HC   HB22    34     1.09531   110.52851   176.83331
   27    22 S   N    _N3_    24     1.38599   112.44420   155.08074
   28    27 S   H    _HN3    25     1.01511   119.72690     1.56910
   29    24 S   S    _SG2    35     1.82750   110.41396   -64.08668
   30    27 S   CT   _CA3    26     1.45448   122.76403   176.54623
   31    30 S   HC   HA31    27     1.09543   108.90457    31.47983
   32    30 S   HC   HA32    28     1.09483   107.22486   148.50423
   33    29 S   CT   _C15    36     1.88997   103.01676   142.59780
   34    30 S   CO3  _C3_    29     1.52980   113.37978   -91.66270
   35    34 S   O2Z  _O31    30     1.26382   115.57963   -39.22465
   36    34 S   O2Z  _O32    31     1.26376   114.86851   141.66210
   37    33 S   CM   _C8_    37     1.54910   105.14202   174.05413
   38    33 S   CT   _C19    71     1.55014   108.98531    54.43095
   39    38 S   HC   _H41    72     1.09668   111.94550    57.36014
   40    38 S   HC   _H42    73     1.09569   110.94597   -63.43011
   41    37 S   N4   _N17    38     1.36387   118.97816    90.76533
   42    37 S   CMA  _C10    68     1.53001   120.75930   -80.75017
   43    42 S   OM   _O20    69     1.26372   119.78014  -105.27103
   44    42 S   OM   _O21    70     1.26277   121.53024    75.25276
   45    38 S   OS   _O25    74     1.44312   109.61018   178.58805
   46    41 S   C4   _C9_    39     1.35322   137.15403  -161.12979
   47    46 S   O    _O22    40     1.20898   134.05109    -0.54680
   48    41 S   C4T  _C14    42     1.44898   125.31401    32.16352
   49    48 S   HC   _H35    43     1.09825   111.86302    73.12179
   50    45 S   CO4  _C12    75     1.36018   116.04959  -177.29087
   51    50 S   O    _O24    76     1.22522   125.68440    -2.90717
   52    46 S   C4T  _C16    41     1.58934    89.46541   175.47433
   53    48 S   S    _S29    44     1.80793   111.19936   -54.27740
   54    50 S   N    _N18    77     1.36879   110.13866   177.37579
   55    54 S   H    _H43    78     1.01280   121.07551  -179.56931
   56    54 S   H    _H44    79     1.01323   120.76783    -1.59863
   57    33 S   CT   _C13    45     1.55815   109.38485   -64.55157
   58    57 S   HC   _H33    46     1.09293   112.33550    56.99976
   59    57 S   HC   _H34    47     1.09701   110.19075   174.40336
   60    52 S   N    _N19    48     1.49062   111.55752  -100.05793
   61    60 S   H    _H45    49     1.01769   118.43810   108.65569
   62    52 S   OS   _O26    63     1.45015   111.86617   128.66926
   63    60 S   C    _C11    50     1.38541   123.35453   -67.21099
   64    63 S   O    _O23    51     1.22858   125.14874    -4.57504
   65    62 S   CT   _C17    64     1.42037   116.32190  -167.89302
   66    65 S   HC   _H36    65     1.09303   108.43055   176.74334
   67    65 S   HC   _H37    66     1.09344   110.49040    57.64269
   68    65 S   HC   _H38    67     1.09345   110.36524   -64.29121
   69    63 S   CT   _C18    52     1.51369   112.82637   174.01902
   70    69 S   HC   _H39    53     1.09607   108.48751   152.98637
   71    69 S   HC   _H40    54     1.09468   110.12529    36.36706
   72    69 S   C5A  _C7_    55     1.49576   108.75180   -86.67590
   73    72 S   C5B  _C5_    56     1.38078   128.20200   -87.03600
   74    73 S   HA   _H31    57     1.08282   123.35334    -0.22206
   75    73 S   C5B  _C4_    58     1.42478   112.37780   179.16866
   76    75 S   HA   _H30    59     1.08222   124.58723  -179.54072
   77    75 S   C5A  _C6_    60     1.37651   112.02169     0.17246
   78    77 S   HA   _H32    61     1.08088   127.71067  -179.72305
   79    72 S   SA   _S28    62     1.71452   120.38124    92.56552
  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  12   5   4   3
