* LIGAND DATABASE FILE (OPLS2005)
*
001      87    86    154    225     450
    1     0 S   NP   _N1_     1    29.52566    94.61067   -24.85195
    2     1 S   H    _HN1     2     1.03474   115.54977   -94.89305
    3     1 S   H    _H1_     3     1.02843    77.86323     9.54763
    4     1 S   H    _H2_     4     1.02728    29.67769  -175.18419
    5     1 S   CT   _CA1     5     1.50007   125.92866   116.76695
    6     5 S   HC   _HA1     6     1.09563   104.97085    90.66133
    7     5 S   CO3  _C1_     7     1.53759   113.05102   -29.48254
    8     7 S   O2Z  _O11     8     1.26388   115.16179   -33.87996
    9     7 S   O2Z  _O12     9     1.26292   114.99948   145.24049
   10     5 S   CT   _CB1    10     1.53020   107.42041  -151.09010
   11    10 S   HC   HB11    11     1.09645   109.47905   -43.24181
   12    10 S   HC   HB12    12     1.09830   110.55243    73.28862
   13    10 S   CT   _CG1    13     1.52998   112.68595  -164.24012
   14    13 S   HC   HG11    14     1.09564   110.57031   -69.84362
   15    13 S   HC   HG12    15     1.09664   109.95837    49.58904
   16    13 S   C    _CD1    16     1.51743   111.94600   169.60757
   17    16 S   O    _OE1    17     1.22719   123.15573     5.56655
   18    16 S   N    _N2_    18     1.38702   111.91080  -174.38640
   19    18 S   H    _HN2    19     1.01554   119.16872     1.53238
   20    18 S   CT1  _CA2    20     1.46014   122.87503   178.77443
   21    20 S   HC   _HA2    21     1.09199   108.74394    -2.11739
   22    20 S   C    _C2_    22     1.53314   109.17036  -116.88860
   23    22 S   O    _O2_    23     1.23057   122.34050  -147.09468
   24    20 S   CT   _CB2    32     1.53067   112.07271   119.49229
   25    24 S   HC   HB21    33     1.09652   109.52417    59.47904
   26    24 S   HC   HB22    34     1.09488   111.30635   176.80561
   27    22 S   N    _N3_    24     1.38351   113.55664    40.83700
   28    27 S   H    _HN3    25     1.01633   119.56655    -4.54269
   29    24 S   S    _SG2    35     1.82871   113.77934   -59.73235
   30    27 S   CT   _CA3    26     1.45254   122.94142   175.12078
   31    30 S   HC   HA31    27     1.09572   107.32613   -64.55130
   32    30 S   HC   HA32    28     1.09550   108.08895    51.81460
   33    29 S   CT   _C11    36     1.85055   101.06251   -70.65847
   34    33 S   HC   _H3_    37     1.09152   107.15621    49.70183
   35    30 S   CO3  _C3_    29     1.52860   114.26034   173.76989
   36    35 S   O2Z  _O31    30     1.26316   116.06262    -8.55770
   37    35 S   O2Z  _O32    31     1.26432   114.40578   171.62494
   38    33 S   CM   _C12    38     1.50582   109.27119   -71.44959
   39    38 S   HC   _H16    39     1.08978   116.66752   -47.10863
   40    33 S   CM   _C10    68     1.51120   107.00161   167.84479
   41    40 S   HC   _H15    69     1.08983   115.96855    50.42214
   42    38 S   CM   _C13    40     1.34396   126.59648   131.79448
   43    42 S   HC   _H17    41     1.08899   117.23572  -178.24699
   44    40 S   CMA  _C9_    70     1.35313   125.41361  -127.30244
   45    44 S   OM   _O35    71     1.26220   131.27391    -4.20966
   46    42 S   CT   _C14    42     1.50374   127.33290     4.05231
   47    46 S   HC   _H18    43     1.09219   110.19384    26.62569
   48    46 S   HC   _H19    44     1.09700   107.80239   141.61043
   49    44 S   CT   _C8_    72     1.53135   116.91661   175.67718
   50    49 S   HC   _H13    73     1.10025   110.03626   130.68310
   51    49 S   HC   _H14    74     1.09919   110.35632    15.78041
   52    46 S   CM   _C15    45     1.50142   112.08278   -99.18952
   53    52 S   HC   _H20    46     1.08940   115.97189   -45.01678
   54    49 S   CT   _C7_    75     1.54200   114.65759  -106.27291
   55    54 S   HC   _H11    76     1.09710   109.95799   -64.00570
