* LIGAND DATABASE FILE (OPLS2005)
*
001      78    78    144    222     435
    1     0 S   NP   _N1_     1    28.61495    95.20906   -21.79137
    2     1 S   H    _HN1     2     1.02776    92.67396   -77.04272
    3     1 S   H    _H1_     3     1.02963    84.72579    31.12638
    4     1 S   H    _H2_     4     1.02834    33.32401   163.65160
    5     1 S   CT   _CA1     5     1.50122   143.39210   148.65135
    6     5 S   HC   _HA1     6     1.09578   105.22353    67.82895
    7     5 S   CO3  _C1_     7     1.53779   112.41119   -52.33085
    8     7 S   O2Z  _O11     8     1.26353   115.00349   -43.49931
    9     7 S   O2Z  _O12     9     1.26244   114.91910   135.68935
   10     5 S   CT   _CB1    10     1.53102   107.42157  -174.31142
   11    10 S   HC   HB11    11     1.09822   109.26992   -51.29747
   12    10 S   HC   HB12    12     1.09819   110.43279    65.23124
   13    10 S   CT   _CG1    13     1.53004   112.69552  -172.44539
   14    13 S   HC   HG11    14     1.09600   110.39180   -64.42098
   15    13 S   HC   HG12    15     1.09654   110.00748    54.78089
   16    13 S   C    _CD1    16     1.51826   112.37078   175.06692
   17    16 S   O    _OE1    17     1.22717   123.28408    -3.47570
   18    16 S   N    _N2_    18     1.38637   111.61331   176.88624
   19    18 S   H    _HN2    19     1.01586   118.99122     0.91107
   20    18 S   CT1  _CA2    20     1.46184   123.40756   179.66428
   21    20 S   HC   _HA2    21     1.09734   109.40834    -8.88544
   22    20 S   C    _C2_    22     1.53467   108.30554  -124.48307
   23    22 S   O    _O2_    23     1.23023   122.21398  -145.46601
   24    20 S   CT   _CB2    32     1.53401   111.58374   113.23040
   25    24 S   HC   HB21    33     1.09598   109.91755    55.12339
   26    24 S   HC   HB22    34     1.09433   110.09457   173.98080
   27    22 S   N    _N3_    24     1.38494   113.42110    41.84074
   28    27 S   H    _HN3    25     1.01519   118.94518    -0.59017
   29    24 S   S    _SG2    35     1.82907   111.80268   -65.75497
   30    27 S   CT   _CA3    26     1.45458   123.50398   175.18387
   31    30 S   HC   HA31    27     1.09518   109.31943    22.88865
   32    30 S   HC   HA32    28     1.09498   107.10356   139.90285
   33    29 S   CT   _C15    36     1.84509    99.60851   174.57953
   34    33 S   HC   _H3_    37     1.09033   104.04138   -41.95097
   35    30 S   CO3  _C3_    29     1.52917   113.04649  -100.64646
   36    35 S   O2Z  _O31    30     1.26407   115.37559   -45.18641
   37    35 S   O2Z  _O32    31     1.26350   115.00184   135.73115
   38    33 S   CT   _C8_    38     1.54536   111.53217    74.44863
   39    38 S   HC   _H25    39     1.09704   110.64803    99.86574
   40    38 S   HC   _H26    40     1.09665   111.35669   -17.04021
   41    33 S   CT   _C12    57     1.55428   111.92768  -159.74669
   42    41 S   HC   _H32    58     1.09315   108.76611  -158.32973
   43    38 S   CT   _C7_    41     1.54291   113.48068  -137.20040
   44    43 S   HC   _H23    42     1.09857   108.07433  -178.35741
   45    43 S   HC   _H24    43     1.09769   108.90318    68.24665
   46    41 S   CO4  _C6_    59     1.52677   112.31720   -45.03115
   47    46 S   O    _O16    60     1.22694   124.78447   127.84257
   48    46 S   HC   _H22    61     1.10399   115.26371   -54.43440
   49    43 S   CM   _C4_    44     1.51701   115.97116   -55.88870
   50    49 S   CT   _C11    45     1.51970   116.53342   104.33612
   51    50 S   HC   _H31    46     1.09396   109.88533   -24.64358
   52    49 S   CM   _C5_    76     1.34400   119.91472   -79.36221
   53    52 S   HC   _H20    77     1.08420   122.05681  -177.22145
   54    52 S   HC   _H21    78     1.08552   121.09875     2.10840
   55    50 S   CT   _C14    47     1.55308   118.26842  -149.82387
   56    55 S   HC   _H34    48     1.09450   107.11512   -68.22294
   57    50 S   OH   _O17    74     1.43752   107.23385    88.70536
   58    57 S   HO   _H43    75     0.97221   107.91005   -53.70095
   59    55 S   CT   _C13    49     1.56282   116.67720    55.20361
   60    59 S   HC   _H33    50     1.09367   107.18717   -62.13243
   61    55 S   OH   _O18    72     1.43570   108.76163   178.56074
   62    61 S   HO   _H44    73     0.97147   108.33409   -56.90820
   63    59 S   CT   _C10    51     1.55958   111.77868    57.83718
   64    63 S   HC   _H29    52     1.09751   109.60305   105.73382
   65    63 S   HC   _H30    53     1.09174   111.51956    -8.54498