  16   2   1   1  17  12   4   3  12   5   1   1   6  10   4  11
   5   4   3  12   5   2   1   1   2   1   1   9   4   5   7   4
   3   2   1   1   8   4   3   7   6   4   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    57    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    53    57    58    59    42    38    39    40    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    46    48    53    57    58    59    42    43    44    38    39    40    45    50  
   35    36  
   36  
    0  
   41    46    47    52    48    49    53    57    58    59    42    43    44    38    39    40    45  
   39    40    45    50    51    54    41    42    53    57    58    59  
   40    45    50    57  
   45    50    57  
   46    47    52    48    49    53    57    60    62    42    43    44  
   43    44    46    48    57  
   44  
    0  
   50    51    54    55    56    57  
   47    52    48    49    53    60    61    63    62    65  
   52    48    60    62  
   49    53    57    58    59    60    61    63    62    65    52  
   53    57    60    62    52  
   51    54    55    56  
   54    55    56  
   53    57    60    61    63    64    69    62    65    66    67    68  
   57    58    59    60    62  
   55    56  
   56  
    0  
   58    59  
   59  
    0  
   61    63    64    69    70    71    72    62    65  
   63    64    69    62  
   65    66    67    68    63  
   64    69    70    71    72    73    79  
   69    70    71    72  
   66    67    68  
   67    68  
   68  
    0  
   70    71    72    73    74    75    77    79  
   71    72    73    79  
   72    73    79  
   73    74    75    76    77    78    79  
   74    75    76    77    78    79  
   75    76    77    79  
   76    77    78    79  
   77    78    79  
   78    79  
   79  
    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   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   41   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   42   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   52   3.5000   0.0660   0.366500   1.9750   1.7500   0.005000000  -0.741685710
   53   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   54   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   55   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   56   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   57   3.5000   0.0660   0.047500   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   3.2500   0.1700  -0.466500   2.1120   1.8750   0.051222218  -2.220205820
   61   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   62   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   65   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700  -0.178700   2.0020   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700  -0.073800   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.121100   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.073800   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.121100   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700  -0.325500   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.261800   1.3810   1.2100   0.030040813   0.268726247
   79   3.5600   0.3950   0.032800   2.0080   1.7800   0.025682759  -1.666211680
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   317.000  1.510
   33    57   268.000  1.529
   33    38   268.000  1.529
   37    41   400.000  1.384
   37    42   465.000  1.376
   41    46   440.000  1.369
   41    48   305.000  1.456
   46    47   930.000  1.212
   46    52   250.000  1.540
   52    48   268.000  1.529
   52    60   337.000  1.449
   52    62   320.000  1.410
   48    49   340.000  1.090
   48    53   200.000  1.824
   53    57   222.000  1.810
