* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    151    233     434
    1     0 S   NP   _N1_     1    27.89297    97.57010   -21.54250
    2     1 S   H    _HN1     2     1.02836    43.83899   149.88439
    3     1 S   H    _H1_     3     1.02774    97.26696  -101.76256
    4     1 S   H    _H2_     4     1.02960    70.55507     5.18848
    5     1 S   CT   _CA1     5     1.50155   147.44149   102.79624
    6     5 S   HC   _HA1     6     1.09577   105.17901    92.00943
    7     5 S   CO3  _C1_     7     1.53779   112.40699   -28.07486
    8     7 S   O2Z  _O11     8     1.26363   114.99390   -42.04098
    9     7 S   O2Z  _O12     9     1.26240   114.94194   136.96181
   10     5 S   CT   _CB1    10     1.53095   107.40026  -150.12620
   11    10 S   HC   HB11    11     1.09826   109.24226   -50.59225
   12    10 S   HC   HB12    12     1.09815   110.44207    65.93828
   13    10 S   CT   _CG1    13     1.53020   112.72796  -171.69768
   14    13 S   HC   HG11    14     1.09594   110.45682   -65.73004
   15    13 S   HC   HG12    15     1.09660   109.92391    53.46494
   16    13 S   C    _CD1    16     1.51858   112.35122   173.74655
   17    16 S   O    _OE1    17     1.22748   123.28760    -0.13988
   18    16 S   N    _N2_    18     1.38602   111.70052  -179.81869
   19    18 S   H    _HN2    19     1.01548   118.96100     4.27068
   20    18 S   CT1  _CA2    20     1.45801   122.80597   177.81251
   21    20 S   HC   _HA2    21     1.09550   108.44400    25.78297
   22    20 S   C    _C2_    22     1.52908   107.54075   -90.60345
   23    22 S   O    _O2_    23     1.22917   123.27558   -25.21609
   24    20 S   CT   _CB2    32     1.53181   112.04021   149.53870
   25    24 S   HC   HB21    33     1.09648   109.91941    48.35047
   26    24 S   HC   HB22    34     1.09535   111.74467   166.15250
   27    22 S   N    _N3_    24     1.38512   112.16849   157.52804
   28    27 S   H    _HN3    25     1.01588   120.11191    -2.41427
   29    24 S   S    _SG2    35     1.82513   112.45315   -70.93769
   30    27 S   CT   _CA3    26     1.45291   122.88382   178.36841
   31    30 S   HC   HA31    27     1.09554   107.98574   -53.08824
   32    30 S   HC   HA32    28     1.09550   107.51894    63.35871
   33    29 S   CT   _C21    36     1.83922    99.55983   -90.97671
   34    33 S   HC   _H3_    37     1.09499   105.58092   -60.46562
   35    30 S   CO3  _C3_    29     1.52943   114.04549  -174.98073
   36    35 S   O2Z  _O31    30     1.26367   116.01462     2.47749
   37    35 S   O2Z  _O32    31     1.26404   114.45427  -177.58557
   38    33 S   CM   _C8_    38     1.51260   108.37243  -178.53046
   39    33 S   OS   _O23    66     1.42771   111.35115    58.17813
   40    38 S   CMA  _C9_    39     1.35345   129.23607   -88.29372
   41    40 S   OM   _O19    40     1.26327   128.19395     0.52265
   42    39 S   CO   _C15    67     1.42392   113.52449  -145.36177
   43    42 S   HC   _H34    68     1.09589   110.33847    62.21446
   44    40 S   OS   _O21    41     1.41956   110.28368   179.19303
   45    42 S   CM   _C4_    69     1.47708   108.42100  -176.11320
   46    45 S   HC   _H25    70     1.08060   123.86082   -59.37694
   47    44 S   CT   _C17    42     1.42746   107.92567     6.64954
   48    47 S   HC   _H36    43     1.09550   109.71867  -132.82069
   49    45 S   CM   _C5_    71     1.33041   111.48682   120.52558
   50    47 S   CM   _C7_    44     1.49907   110.88130   103.87370
   51    49 S   CO4  _C10    72     1.46716   106.39172     0.25564