   56    54 S   HC   _H12    77     1.09729   108.10997  -179.77186
   57    52 S   CM   _C16    47     1.34348   127.20028   134.99000
   58    57 S   HC   _H21    48     1.08978   116.87394  -177.81448
   59    54 S   CT   _C6_    78     1.53249   113.41129    59.03852
   60    59 S   HC   _H9_    79     1.09609   110.13983   -61.51388
   61    59 S   HC   _H10    80     1.09671   109.55778    56.24741
   62    57 S   CT   _C17    49     1.50331   127.49019     1.51556
   63    62 S   HC   _H22    50     1.09219   108.56189  -105.21800
   64    62 S   HC   _H23    51     1.09411   111.76568    11.69359
   65    59 S   CT   _C5_    81     1.52886   111.40392   177.72256
   66    65 S   HC   _H7_    82     1.09609   109.91377   -59.86106
   67    65 S   HC   _H8_    83     1.09627   109.86162    57.97171
   68    62 S   CM   _C18    52     1.50267   111.46568   131.73821
   69    68 S   HC   _H24    53     1.08917   115.46757   -65.38337
   70    65 S   CT   _C4_    84     1.52066   111.36046   178.93082
   71    70 S   HC   _H4_    85     1.09485   110.99059   -60.08327
   72    70 S   HC   _H5_    86     1.09465   110.99320    60.38861
   73    70 S   HC   _H6_    87     1.09442   110.27318  -179.85065
   74    68 S   CM   _C19    54     1.34275   127.33517   116.36997
   75    74 S   HC   _H25    55     1.08890   117.23999   178.57207
   76    74 S   CT   _C20    56     1.50252   127.57654    -1.84186
   77    76 S   HC   _H26    57     1.09383   111.69351   -16.46168
   78    76 S   HC   _H27    58     1.09696   108.14908  -132.75479
   79    76 S   CT   _C21    59     1.53002   111.14384   106.67826
   80    79 S   HC   _H28    60     1.09779   109.66601   -59.87725
   81    79 S   HC   _H29    61     1.09760   109.68927    57.01352
   82    79 S   CT   _C22    62     1.52621   111.56565   178.70548
   83    82 S   HC   _H30    63     1.09677   109.35733    54.81617
   84    82 S   HC   _H31    64     1.09672   109.71158   -62.49337
   85    82 S   CO3  _C23    65     1.53202   114.50580   176.50083
   86    85 S   O2Z  _O34    66     1.26633   114.33849  -161.93641
   87    85 S   O2Z  _O33    67     1.26126   116.70284    18.13207
  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   8   5   4   3
  11   6   2   1   1  10   4   8   3   7   4   8   4   7   4   3
   9   5   4   7   3   9   5   4   7   4   9   5   4   7   4   3
   6   5   4   7   3   3   2   1   1   8   4   9   5   4   8   5
   4   5   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    46    40    41    44    45    49  
   38    39    42    40    41    44  
   36    37  
   37  
    0  
   39    42    43    46    47    48    52    40    41    44  
   42    43    46    40  
   41    44    45    49    50    51    54    42  
   44    45    49  
   43    46    47    48    52    53    57  
   46    47    48    52  
   45    49    50    51    54    55    56    59  
   49    50    51    54  
   47    48    52    53    57    58    62  
   48    52    53    57  
   52    53    57  
   50    51    54    55    56    59    60    61    65  
   51    54    55    56    59  
   54    55    56    59  
   53    57    58    62    63    64    68  
   57    58    62  
   55    56    59    60    61    65    66    67    70  
   56    59    60    61    65  
   59    60    61    65  
   58    62    63    64    68    69    74  
   62    63    64    68  
   60    61    65    66    67    70    71    72    73  
   61    65    66    67    70  
   65    66    67    70  
   63    64    68    69    74    75    76  
   64    68    69    74  
   68    69    74  
   66    67    70    71    72    73  
   67    70    71    72    73  
   70    71    72    73  
   69    74    75    76    77    78    79  
   74    75    76  
   71    72    73  
