* LIGAND DATABASE FILE (OPLS2005)
*
001      83    84    151    228     439
    1     0 S   NP   _N1_     1    28.83304    97.22762   -21.75200
    2     1 S   H    _HN1     2     1.02937    43.22076   151.63343
    3     1 S   H    _H1_     3     1.02805    99.68659  -102.74275
    4     1 S   H    _H2_     4     1.02860    70.01546     3.21467
    5     1 S   CT   _CA1     5     1.50448   145.11532   101.94816
    6     5 S   HC   _HA1     6     1.09699   104.63776    96.57231
    7     5 S   CO3  _C1_     7     1.54292   110.83855   -19.54636
    8     7 S   O2Z  _O11     8     1.26026   116.57479  -110.38754
    9     7 S   O2Z  _O12     9     1.26535   113.81582    68.14450
   10     5 S   CT   _CB1    10     1.53110   107.03550  -147.48851
   11    10 S   HC   HB11    11     1.09846   109.73688   -44.69054
   12    10 S   HC   HB12    12     1.09766   110.45246    71.98367
   13    10 S   CT   _CG1    13     1.53002   112.24379  -165.18967
   14    13 S   HC   HG11    14     1.09536   111.01989   -62.53166
   15    13 S   HC   HG12    15     1.09680   109.59744    56.57080
   16    13 S   C    _CD1    16     1.51774   112.20009   176.87275
   17    16 S   O    _OE1    17     1.22724   123.31480     8.72461
   18    16 S   N    _N2_    18     1.38648   111.65292  -171.46563
   19    18 S   H    _HN2    19     1.01574   118.92504     2.30078
   20    18 S   CT1  _CA2    20     1.46262   123.43447   178.36314
   21    20 S   HC   _HA2    21     1.09727   109.40147     4.41477
   22    20 S   C    _C2_    22     1.53569   108.81073  -111.28528
   23    22 S   O    _O2_    23     1.23070   122.19633  -149.08640
   24    20 S   CT   _CB2    32     1.53449   111.27275   126.44426
   25    24 S   HC   HB21    33     1.09330   109.20292    57.09628
   26    24 S   HC   HB22    34     1.09452   110.14688   175.82111
   27    22 S   N    _N3_    24     1.38292   113.81260    38.29372
   28    27 S   H    _HN3    25     1.01573   119.58213    -3.15194
   29    24 S   S    _SG2    35     1.82907   111.05210   -64.63848
   30    27 S   CT   _CA3    26     1.45288   123.26216   177.25548
   31    30 S   HC   HA31    27     1.09547   107.46762   -65.75775
   32    30 S   HC   HA32    28     1.09556   108.04454    50.70204
   33    29 S   CT   _C17    36     1.86735   101.98653   164.29697
   34    30 S   CO3  _C3_    29     1.52971   114.05212   172.71245
   35    34 S   O2Z  _O31    30     1.26383   116.06156    -1.29059
   36    34 S   O2Z  _O32    31     1.26427   114.41330   178.79423
   37    33 S   CO4  _C11    37     1.54148   106.81626   175.34444
   38    37 S   O    _O23    38     1.22918   123.44182   -26.80808
   39    33 S   CT   _C16    51     1.55276   112.49666   -62.95667
   40    39 S   HC   _H31    52     1.09852   108.50354    72.46020
   41    33 S   CT   _C21    80     1.54118   108.14102    60.64642
   42    41 S   HC   _H41    81     1.09496   112.03119   -69.31536
   43    41 S   HC   _H42    82     1.09619   111.65422   170.98154
   44    41 S   HC   _H43    83     1.09689   111.65093    52.40483
   45    37 S   CA   _C9_    39     1.48624   118.06861   157.40454
   46    39 S   CT   _C22    53     1.54898   115.22197   -49.23172
   47    46 S   HC   _H44    54     1.09570   110.17955    59.96801
   48    46 S   HC   _H45    55     1.09321   110.62801   -56.39433
   49    45 S   CA   _C7_    40     1.40068   119.42309   172.85911
   50    49 S   HA   _H28    41     1.08721   121.18568     1.45320
   51    46 S   CM   _C12    56     1.50633   112.69083   177.71304
   52    51 S   HC   _H29    57     1.08988   113.89013   -67.01010
   53    49 S   CA   _C5_    42     1.39592   120.17205  -178.07197
   54    53 S   HA   _H26    43     1.08654   119.91476   179.89165
   55    51 S   CM   _C14    58     1.34756   128.20942   114.35563
   56    53 S   CA   _C4_    44     1.39338   120.13569     0.17017