   52    51 S   O    _O20    73     1.21900   125.53934   179.64227
   53    49 S   CT   _C19    75     1.47789   129.95700  -179.82086
   54    53 S   HC   _H38    76     1.09448   110.52018   119.98340
   55    53 S   HC   _H39    77     1.09481   111.42955    -0.00000
   56    53 S   HC   _H40    78     1.09447   110.53245  -119.99802
   57    50 S   CM   _C6_    45     1.33842   111.26352  -124.34712
   58    42 S   OS   _O22    74     1.43168   114.00487   -61.45492
   59    57 S   CT   _C11    46     1.48992   124.57820   177.33200
   60    59 S   HC   _H26    47     1.09625   108.94099   107.47419
   61    59 S   HC   _H27    48     1.09586   110.25622  -134.87336
   62    57 S   CT   _C12    61     1.49247   112.31928    -1.61422
   63    62 S   HC   _H28    62     1.09281   111.45012   132.30490
   64    62 S   HC   _H29    63     1.09583   109.55568  -107.78534
   65    59 S   CT   _C13    49     1.53336   111.47972   -13.86879
   66    65 S   HC   _H30    50     1.09590   109.54894   165.17019
   67    65 S   HC   _H31    51     1.09771   109.50293   -78.00091
   68    38 S   CT   _C18    64     1.49951   119.29516    91.08720
   69    68 S   HC   _H37    65     1.09624   109.71431   -66.96895
   70    65 S   CT   _C14    52     1.53114   111.72056    43.00923
   71    70 S   HC   _H32    53     1.09833   108.75071    63.19161
   72    70 S   HC   _H33    54     1.09674   109.49866   179.38261
   73    50 S   CT   _C16    55     1.50144   124.60662    54.42774
   74    73 S   HC   _H35    56     1.09813   107.44933   -73.44717
   75    73 S   CT   _C20    57     1.52957   112.63100    45.34422
   76    75 S   HC   _H41    58     1.09580   111.46543    58.22755
   77    75 S   HC   _H42    59     1.09524   111.25431   -62.26235
   78    75 S   HC   _H43    60     1.09544   110.68256   178.42878
  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   7   5   4   3
  14   5   2   1   1  14   9   8   3   8   5   8   9   4  13   6
   7  19   6   2   4   2   1   1  15   1  13   6   5   6   3   2
   8   5   4   2   1   8   4   3   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    68    39    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    44    47    62    68    69    39    42    43    45    58  
   38    40    68    39    42  
   36    37  
   37  
    0  
   40    41    44    47    48    50    57    62    63    64    68    69    39    42  
   42    43    45    46    49    51    58    40    68  
   41    44    47    48    50    62    68    69  
   44    47    68  
   43    45    46    49    51    52    58    53  
   45    46    49    51    58  
   47    48    50    57    73    62    68    69  
   46    49    51    52    58    53    54    55    56  
   49    51    58    53  
   48    50    57    59    70    73    74    75    62    63    64    68    69  
   50    57    73    62    68    69  
   51    52    58    53    54    55    56  
   57    59    60    61    65    70    71    72    73    74    75    76    77    78    62    63    64    68    69  
   52    58    53    54    55    56  
   58    53  
   54    55    56    58  
   55    56  
   56  
    0  
   59    60    61    65    66    67    70    73    74    75    62    63    64    68    69  
    0  
   60    61    65    66    67    70    71    72    73    62    63    64    68  
   61    65    66    67    70    62  
   65    66    67    70    62  
   63    64    68    69    65    73  
   64    68    69  
   68    69  
   66    67    70    71    72    73    74    75  