   57    58   340.000  1.090
   57    59   340.000  1.090
   60    61   434.000  1.010
   60    63   490.000  1.335
   63    64   570.000  1.229
   63    69   317.000  1.522
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   295.000  1.489
   72    73   520.000  1.370
   72    79   265.000  1.745
   73    74   367.000  1.080
   73    75   400.000  1.425
   75    76   367.000  1.080
   75    77   520.000  1.370
   77    78   367.000  1.080
   77    79   265.000  1.745
   62    65   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   42    43   745.000  1.250
   42    44   745.000  1.250
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    45   320.000  1.410
   45    50   214.000  1.327
   50    51   570.000  1.229
   50    54   435.000  1.380
   54    55   434.000  1.010
   54    56   434.000  1.010
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  112.20000
   29    33    57    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  113.82800
   33    37    42    70.00000  124.00000
   33    57    53    75.00000  111.63000
   33    57    58    37.50000  110.70000
   33    57    59    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    45    50.00000  109.50000
   37    41    46    50.00000  132.10000
   37    41    48    50.00000  132.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  137.10300
   41    46    47    75.00000  131.60000
   41    46    52    95.00000   92.72400
   41    48    52   105.00000   87.49700
   41    48    49    50.00000  112.01000
   41    48    53    80.00000  108.62000
   46    52    48   100.00000   86.36000
   46    52    60    75.00000  110.24000
   46    52    62    90.00000  108.55600
   52    46    47    60.00000  136.58000
   52    48    49    37.50000  110.70000
   52    48    53    65.00000  119.05700
   52    60    61    38.00000  118.40000
   52    60    63    50.00000  121.90000
   52    62    65    60.00000  109.50000
   48    41    46   100.00000   93.00000
   48    53    57    85.00000   99.86700
   53    48    49    45.00000  109.41400
   53    57    58    35.00000  109.50000
   53    57    59    35.00000  109.50000
   57    33    37    70.00000  112.02700
   59    57    58    33.00000  107.80000
   60    52    48    80.00000  110.05700
   60    63    64    80.00000  122.90000
   60    63    69    70.00000  116.60000
   63    60    61    35.00000  119.80000
   63    69    70    35.00000  109.50000
   63    69    71    35.00000  109.50000
   63    69    72    70.00000  110.34000
   69    63    64    80.00000  120.40000
   69    72    73    55.00000  130.44200
   69    72    79    65.00000  123.52500
   71    69    70    33.00000  107.80000
   72    69    70    45.00000  110.47400
   72    69    71    45.00000  110.47400
   72    73    74    35.00000  128.20000
   72    73    75    75.00000  112.39000
   72    79    77   110.00000   90.41100
   73    75    76    35.00000  125.69000
   73    75    77    75.00000  112.39000
   75    73    74    35.00000  125.69000
   75    77    78    35.00000  130.70000
   75    77    79    80.00000  111.29200
   77    75    76    35.00000  128.20000
   79    72    73    80.00000  111.29200
   79    77    78    40.00000  122.38200
   62    52    48    50.00000  109.50000
   62    52    60    95.00000  111.00000
   62    65    66    35.00000  109.50000
   62    65    67    35.00000  109.50000
   62    65    68    35.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   42    37    41    75.00000  120.83300
   44    42    43    65.00000  121.00000
   38    33    37    70.00000  112.02700
   38    33    57    58.35000  112.70000
   38    45    50    83.00000  116.90000
   40    38    39    33.00000  107.80000
   45    38    39    35.00000  109.50000