   57    56 S   HA   _H25    45     1.08641   119.99326   179.90721
   58    55 S   CT   _C18    59     1.50432   125.04430    -2.38835
   59    58 S   HC   _H32    60     1.09392   110.54069   116.45869
   60    58 S   HC   _H33    61     1.09533   110.00048  -124.02761
   61    58 S   HC   _H34    62     1.09143   113.67972    -4.40157
   62    55 S   CT   _C24    63     1.51860   119.86564   179.33795
   63    62 S   HC   _H48    64     1.09771   108.56595   134.44869
   64    62 S   HC   _H49    65     1.09841   110.54916    19.45192
   65    56 S   CA   _C6_    46     1.39414   120.01496    -0.31775
   66    65 S   HA   _H27    47     1.08705   119.02077  -179.27828
   67    62 S   CT   _C23    66     1.53455   113.66646  -104.09982
   68    67 S   HC   _H46    67     1.09350   110.75744   -55.25985
   69    67 S   HC   _H47    68     1.09771   108.33299  -170.25632
   70    45 S   CA   _C8_    48     1.39562   121.12550    -5.58897
   71    67 S   CM   _C13    69     1.50487   112.45786    71.43054
   72    71 S   HC   _H30    70     1.08964   113.92412    72.10745
   73    70 S   CO4  _C10    49     1.47535   120.34390    -3.46080
   74    73 S   O    _O22    50     1.22714   120.46265   163.38255
   75    71 S   CM   _C15    71     1.34659   128.10548  -108.06330
   76    75 S   CT   _C19    72     1.50560   120.40811  -179.77445
   77    76 S   HC   _H35    73     1.09486   110.28827   120.81012
   78    76 S   HC   _H36    74     1.09505   112.44040     0.68586
   79    76 S   HC   _H37    75     1.09419   110.19824  -119.34487
   80    75 S   CT   _C20    76     1.50228   125.32633     1.08462
   81    80 S   HC   _H38    77     1.09480   109.89613   117.82404
   82    80 S   HC   _H39    78     1.09499   110.13740  -122.76270
   83    80 S   HC   _H40    79     1.09122   113.69187    -2.35601
  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
  17   2   1   1  15   5  16   8   6   2   1   1  10  10   5   4
   8   4  11   3   6   3  11   5   3   7   3   2   1   8   5   4
   4   2   7   4   3   2  10   3   1   1   8   7   3   2   1   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    73    39    40    46    41    42    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    45    49    70    73    74    39    40    46    47    48    51    41    42    43    44  
   35    36  
   36  
    0  
   38    45    49    50    53    65    70    73    39    40    46    41    42    43    44  
   45    49    70    39    41  
   40    46    47    48    51    52    55    41    42    43    44    45    65    70    73    74  
   46    47    48    51    41    70    73    74  
   42    43    44    45    46    73  
   43    44  
   44  
    0  
   49    50    53    54    56    65    66    70    73    74  
   47    48    51    52    55    58    62    70    73    74  
   48    51    52    55    73  
   51    52    55    73  
   50    53    54    56    57    65    70    73  
   53    54    56    70  
   52    55    58    59    60    61    62    63    64    67    73  
   55    58    62  
   54    56    57    65    66    70  
   56    57    65  
   58    59    60    61    62    63    64    67    68    69    71  
   57    65    66    70    73  
   65    66    70  
   59    60    61    62    63    64    67  
   60    61    62  
   61    62  
   62  
   63    64    67    68    69    71    72    75  
   64    67    68    69    71  
   67    68    69    71  
   66    70    73    74  
   70    73  
   68    69    71    72    75    76    80  
   69    71    72    75  
   71    72    75  
   73    74  
   72    75    76    77    78    79    80    81    82    83  
   75    76    80  
   74  
    0  
   76    77    78    79    80    81    82    83  
   77    78    79    80    81    82    83  
   78    79    80  
   79    80  
   80  
   81    82    83  
   82    83  
   83  
    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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   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   317.000  1.522