   67    70    71    72    73  
   70    71    72    73  
   69    73  
    0  
   71    72    73    74    75    76    77    78  
   72    73    74    75  
   73    74    75  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78  
   77    78  
   78  
    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  -0.316400   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   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.271400   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   44   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   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    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    39   320.000  1.410
   38    40   465.000  1.376
   38    68   317.000  1.510
   40    41   745.000  1.250
   40    44   440.000  1.360
   44    47   320.000  1.410
   47    48   340.000  1.090
   47    50   317.000  1.510
   47    68   268.000  1.529
   50    57   549.000  1.340
   50    73   317.000  1.510
   57    59   317.000  1.510
   57    62   317.000  1.510
   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   268.000  1.529
   73    74   340.000  1.090
   73    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    68   268.000  1.529
   68    69   340.000  1.090
   39    42   320.000  1.380
   42    43   340.000  1.090
   42    45   317.000  1.510
   42    58   320.000  1.380
   45    46   340.000  1.080
   45    49   549.000  1.340
   49    51   320.000  1.462
   49    53   317.000  1.510
   51    52   570.000  1.229
   51    58   214.000  1.327
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    39    85.00000  114.68000
   33    38    40    70.00000  124.00000
   33    38    68    65.00000  117.92700
   33    39    42    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    44    80.00000  120.01400
   38    68    47    70.00000  112.02700
   38    68    62    70.00000  112.02700
   38    68    69    35.00000  109.50000
   40    44    47    90.00000  111.18400
   44    40    41    65.00000  121.00000
   44    47    48    35.00000  109.50000
   44    47    50    85.00000  110.90400
   44    47    68    50.00000  109.50000
   47    50    57    70.00000  124.00000
   47    50    73    65.00000  117.92700
   47    68    62    58.35000  112.70000
   47    68    69    37.50000  110.70000
   50    47    48    35.00000  109.50000
   50    57    59    70.00000  124.00000
   50    57    62    70.00000  124.00000
   50    73    70    70.00000  112.02700
   50    73    74    35.00000  109.50000
   50    73    75    70.00000  112.02700
   57    59    60    35.00000  109.50000
   57    59    61    35.00000  109.50000
   57    59    65    70.00000  112.02700
   57    62    63    35.00000  109.50000
   57    62    64    35.00000  109.50000
   57    62    68    70.00000  112.02700
   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    58.35000  112.70000
   67    65    66    33.00000  107.80000
   70    65    66    37.50000  110.70000
   70    65    67    37.50000  110.70000
   70    73    74    37.50000  110.70000
   70    73    75    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    50    57    70.00000  124.00000
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    75    76    37.50000  110.70000
   73    75    77    37.50000  110.70000
   73    75    78    37.50000  110.70000
   75    73    74    37.50000  110.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   62    57    59    65.00000  117.92700
   62    68    69    37.50000  110.70000