   66    59 S   CT   _C18    62     1.57241   111.58706  -177.71090
   67    66 S   HC   _H42    63     1.09780   108.89999   -65.22386
   68    63 S   CT   _C9_    54     1.54230   114.97398  -132.52561
   69    68 S   HC   _H27    55     1.09746   108.36660  -174.68323
   70    68 S   HC   _H28    56     1.09584   108.59977   -60.50692
   71    66 S   CT   _C16    64     1.53543   112.59433    53.86829
   72    71 S   HC   _H36    65     1.09512   111.19290    52.65942
   73    71 S   HC   _H37    66     1.09378   111.57839   -68.68379
   74    71 S   HC   _H38    67     1.09573   111.00161   172.82695
   75    66 S   CT   _C17    68     1.53531   112.28098   175.95151
   76    75 S   HC   _H39    69     1.09516   111.16173   -55.71454
   77    75 S   HC   _H40    70     1.09574   110.89945  -175.69953
   78    75 S   HC   _H41    71     1.09341   111.70190    65.64830
  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  10   5   4   3
  17   8   2   1   1  12   6   5  12   7  10   4   3   6   2   1
  11  14   7   4   1   1  15   7   3   1  19   9   3   1   9   5
   4  10   8   2   1   1   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    68    41    42    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    45    49    63    68    69    70    41    42    46    47    48  
   38    39    40    43    68    41    42    46  
   36    37  
   37  
    0  
   39    40    43    44    45    49    50    68    41    42    46    52  
   40    43    44    45    49    41  
   43    44    45    49    41  
   42    46    47    48    43    59    63    64    65    68    69    70  
   46    47    48    63    68    69    70  
   44    45    49    50    51    55    57    52    53    54  
   45    49    50    52  
   49    50    52  
   47    48    63    68    69    70  
   48    68  
   68  
   50    51    55    56    59    61    57    58    52    53    54  
   51    55    56    59    60    63    66    61    62    57    58    52    53    54  
   55    56    59    61    57    58    52  
   53    54    55    57  
   54  
    0  
   56    59    60    63    64    65    68    66    67    71    75    61    62    57    58  
   59    60    63    66    61    62    57  
   58    59    61  
    0  
   60    63    64    65    68    69    70    66    67    71    72    73    74    75    76    77    78    61    62  
   63    64    65    68    66    67    71    75    61  
   62    63    66  
    0  
   64    65    68    69    70    66    67    71    75  
   65    68    69    70    66  
   68    69    70    66  
   67    71    72    73    74    75    76    77    78    68  
   71    72    73    74    75    76    77    78  
   69    70  
   70  
    0  
   72    73    74    75    76    77    78  
   73    74    75  
   74    75  
   75  
   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  -0.335000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   48   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   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   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    49   317.000  1.510
   49    50   317.000  1.510
   49    52   549.000  1.340
   50    51   340.000  1.090
   50    55   268.000  1.529
   50    57   320.000  1.410
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    61   320.000  1.410
   59    60   340.000  1.090
   59    63   268.000  1.529
   59    66   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    41   268.000  1.529
   41    42   340.000  1.090
   41    46   317.000  1.522
   46    47   570.000  1.229
   46    48   340.000  1.090
   66    67   340.000  1.090
   66    71   268.000  1.529
   66    75   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   61    62   553.000  0.945
   57    58   553.000  0.945
   52    53   340.000  1.080
   52    54   340.000  1.080
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  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    41    68    58.35000  112.70000
   33    41    42    37.50000  110.70000
   33    41    46    63.00000  111.10000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    45    37.50000  110.70000
   38    43    49    70.00000  112.02700
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    49    50    65.00000  117.92700
   43    49    52    70.00000  124.00000
   45    43    44    33.00000  107.80000
   49    43    44    35.00000  109.50000
   49    43    45    35.00000  109.50000
   49    50    51    35.00000  109.50000
   49    50    55    70.00000  112.02700
   49    50    57    90.00000  110.39200