   33    39   268.000  1.529
   33    41   268.000  1.529
   37    38   570.000  1.229
   37    45   310.000  1.470
   45    49   469.000  1.400
   45    70   469.000  1.400
   49    50   367.000  1.080
   49    53   469.000  1.400
   53    54   367.000  1.080
   53    56   469.000  1.400
   56    57   367.000  1.080
   56    65   469.000  1.400
   65    66   367.000  1.080
   65    70   469.000  1.400
   70    73   310.000  1.470
   73    74   570.000  1.229
   73    39   317.000  1.522
   39    40   340.000  1.090
   39    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   317.000  1.510
   51    52   340.000  1.080
   51    55   549.000  1.340
   55    58   317.000  1.510
   55    62   317.000  1.510
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    71   317.000  1.510
   71    72   340.000  1.080
   71    75   549.000  1.340
   75    76   317.000  1.510
   75    80   317.000  1.510
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   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  110.18000
   29    33    39    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    45    65.00000  115.47100
   33    39    73    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    46    58.35000  112.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   37    45    49    60.00000  119.52600
   37    45    70    60.00000  119.52600
   45    37    38    75.00000  123.78400
   45    49    50    35.00000  120.00000
   45    49    53    63.00000  120.00000
   45    70    65    63.00000  120.00000
   45    70    73    60.00000  119.52600
   49    53    54    35.00000  120.00000
   49    53    56    63.00000  120.00000
   53    49    50    35.00000  120.00000
   53    56    57    35.00000  120.00000
   53    56    65    63.00000  120.00000
   56    53    54    35.00000  120.00000
   56    65    66    35.00000  120.00000
   56    65    70    63.00000  120.00000
   65    56    57    35.00000  120.00000
   65    70    73    60.00000  119.52600
   70    45    49    63.00000  120.00000
   70    65    66    35.00000  120.00000
   70    73    74    75.00000  123.78400
   70    73    39    65.00000  115.47100
   73    39    40    35.00000  109.50000
   73    39    46    63.00000  111.10000
   39    33    37    63.00000  111.10000
   39    73    74    80.00000  120.40000
   39    46    47    37.50000  110.70000
   39    46    48    37.50000  110.70000
   39    46    51    70.00000  112.02700
   46    39    40    37.50000  110.70000
   46    51    52    35.00000  117.00000
   46    51    55    70.00000  124.00000
   48    46    47    33.00000  107.80000
   51    46    47    35.00000  109.50000
   51    46    48    35.00000  109.50000
   51    55    58    70.00000  124.00000
   51    55    62    70.00000  124.00000
   55    51    52    35.00000  120.00000
   55    58    59    35.00000  109.50000
   55    58    60    35.00000  109.50000
   55    58    61    35.00000  109.50000
   55    62    63    35.00000  109.50000
   55    62    64    35.00000  109.50000
   55    62    67    70.00000  112.02700
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   62    55    58    65.00000  117.92700
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    71    70.00000  112.02700
   64    62    63    33.00000  107.80000
   67    62    63    37.50000  110.70000
   67    62    64    37.50000  110.70000
   67    71    72    35.00000  117.00000
   67    71    75    70.00000  124.00000
   69    67    68    33.00000  107.80000
   71    67    68    35.00000  109.50000
   71    67    69    35.00000  109.50000
   71    75    76    70.00000  124.00000
   71    75    80    70.00000  124.00000
   75    71    72    35.00000  120.00000
   75    76    77    35.00000  109.50000
   75    76    78    35.00000  109.50000
   75    76    79    35.00000  109.50000
   75    80    81    35.00000  109.50000