   64    62    63    33.00000  107.80000
   68    38    40    70.00000  124.00000
   68    47    48    37.50000  110.70000
   68    47    50    70.00000  112.02700
   68    62    63    37.50000  110.70000
   68    62    64    37.50000  110.70000
   39    33    34    35.00000  109.50000
   39    33    38    85.00000  110.90400
   39    42    43    35.00000  109.50000
   39    42    45    85.00000  110.90400
   39    42    58    92.60000  111.55000
   42    45    46    35.00000  117.00000
   42    45    49    70.00000  124.00000
   42    58    51    95.00000  111.08000
   45    42    43    35.00000  109.50000
   45    49    51    65.00000  118.96000
   45    49    53    70.00000  124.00000
   49    45    46    35.00000  120.00000
   49    51    52    80.00000  123.72100
   49    51    58    90.00000  111.29400
   49    53    54    35.00000  109.50000
   49    53    55    35.00000  109.50000
   49    53    56    35.00000  109.50000
   58    42    43    35.00000  109.50000
   58    42    45    85.00000  110.90400
   58    51    52    83.00000  123.40000
   53    49    51    65.00000  116.34900
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  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    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    38    68   0.30250  1.0 1.0
   29    33    38    68  -0.14950 -1.0 2.0
   29    33    38    68   0.36900  1.0 3.0
   29    33    39    42   0.14700  1.0 1.0
   29    33    39    42  -1.16150 -1.0 2.0
   29    33    39    42   0.48700  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    44   7.00000 -1.0 2.0
   33    38    68    47   0.46850  1.0 1.0
   33    38    68    47   0.08550 -1.0 2.0
   33    38    68    47   0.09800  1.0 3.0
   33    38    68    62   0.46850  1.0 1.0
   33    38    68    62   0.08550 -1.0 2.0
   33    38    68    62   0.09800  1.0 3.0
   33    38    68    69   0.34800  1.0 3.0
   33    39    42    43   0.37050  1.0 3.0
   33    39    42    45  -0.77900  1.0 1.0
   33    39    42    45  -0.36900 -1.0 2.0
   33    39    42    45   0.40400  1.0 3.0
   33    39    42    58  -0.53350  1.0 1.0
   33    39    42    58  -0.78350 -1.0 2.0
   33    39    42    58   0.33750  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    68   0.34800  1.0 3.0
   34    33    39    42   0.37050  1.0 3.0
   38    33    39    42  -0.77900  1.0 1.0
   38    33    39    42  -0.36900 -1.0 2.0
   38    33    39    42   0.40400  1.0 3.0
   38    40   -44    47  -2.26850  1.0 1.0
   38    40   -44    47   3.39050 -1.0 2.0
   40    38   -68    47   0.09850  1.0 1.0
   40    38   -68    47   0.15250 -1.0 2.0
   40    38   -68    47  -0.50650  1.0 3.0
   40    38    68    62   0.09850  1.0 1.0
   40    38    68    62   0.15250 -1.0 2.0
   40    38    68    62  -0.50650  1.0 3.0
   40    38    68    69   0.00000  1.0 1.0
   40    44    47    48   0.08050  1.0 3.0
   40    44    47    50  -0.48150  1.0 1.0
   40    44    47    50   0.09250 -1.0 2.0
   40    44    47    50  -0.12850  1.0 3.0
   40    44   -47    68  -0.46850  1.0 1.0
   40    44   -47    68   0.09300 -1.0 2.0
   40    44   -47    68  -0.12850  1.0 3.0
   41    40    44    47   2.00000 -1.0 2.0
   44    47    50    57   0.39000  1.0 1.0
   44    47    50    57  -0.05800 -1.0 2.0
   44    47    50    57  -0.55150  1.0 3.0
   44    47    50    73   0.09700  1.0 1.0
   44    47    50    73   0.15600 -1.0 2.0
   44    47    50    73  -0.50800  1.0 3.0
   44    47   -68    38   0.61850  1.0 1.0
   44    47   -68    38  -0.22750 -1.0 2.0