   45    38    40    35.00000  109.50000
   45    50    51    83.00000  123.40000
   45    50    54   110.00000  108.75700
   50    54    55    50.00000  116.34900
   50    54    56    50.00000  116.34900
   54    50    51    85.00000  125.96000
   56    54    55    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    41   0.09700  1.0 1.0
   29    33    37    41   0.15600 -1.0 2.0
   29    33    37    41  -0.50800  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    57    53   0.56750  1.0 1.0
   29    33    57    53  -0.07550 -1.0 2.0
   29    33    57    53   0.20000  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    59   0.15000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   33    37    41    46   0.00000  1.0 1.0
   33    37    41    48   0.00000  1.0 1.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    44   7.00000 -1.0 2.0
   33    38    45    50  -0.25900  1.0 1.0
   33    38    45    50  -0.47000 -1.0 2.0
   33    38    45    50   0.11750  1.0 3.0
   37    33    57    53   0.56750  1.0 1.0
   37    33    57    53  -0.07550 -1.0 2.0
   37    33    57    53   0.20000  1.0 3.0
   37    33    57    58   0.15000  1.0 3.0
   37    33    57    59   0.15000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    45   0.61850  1.0 1.0
   37    33    38    45  -0.22750 -1.0 2.0
   37    33    38    45   0.15300  1.0 3.0
   37    41    46    47   3.00000 -1.0 2.0
   37    41    46    52   3.00000 -1.0 2.0
   37    41   -48    52   0.00000  1.0 1.0
   37    41    48    49   0.00000  1.0 1.0
   37    41   -48    53   0.00000  1.0 1.0
   41    37    42    43   7.00000 -1.0 2.0
   41    37    42    44   7.00000 -1.0 2.0
   41    46   -52    48   3.00000 -1.0 2.0
   41    46    52    60   0.00000  1.0 1.0
   41    46    52    62   0.00000  1.0 1.0
   41    48    53    57   0.01700  1.0 1.0
   41    48    53    57  -0.23550 -1.0 2.0
   41    48    53    57   0.21350  1.0 3.0
   46    41   -48    52   0.00000  1.0 1.0
   46    41    48    49   0.00000  1.0 1.0
   46    41    48    53   0.00000  1.0 1.0
   46    52   -48    41   3.00000 -1.0 2.0
   46    52   -48    49   0.15000  1.0 3.0
   46    52   -48    53   0.00000  1.0 1.0
   46    52    60    61   0.00000  1.0 1.0
   46    52    60    63  -0.42300  1.0 1.0
   46    52    60    63  -0.07000 -1.0 2.0
   46    52    60    63   0.04150  1.0 3.0
   46    52    62    65  -1.11000  1.0 1.0
   46    52    62    65   0.50250 -1.0 2.0
   46    52    62    65   0.47450  1.0 3.0
   47    46    52    48  -0.11250  1.0 1.0
   47    46    52    48   0.11400 -1.0 2.0
   47    46    52    48  -0.28950  1.0 3.0
   47    46    52    60   0.30150 -1.0 2.0
   47    46    52    62   0.30150 -1.0 2.0
   52    48    53    57   0.25150  1.0 1.0
   52    48    53    57  -1.17200 -1.0 2.0
   52    48    53    57   0.53050  1.0 3.0
   52    60    63    64   3.04450 -1.0 2.0
   52    60    63    69   1.49850  1.0 1.0
   52    60    63    69   1.53950 -1.0 2.0
   52    62    65    66   0.37050  1.0 3.0
   52    62    65    67   0.37050  1.0 3.0
   52    62    65    68   0.37050  1.0 3.0
   48    41   -46    47   3.00000 -1.0 2.0
   48    41   -46    52   3.00000 -1.0 2.0
   48    52    60    61   0.00000  1.0 1.0
   48    52    60    63  -0.43950  1.0 1.0
   48    52    60    63  -0.08100 -1.0 2.0
   48    52    60    63   0.03350  1.0 3.0
   48    52    62    65   0.06250  1.0 1.0
   48    52    62    65  -0.01100 -1.0 2.0
   48    52    62    65   0.28050  1.0 3.0
   48    53   -57    33  -0.25000 -1.0 2.0
   48    53   -57    33  -0.01800  1.0 3.0
   48    53    57    58   0.32350  1.0 3.0
   48    53    57    59   0.32350  1.0 3.0
   49    48    53    57   0.00000  1.0 1.0
   57    33   -37    41  -0.93550  1.0 1.0