   75    80    82    35.00000  109.50000
   75    80    83    35.00000  109.50000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   80    75    76    65.00000  117.92700
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   41    33    37    63.00000  111.10000
   41    33    39    58.35000  112.70000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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   0.30150 -1.0 2.0
   29    33    37    45   0.65300  1.0 1.0
   29    33    37    45  -0.03850 -1.0 2.0
   29    33    37    45   0.33900  1.0 3.0
   29    33    39    73   0.56750  1.0 1.0
   29    33    39    73  -0.07550 -1.0 2.0
   29    33    39    73   0.20000  1.0 3.0
   29    33    39    40   0.15000  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    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.15000  1.0 3.0
   33    37    45    49   2.26350  1.0 1.0
   33    37    45    49   0.76750 -1.0 2.0
   33    37    45    49   0.22500  1.0 3.0
   33    37    45    70   2.26350  1.0 1.0
   33    37    45    70   0.76750 -1.0 2.0
   33    37    45    70   0.22500  1.0 3.0
   33    39    46    47   0.15000  1.0 3.0
   33    39    46    48   0.15000  1.0 3.0
   33    39    46    51   0.34400  1.0 1.0
   33    39    46    51   0.09450 -1.0 2.0
   33    39    46    51   0.11100  1.0 3.0
   37    33    39    73   0.11950  1.0 1.0
   37    33    39    73   0.20300 -1.0 2.0
   37    33    39    73  -0.70800  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    46  -0.95700  1.0 1.0
   37    33    39    46  -0.18200 -1.0 2.0
   37    33    39    46   0.29450  1.0 3.0
   37    33    41    42  -0.11250  1.0 3.0
   37    33    41    43  -0.11250  1.0 3.0
   37    33    41    44  -0.11250  1.0 3.0
   37    45    49    50   3.62500 -1.0 2.0
   37    45    49    53   3.62500 -1.0 2.0
   37    45    70    65   3.62500 -1.0 2.0
   37    45   -70    73   3.62500 -1.0 2.0
   38    37    45    49   1.05000 -1.0 2.0
   38    37    45    70   1.05000 -1.0 2.0
   45    49    53    54   3.62500 -1.0 2.0
   45    49    53    56   3.62500 -1.0 2.0
   45    70    73    74   1.05000 -1.0 2.0
   45    70    73    39   2.26350  1.0 1.0
   45    70    73    39   0.76750 -1.0 2.0
   45    70    73    39   0.22500  1.0 3.0
   49    45    70    65   3.62500 -1.0 2.0
   49    45    70    73   3.62500 -1.0 2.0
   49    53    56    57   3.62500 -1.0 2.0
   49    53   -56    65   3.62500 -1.0 2.0
   50    49    53    54   3.62500 -1.0 2.0
   50    49    53    56   3.62500 -1.0 2.0
   53    56    65    66   3.62500 -1.0 2.0
   53    56    65    70   3.62500 -1.0 2.0
   54    53    56    57   3.62500 -1.0 2.0
   54    53    56    65   3.62500 -1.0 2.0
   56    65   -70    45   3.62500 -1.0 2.0
   56    65    70    73   3.62500 -1.0 2.0
   57    56    65    66   3.62500 -1.0 2.0
   57    56    65    70   3.62500 -1.0 2.0
   65    70    73    74   1.05000 -1.0 2.0
   65    70    73    39   2.26350  1.0 1.0
   65    70    73    39   0.76750 -1.0 2.0
   65    70    73    39   0.22500  1.0 3.0
   66    65    70    45   3.62500 -1.0 2.0
   66    65    70    73   3.62500 -1.0 2.0
   70    45    49    50   3.62500 -1.0 2.0
   70    45   -49    53   3.62500 -1.0 2.0
   70    73   -39    33   0.05850 -1.0 2.0
   70    73   -39    33   0.17250  1.0 3.0
   70    73    39    40   0.00000  1.0 1.0
   70    73    39    46   0.05850 -1.0 2.0
   70    73    39    46   0.17250  1.0 3.0
   73    39    46    47  -0.11250  1.0 3.0
   73    39    46    48  -0.11250  1.0 3.0
   73    39    46    51  -0.98800  1.0 1.0
   73    39    46    51   0.48800 -1.0 2.0
   73    39    46    51   0.76800  1.0 3.0
   74    73    39    33   0.30150 -1.0 2.0
   74    73    39    40   0.00000  1.0 1.0
   74    73    39    46   0.30150 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    45   0.05850 -1.0 2.0
   39    33   -37    45   0.17250  1.0 3.0
   39    33    41    42   0.15000  1.0 3.0