   44    47   -68    38   0.15300  1.0 3.0
   44    47    68    62   0.62750  1.0 1.0
   44    47    68    62  -0.30950 -1.0 2.0
   44    47    68    62   0.27300  1.0 3.0
   44    47    68    69   0.23400  1.0 3.0
   47    50    57    59   7.00000 -1.0 2.0
   47    50   -57    62   7.00000 -1.0 2.0
   47    50    73    70   0.46850  1.0 1.0
   47    50    73    70   0.08550 -1.0 2.0
   47    50    73    70   0.09800  1.0 3.0
   47    50    73    74   0.34800  1.0 3.0
   47    50    73    75   0.46850  1.0 1.0
   47    50    73    75   0.08550 -1.0 2.0
   47    50    73    75   0.09800  1.0 3.0
   48    47    50    57   0.00000  1.0 1.0
   48    47    50    73   0.34800  1.0 3.0
   48    47    68    38   0.15000  1.0 3.0
   48    47    68    62   0.15000  1.0 3.0
   48    47    68    69   0.15000  1.0 3.0
   50    47    68    38   0.31000  1.0 1.0
   50    47    68    38   0.14700 -1.0 2.0
   50    47    68    38   0.07550  1.0 3.0
   50    47   -68    62   0.34400  1.0 1.0
   50    47   -68    62   0.09450 -1.0 2.0
   50    47   -68    62   0.11100  1.0 3.0
   50    47    68    69   0.15000  1.0 3.0
   50    57    59    60   0.00000  1.0 1.0
   50    57    59    61   0.00000  1.0 1.0
   50    57    59    65   0.09850  1.0 1.0
   50    57    59    65   0.15250 -1.0 2.0
   50    57    59    65  -0.50650  1.0 3.0
   50    57    62    63   0.00000  1.0 1.0
   50    57    62    64   0.00000  1.0 1.0
   50    57   -62    68   0.09850  1.0 1.0
   50    57   -62    68   0.15250 -1.0 2.0
   50    57   -62    68  -0.50650  1.0 3.0
   50    73    75    76   0.15000  1.0 3.0
   50    73    75    77   0.15000  1.0 3.0
   50    73    75    78   0.15000  1.0 3.0
   57    50    73    70   0.09850  1.0 1.0
   57    50    73    70   0.15250 -1.0 2.0
   57    50    73    70  -0.50650  1.0 3.0
   57    50    73    74   0.00000  1.0 1.0
   57    50    73    75   0.09850  1.0 1.0
   57    50    73    75   0.15250 -1.0 2.0
   57    50    73    75  -0.50650  1.0 3.0
   57    59    65    66   0.15000  1.0 3.0
   57    59    65    67   0.15000  1.0 3.0
   57    59   -65    70   0.34400  1.0 1.0
   57    59   -65    70   0.09450 -1.0 2.0
   57    59   -65    70   0.11100  1.0 3.0
   57    62    68    38   0.31000  1.0 1.0
   57    62    68    38   0.14700 -1.0 2.0
   57    62    68    38   0.07550  1.0 3.0
   57    62   -68    47   0.34400  1.0 1.0
   57    62   -68    47   0.09450 -1.0 2.0
   57    62   -68    47   0.11100  1.0 3.0
   57    62    68    69   0.15000  1.0 3.0
   59    57    62    63   0.34800  1.0 3.0
   59    57    62    64   0.34800  1.0 3.0
   59    57    62    68   0.46850  1.0 1.0
   59    57    62    68   0.08550 -1.0 2.0
   59    57    62    68   0.09800  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   0.56750  1.0 1.0
   59    65    70    73  -0.07550 -1.0 2.0
   59    65    70    73   0.20000  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
   65    70   -73    50   0.34400  1.0 1.0
   65    70   -73    50   0.09450 -1.0 2.0
   65    70   -73    50   0.11100  1.0 3.0
   65    70    73    74   0.15000  1.0 3.0
   65    70    73    75   0.56750  1.0 1.0
   65    70    73    75  -0.07550 -1.0 2.0
   65    70    73    75   0.20000  1.0 3.0
   66    65    70    71   0.15000  1.0 3.0
   66    65    70    72   0.15000  1.0 3.0
   66    65    70    73   0.15000  1.0 3.0
   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
   70    73    75    76   0.15000  1.0 3.0
   70    73    75    77   0.15000  1.0 3.0
   70    73    75    78   0.15000  1.0 3.0