   57    33   -37    41   0.38900 -1.0 2.0
   57    33   -37    41   0.16950  1.0 3.0
   57    33    37    42   0.09850  1.0 1.0
   57    33    37    42   0.15250 -1.0 2.0
   57    33    37    42  -0.50650  1.0 3.0
   57    33    38    39   0.15000  1.0 3.0
   57    33    38    40   0.15000  1.0 3.0
   57    33    38    45   0.62750  1.0 1.0
   57    33    38    45  -0.30950 -1.0 2.0
   57    33    38    45   0.27300  1.0 3.0
   60    52   -48    41   2.20050  1.0 1.0
   60    52   -48    41   0.63450 -1.0 2.0
   60    52   -48    41  -0.91300  1.0 3.0
   60    52    48    49   0.15000  1.0 3.0
   60    52    48    53   0.00000  1.0 1.0
   60    52    62    65  -2.37750  1.0 1.0
   60    52    62    65  -0.08150 -1.0 2.0
   60    52    62    65   0.59000  1.0 3.0
   60    63    69    70   0.00000  1.0 1.0
   60    63    69    71   0.00000  1.0 1.0
   60    63    69    72   0.00000  1.0 1.0
   61    60    63    64   2.45000 -1.0 2.0
   61    60    63    69   2.45000 -1.0 2.0
   63    69    72    73   0.04300 -1.0 2.0
   63    69    72    79   0.04300 -1.0 2.0
   64    63    69    70   0.00000  1.0 1.0
   64    63    69    71   0.00000  1.0 1.0
   64    63    69    72   0.30150 -1.0 2.0
   69    72    73    74   3.62500 -1.0 2.0
   69    72    73    75   3.62500 -1.0 2.0
   69    72    79    77   3.62500 -1.0 2.0
   70    69    72    73   0.00000  1.0 1.0
   70    69    72    79   0.00000  1.0 1.0
   71    69    72    73   0.00000  1.0 1.0
   71    69    72    79   0.00000  1.0 1.0
   72    73    75    76   3.62500 -1.0 2.0
   72    73   -75    77   3.62500 -1.0 2.0
   73    72   -79    77   3.62500 -1.0 2.0
   73    75    77    78   3.62500 -1.0 2.0
   73    75   -77    79   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    77   -79    72   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    79   3.62500 -1.0 2.0
   78    77    79    72   3.62500 -1.0 2.0
   79    72    73    74   3.62500 -1.0 2.0
   79    72   -73    75   3.62500 -1.0 2.0
   62    52   -48    41   1.12100  1.0 1.0
   62    52   -48    41  -0.16500 -1.0 2.0
   62    52    48    49   0.15000  1.0 3.0
   62    52    48    53   0.00000  1.0 1.0
   62    52    60    61   0.00000  1.0 1.0
   62    52    60    63  -2.75650  1.0 1.0
   62    52    60    63  -1.18150 -1.0 2.0
   62    52    60    63   0.81900  1.0 3.0
   42    37    41    46   0.00000  1.0 1.0
   42    37    41    48   0.00000  1.0 1.0
   38    33    37    41  -0.93550  1.0 1.0
   38    33    37    41   0.38900 -1.0 2.0
   38    33    37    41   0.16950  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    57    53   0.44750  1.0 1.0
   38    33    57    53  -0.17800 -1.0 2.0
   38    33    57    53   0.20200  1.0 3.0
   38    33    57    58   0.15000  1.0 3.0
   38    33    57    59   0.15000  1.0 3.0
   38    45    50    51   3.00000 -1.0 2.0
   38    45    50    54  -0.80800  1.0 1.0
   38    45    50    54   2.06850 -1.0 2.0
   39    38    45    50   0.08050  1.0 3.0
   40    38    45    50   0.08050  1.0 3.0
   45    50    54    55   2.56700 -1.0 2.0
   45    50    54    56   2.56700 -1.0 2.0
   51    50    54    55   2.45000 -1.0 2.0
   51    50    54    56   2.45000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    41    37    42   1.10000 -1.0 2.0
   48    46    41    37   1.00000 -1.0 2.0
   41    52    46    47  10.50000 -1.0 2.0
   61    63    60    52   1.00000 -1.0 2.0
   60    69    63    64  10.50000 -1.0 2.0
   73    79    72    69   4.00000 -1.0 2.0
   75    74    73    72   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   79    78    77    75   1.10000 -1.0 2.0
   43    44    42    37   1.10000 -1.0 2.0
   45    54    50    51  10.50000 -1.0 2.0
   56    50    54    55   1.00000 -1.0 2.0
END