   72    73  
   73  
    0  
   75    76    77    78    79    80    81    82  
   76    77    78    79  
   77    78    79    80    81    82    83    84    85  
   78    79    80    81    82  
   79    80    81    82  
   80    81    82    83    84    85    86    87  
   81    82    83    84    85  
   82    83    84    85  
   83    84    85    86    87  
   84    85    86    87  
   85    86    87  
   86    87  
   87  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   87   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   317.000  1.510
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    43   340.000  1.080
   42    46   317.000  1.510
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    52   317.000  1.510
   52    53   340.000  1.080
   52    57   549.000  1.340
   57    58   340.000  1.080
   57    62   317.000  1.510
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    68   317.000  1.510
   68    69   340.000  1.080
   68    74   549.000  1.340
   74    75   340.000  1.080
   74    76   317.000  1.510
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   317.000  1.522
   85    86   656.000  1.250
   85    87   656.000  1.250
   40    41   340.000  1.080
   40    44   465.000  1.376
   44    45   745.000  1.250
   44    49   270.000  1.512
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    35.00000  117.00000
   33    40    44    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    70.00000  124.00000
   42    38    39    35.00000  120.00000
   42    46    47    35.00000  109.50000
   42    46    48    35.00000  109.50000
   42    46    52    70.00000  110.12100
   46    42    43    35.00000  117.00000
   46    52    53    35.00000  117.00000
   46    52    57    70.00000  124.00000
   48    46    47    33.00000  107.80000
   52    46    47    35.00000  109.50000
   52    46    48    35.00000  109.50000
   52    57    58    35.00000  120.00000
   52    57    62    70.00000  124.00000
   57    52    53    35.00000  120.00000
   57    62    63    35.00000  109.50000
   57    62    64    35.00000  109.50000
   57    62    68    70.00000  110.12100
   62    57    58    35.00000  117.00000
   62    68    69    35.00000  117.00000
   62    68    74    70.00000  124.00000
   64    62    63    33.00000  107.80000
   68    62    63    35.00000  109.50000
   68    62    64    35.00000  109.50000
   68    74    75    35.00000  120.00000
   68    74    76    70.00000  124.00000
   74    68    69    35.00000  120.00000
   74    76    77    35.00000  109.50000
   74    76    78    35.00000  109.50000
   74    76    79    70.00000  112.02700
   76    74    75    35.00000  117.00000
   76    79    80    37.50000  110.70000
   76    79    81    37.50000  110.70000
   76    79    82    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    37.50000  110.70000
   79    76    78    37.50000  110.70000
   79    82    83    37.50000  110.70000
   79    82    84    37.50000  110.70000
   79    82    85    70.00000  109.69300
   81    79    80    33.00000  107.80000
   82    79    80    37.50000  110.70000
   82    79    81    37.50000  110.70000
   82    85    86    70.00000  117.00000
   82    85    87    70.00000  117.00000
   84    82    83    33.00000  107.80000
   85    82    83    35.00000  109.50000
   85    82    84    35.00000  109.50000
   87    85    86    80.00000  126.00000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
   40    44    45    65.00000  137.10300
   40    44    49    65.00000  122.18000
   44    40    41    40.00000  120.50800
   44    49    50    45.00000  110.52000
   44    49    51    45.00000  110.52000
   44    49    54    70.00000  112.02700
   49    44    45    85.00000  112.85300
   49    54    55    37.50000  110.70000
   49    54    56    37.50000  110.70000