   71    70    73    50   0.15000  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75   0.15000  1.0 3.0
   72    70    73    50   0.15000  1.0 3.0
   72    70    73    74   0.15000  1.0 3.0
   72    70    73    75   0.15000  1.0 3.0
   73    50   -57    59   7.00000 -1.0 2.0
   73    50    57    62   7.00000 -1.0 2.0
   74    73    75    76   0.15000  1.0 3.0
   74    73    75    77   0.15000  1.0 3.0
   74    73    75    78   0.15000  1.0 3.0
   62    57    59    60   0.34800  1.0 3.0
   62    57    59    61   0.34800  1.0 3.0
   62    57    59    65   0.46850  1.0 1.0
   62    57    59    65   0.08550 -1.0 2.0
   62    57    59    65   0.09800  1.0 3.0
   63    62    68    38   0.15000  1.0 3.0
   63    62    68    47   0.15000  1.0 3.0
   63    62    68    69   0.15000  1.0 3.0
   64    62    68    38   0.15000  1.0 3.0
   64    62    68    47   0.15000  1.0 3.0
   64    62    68    69   0.15000  1.0 3.0
   68    38    40    41   7.00000 -1.0 2.0
   68    38   -40    44   7.00000 -1.0 2.0
   68    47   -50    57   0.09850  1.0 1.0
   68    47   -50    57   0.15250 -1.0 2.0
   68    47   -50    57  -0.50650  1.0 3.0
   68    47    50    73   0.46850  1.0 1.0
   68    47    50    73   0.08550 -1.0 2.0
   68    47    50    73   0.09800  1.0 3.0
   39    33    38    40   0.39000  1.0 1.0
   39    33    38    40  -0.05800 -1.0 2.0
   39    33    38    40  -0.55150  1.0 3.0
   39    33    38    68   0.09700  1.0 1.0
   39    33    38    68   0.15600 -1.0 2.0
   39    33    38    68  -0.50800  1.0 3.0
   39    42    45    46   0.00000  1.0 1.0
   39    42    45    49   0.39000  1.0 1.0
   39    42    45    49  -0.05800 -1.0 2.0
   39    42    45    49  -0.55150  1.0 3.0
   39    42    58    51  -1.83450  1.0 1.0
   39    42    58    51  -0.02700 -1.0 2.0
   39    42    58    51  -0.20100  1.0 3.0
   42    45   -49    51   7.00000 -1.0 2.0
   42    45    49    53   7.00000 -1.0 2.0
   43    42    45    46   0.33100  1.0 3.0
   43    42    45    49   0.00000  1.0 1.0
   43    42    58    51   0.08050  1.0 3.0
   45    42   -58    51  -0.82050  1.0 1.0
   45    42   -58    51   0.00600 -1.0 2.0
   45    42   -58    51   0.04400  1.0 3.0
   45    49    51    52   1.00000 -1.0 2.0
   45    49   -51    58  -0.56150  1.0 1.0
   45    49   -51    58   2.19150 -1.0 2.0
   45    49    53    54   0.00000  1.0 1.0
   45    49    53    55   0.00000  1.0 1.0
   45    49    53    56   0.00000  1.0 1.0
   46    45    49    51   7.00000 -1.0 2.0
   46    45    49    53   7.00000 -1.0 2.0
   49    51   -58    42   2.00000 -1.0 2.0
   51    49    53    54   0.15000  1.0 3.0
   51    49    53    55   0.15000  1.0 3.0
   51    49    53    56   0.15000  1.0 3.0
   52    51    58    42   3.00000 -1.0 2.0
   58    42    45    46   0.00000  1.0 1.0
   58    42   -45    49   0.39000  1.0 1.0
   58    42   -45    49  -0.05800 -1.0 2.0
   58    42   -45    49  -0.55150  1.0 3.0
   53    49    51    52  -0.64400  1.0 1.0
   53    49    51    52   0.26850 -1.0 2.0
   53    49    51    58  -0.15000  1.0 1.0
   53    49    51    58   0.89550 -1.0 2.0
   53    49    51    58  -0.06900  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
   37    30    35    36  10.50000 -1.0 2.0
   33    68    38    40   1.10000 -1.0 2.0
   41    44    40    38   1.10000 -1.0 2.0
   47    73    50    57   1.10000 -1.0 2.0
   59    62    57    50   1.10000 -1.0 2.0
   42    46    45    49   1.10000 -1.0 2.0
   51    53    49    45   1.10000 -1.0 2.0
   49    58    51    52  10.50000 -1.0 2.0
END