   39    33    41    43   0.15000  1.0 3.0
   39    33    41    44   0.15000  1.0 3.0
   39    46    51    52   0.00000  1.0 1.0
   39    46    51    55   0.09850  1.0 1.0
   39    46    51    55   0.15250 -1.0 2.0
   39    46    51    55  -0.50650  1.0 3.0
   40    39    46    47   0.15000  1.0 3.0
   40    39    46    48   0.15000  1.0 3.0
   40    39    46    51   0.15000  1.0 3.0
   46    51    55    58   7.00000 -1.0 2.0
   46    51    55    62   7.00000 -1.0 2.0
   47    46    51    52   0.33100  1.0 3.0
   47    46    51    55   0.00000  1.0 1.0
   48    46    51    52   0.33100  1.0 3.0
   48    46    51    55   0.00000  1.0 1.0
   51    55    58    59   0.00000  1.0 1.0
   51    55    58    60   0.00000  1.0 1.0
   51    55    58    61   0.00000  1.0 1.0
   51    55    62    63   0.00000  1.0 1.0
   51    55    62    64   0.00000  1.0 1.0
   51    55    62    67   0.09850  1.0 1.0
   51    55    62    67   0.15250 -1.0 2.0
   51    55    62    67  -0.50650  1.0 3.0
   52    51    55    58   7.00000 -1.0 2.0
   52    51    55    62   7.00000 -1.0 2.0
   55    62    67    68   0.15000  1.0 3.0
   55    62    67    69   0.15000  1.0 3.0
   55    62    67    71   0.31000  1.0 1.0
   55    62    67    71   0.14700 -1.0 2.0
   55    62    67    71   0.07550  1.0 3.0
   58    55    62    63   0.34800  1.0 3.0
   58    55    62    64   0.34800  1.0 3.0
   58    55    62    67   0.46850  1.0 1.0
   58    55    62    67   0.08550 -1.0 2.0
   58    55    62    67   0.09800  1.0 3.0
   62    55    58    59   0.34800  1.0 3.0
   62    55    58    60   0.34800  1.0 3.0
   62    55    58    61   0.34800  1.0 3.0
   62    67    71    72   0.00000  1.0 1.0
   62    67    71    75   0.09850  1.0 1.0
   62    67    71    75   0.15250 -1.0 2.0
   62    67    71    75  -0.50650  1.0 3.0
   63    62    67    68   0.15000  1.0 3.0
   63    62    67    69   0.15000  1.0 3.0
   63    62    67    71   0.15000  1.0 3.0
   64    62    67    68   0.15000  1.0 3.0
   64    62    67    69   0.15000  1.0 3.0
   64    62    67    71   0.15000  1.0 3.0
   67    71    75    76   7.00000 -1.0 2.0
   67    71    75    80   7.00000 -1.0 2.0
   68    67    71    72   0.33100  1.0 3.0
   68    67    71    75   0.00000  1.0 1.0
   69    67    71    72   0.33100  1.0 3.0
   69    67    71    75   0.00000  1.0 1.0
   71    75    76    77   0.00000  1.0 1.0
   71    75    76    78   0.00000  1.0 1.0
   71    75    76    79   0.00000  1.0 1.0
   71    75    80    81   0.00000  1.0 1.0
   71    75    80    82   0.00000  1.0 1.0
   71    75    80    83   0.00000  1.0 1.0
   72    71    75    76   7.00000 -1.0 2.0
   72    71    75    80   7.00000 -1.0 2.0
   76    75    80    81   0.34800  1.0 3.0
   76    75    80    82   0.34800  1.0 3.0
   76    75    80    83   0.34800  1.0 3.0
   80    75    76    77   0.34800  1.0 3.0
   80    75    76    78   0.34800  1.0 3.0
   80    75    76    79   0.34800  1.0 3.0
   41    33    37    38   0.30150 -1.0 2.0
   41    33    37    45   0.05850 -1.0 2.0
   41    33    37    45   0.17250  1.0 3.0
   41    33    39    73  -0.95700  1.0 1.0
   41    33    39    73  -0.18200 -1.0 2.0
   41    33    39    73   0.29450  1.0 3.0
   41    33    39    40   0.15000  1.0 3.0
   41    33    39    46   0.56750  1.0 1.0
   41    33    39    46  -0.07550 -1.0 2.0
   41    33    39    46   0.20000  1.0 3.0
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    45    37    38  10.50000 -1.0 2.0
   49    70    45    37   4.00000 -1.0 2.0
   53    50    49    45   1.10000 -1.0 2.0
   56    54    53    49   1.10000 -1.0 2.0
   65    57    56    53   1.10000 -1.0 2.0
   70    66    65    56   1.10000 -1.0 2.0
   65    73    70    45   4.00000 -1.0 2.0
   70    39    73    74  10.50000 -1.0 2.0
   46    52    51    55  15.00000 -1.0 2.0
   58    62    55    51  15.00000 -1.0 2.0
   67    72    71    75  15.00000 -1.0 2.0
   76    80    75    71  15.00000 -1.0 2.0
END