   49    54    59    58.35000  112.70000
   51    49    50    33.00000  107.80000
   54    49    50    37.50000  110.70000
   54    49    51    37.50000  110.70000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   54    59    65    58.35000  112.70000
   56    54    55    33.00000  107.80000
   59    54    55    37.50000  110.70000
   59    54    56    37.50000  110.70000
   59    65    66    37.50000  110.70000
   59    65    67    37.50000  110.70000
   59    65    70    58.35000  112.70000
   61    59    60    33.00000  107.80000
   65    59    60    37.50000  110.70000
   65    59    61    37.50000  110.70000
   65    70    71    37.50000  110.70000
   65    70    72    37.50000  110.70000
   65    70    73    37.50000  110.70000
   67    65    66    33.00000  107.80000
   70    65    66    37.50000  110.70000
   70    65    67    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
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.00000  1.0 1.0
   29    33    40    44   0.42700  1.0 1.0
   29    33    40    44  -0.70350 -1.0 2.0
   29    33    40    44  -0.43150  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    40    44    45   7.00000 -1.0 2.0
   33    40    44    49   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.33100  1.0 3.0
   34    33    40    44   0.00000  1.0 1.0
   38    33    40    41   0.00000  1.0 1.0
   38    33    40    44  -0.28300  1.0 1.0
   38    33    40    44   0.26700 -1.0 2.0
   38    33    40    44  -0.63300  1.0 3.0
   38    42    46    47   0.00000  1.0 1.0
   38    42    46    48   0.00000  1.0 1.0
   38    42    46    52  -0.28300  1.0 1.0
   38    42    46    52   0.26700 -1.0 2.0
   38    42    46    52  -0.63300  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   42    46    52    53   0.00000  1.0 1.0
   42    46    52    57  -0.28300  1.0 1.0
   42    46    52    57   0.26700 -1.0 2.0
   42    46    52    57  -0.63300  1.0 3.0
   43    42    46    47   0.33100  1.0 3.0
   43    42    46    48   0.33100  1.0 3.0
   43    42    46    52   0.00000  1.0 1.0
   46    52    57    58   7.00000 -1.0 2.0
   46    52    57    62   7.00000 -1.0 2.0
   47    46    52    53   0.33100  1.0 3.0
   47    46    52    57   0.00000  1.0 1.0
   48    46    52    53   0.33100  1.0 3.0
   48    46    52    57   0.00000  1.0 1.0
   52    57    62    63   0.00000  1.0 1.0
   52    57    62    64   0.00000  1.0 1.0
   52    57    62    68  -0.28300  1.0 1.0
   52    57    62    68   0.26700 -1.0 2.0
   52    57    62    68  -0.63300  1.0 3.0
   53    52    57    58   7.00000 -1.0 2.0
   53    52    57    62   7.00000 -1.0 2.0
   57    62    68    69   0.00000  1.0 1.0
   57    62    68    74  -0.28300  1.0 1.0
   57    62    68    74   0.26700 -1.0 2.0
   57    62    68    74  -0.63300  1.0 3.0
   58    57    62    63   0.33100  1.0 3.0
   58    57    62    64   0.33100  1.0 3.0
   58    57    62    68   0.00000  1.0 1.0
   62    68    74    75   7.00000 -1.0 2.0
   62    68    74    76   7.00000 -1.0 2.0
   63    62    68    69   0.33100  1.0 3.0
   63    62    68    74   0.00000  1.0 1.0
   64    62    68    69   0.33100  1.0 3.0
   64    62    68    74   0.00000  1.0 1.0
   68    74    76    77   0.00000  1.0 1.0
   68    74    76    78   0.00000  1.0 1.0
   68    74    76    79   0.09850  1.0 1.0
   68    74    76    79   0.15250 -1.0 2.0
   68    74    76    79  -0.50650  1.0 3.0
   69    68    74    75   7.00000 -1.0 2.0
   69    68    74    76   7.00000 -1.0 2.0
   74    76    79    80   0.15000  1.0 3.0
   74    76    79    81   0.15000  1.0 3.0
   74    76    79    82   0.34400  1.0 1.0
   74    76    79    82   0.09450 -1.0 2.0
   74    76    79    82   0.11100  1.0 3.0
   75    74    76    77   0.33100  1.0 3.0
   75    74    76    78   0.33100  1.0 3.0
   75    74    76    79   0.00000  1.0 1.0
   76    79    82    83   0.15000  1.0 3.0
   76    79    82    84   0.15000  1.0 3.0
   76    79    82    85  -1.63150  1.0 1.0
   76    79    82    85  -0.43550 -1.0 2.0
   76    79    82    85   0.24500  1.0 3.0
   77    76    79    80   0.15000  1.0 3.0
   77    76    79    81   0.15000  1.0 3.0
   77    76    79    82   0.15000  1.0 3.0
   78    76    79    80   0.15000  1.0 3.0
   78    76    79    81   0.15000  1.0 3.0
   78    76    79    82   0.15000  1.0 3.0
   79    82    85    86   0.41150 -1.0 2.0
   79    82    85    87   0.41150 -1.0 2.0
   80    79    82    83   0.15000  1.0 3.0
   80    79    82    84   0.15000  1.0 3.0
   80    79    82    85  -0.11250  1.0 3.0
   81    79    82    83   0.15000  1.0 3.0
   81    79    82    84   0.15000  1.0 3.0
   81    79    82    85  -0.11250  1.0 3.0
   83    82    85    86   0.00000  1.0 1.0
   83    82    85    87   0.00000  1.0 1.0
   84    82    85    86   0.00000  1.0 1.0
   84    82    85    87   0.00000  1.0 1.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42  -0.28300  1.0 1.0
   40    33    38    42   0.26700 -1.0 2.0
   40    33    38    42  -0.63300  1.0 3.0
   40    44    49    50   0.00000  1.0 1.0
   40    44    49    51   0.00000  1.0 1.0
   40    44    49    54   0.09850  1.0 1.0
   40    44    49    54   0.15250 -1.0 2.0
   40    44    49    54  -0.50650  1.0 3.0
   41    40    44    45   7.00000 -1.0 2.0
   41    40    44    49   7.00000 -1.0 2.0
   44    49    54    55   0.15000  1.0 3.0
   44    49    54    56   0.15000  1.0 3.0
   44    49    54    59   0.34400  1.0 1.0
   44    49    54    59   0.09450 -1.0 2.0
   44    49    54    59   0.11100  1.0 3.0
   45    44    49    50   0.00000  1.0 1.0
   45    44    49    51   0.00000  1.0 1.0
   45    44    49    54   0.09700  1.0 1.0
   45    44    49    54   0.15600 -1.0 2.0
   45    44    49    54  -0.50800  1.0 3.0
   49    54    59    60   0.15000  1.0 3.0
   49    54    59    61   0.15000  1.0 3.0
   49    54    59    65   0.56750  1.0 1.0
   49    54    59    65  -0.07550 -1.0 2.0
   49    54    59    65   0.20000  1.0 3.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    56   0.15000  1.0 3.0
   50    49    54    59   0.15000  1.0 3.0
   51    49    54    55   0.15000  1.0 3.0
   51    49    54    56   0.15000  1.0 3.0
   51    49    54    59   0.15000  1.0 3.0
   54    59    65    66   0.15000  1.0 3.0
   54    59    65    67   0.15000  1.0 3.0
   54    59    65    70   0.56750  1.0 1.0
   54    59    65    70  -0.07550 -1.0 2.0
   54    59    65    70   0.20000  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    61   0.15000  1.0 3.0
   55    54    59    65   0.15000  1.0 3.0
   56    54    59    60   0.15000  1.0 3.0
   56    54    59    61   0.15000  1.0 3.0
   56    54    59    65   0.15000  1.0 3.0
   59    65    70    71   0.15000  1.0 3.0
   59    65    70    72   0.15000  1.0 3.0
   59    65    70    73   0.15000  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    67   0.15000  1.0 3.0
   60    59    65    70   0.15000  1.0 3.0
   61    59    65    66   0.15000  1.0 3.0
   61    59    65    67   0.15000  1.0 3.0
   61    59    65    70   0.15000  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
   67    65    70    71   0.15000  1.0 3.0
   67    65    70    72   0.15000  1.0 3.0
   67    65    70    73   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42  15.00000 -1.0 2.0
   46    43    42    38  15.00000 -1.0 2.0
   46    53    52    57  15.00000 -1.0 2.0
   62    58    57    52  15.00000 -1.0 2.0
   62    69    68    74  15.00000 -1.0 2.0
   76    75    74    68  15.00000 -1.0 2.0
   86    82    85    87  10.50000 -1.0 2.0
   33    41    40    44  15.00000 -1.0 2.0
   49    45    44    40  15.00000 -1.0 2.0
END