   49    52    53    35.00000  120.00000
   49    52    54    35.00000  120.00000
   50    55    56    37.50000  110.70000
   50    55    59    58.35000  112.70000
   50    55    61    50.00000  109.50000
   50    57    58    55.00000  108.50000
   55    50    51    37.50000  110.70000
   55    59    60    37.50000  110.70000
   55    59    63    58.35000  112.70000
   55    59    66    58.35000  112.70000
   55    61    62    55.00000  108.50000
   59    55    56    37.50000  110.70000
   59    63    64    37.50000  110.70000
   59    63    65    37.50000  110.70000
   59    63    68    58.35000  112.70000
   59    66    67    37.50000  110.70000
   59    66    71    58.35000  112.70000
   59    66    75    58.35000  112.70000
   63    59    60    37.50000  110.70000
   63    68    69    37.50000  110.70000
   63    68    70    37.50000  110.70000
   63    68    41    58.35000  112.70000
   65    63    64    33.00000  107.80000
   68    63    64    37.50000  110.70000
   68    63    65    37.50000  110.70000
   68    41    42    37.50000  110.70000
   68    41    46    63.00000  111.10000
   70    68    69    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    68    69    37.50000  110.70000
   41    68    70    37.50000  110.70000
   41    46    47    80.00000  120.40000
   41    46    48    35.00000  115.00000
   46    41    42    35.00000  109.50000
   48    46    47    35.00000  123.00000
   66    59    60    37.50000  110.70000
   66    59    63    58.35000  112.70000
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    74    37.50000  110.70000
   66    75    76    37.50000  110.70000
   66    75    77    37.50000  110.70000
   66    75    78    37.50000  110.70000
   71    66    67    37.50000  110.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   75    66    67    37.50000  110.70000
   75    66    71    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   61    55    56    35.00000  109.50000
   61    55    59    50.00000  109.50000
   57    50    51    35.00000  109.50000
   57    50    55    50.00000  109.50000
   52    49    50    70.00000  124.00000
   54    52    53    35.00000  117.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    41    68   0.44750  1.0 1.0
   29    33    41    68  -0.17800 -1.0 2.0
   29    33    41    68   0.20200  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    46   0.56750  1.0 1.0
   29    33    41    46  -0.07550 -1.0 2.0
   29    33    41    46   0.20000  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    45   0.15000  1.0 3.0
   33    38    43    49   0.34400  1.0 1.0
   33    38    43    49   0.09450 -1.0 2.0
   33    38    43    49   0.11100  1.0 3.0
   33    41    46    47   0.30150 -1.0 2.0
   33    41    46    48   0.74550  1.0 1.0
   33    41    46    48  -0.00500 -1.0 2.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    41    68   0.15000  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    46  -0.11250  1.0 3.0
   38    33    41    68   0.56750  1.0 1.0
   38    33    41    68  -0.07550 -1.0 2.0
   38    33    41    68   0.20000  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    46  -0.95700  1.0 1.0
   38    33    41    46  -0.18200 -1.0 2.0
   38    33    41    46   0.29450  1.0 3.0
   38    43    49    50   0.46850  1.0 1.0
   38    43    49    50   0.08550 -1.0 2.0
   38    43    49    50   0.09800  1.0 3.0
   38    43    49    52   0.09850  1.0 1.0
   38    43    49    52   0.15250 -1.0 2.0
   38    43    49    52  -0.50650  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    45   0.15000  1.0 3.0
   39    38    43    49   0.15000  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    45   0.15000  1.0 3.0
   40    38    43    49   0.15000  1.0 3.0
   43    49    50    51   0.34800  1.0 3.0
   43    49    50    55   0.46850  1.0 1.0
   43    49    50    55   0.08550 -1.0 2.0
   43    49    50    55   0.09800  1.0 3.0
   43    49    50    57   0.18000  1.0 1.0
   43    49    50    57   0.16450 -1.0 2.0
   43    49    50    57   0.04450  1.0 3.0
   43    49    52    53   7.00000 -1.0 2.0
   43    49    52    54   7.00000 -1.0 2.0
   44    43    49    50   0.34800  1.0 3.0
   44    43    49    52   0.00000  1.0 1.0
   45    43    49    50   0.34800  1.0 3.0
   45    43    49    52   0.00000  1.0 1.0
   49    50    55    56   0.15000  1.0 3.0
   49    50    55    59   0.34400  1.0 1.0
   49    50    55    59   0.09450 -1.0 2.0
   49    50    55    59   0.11100  1.0 3.0
   49    50    55    61   1.05650  1.0 1.0
   49    50    55    61   0.15600 -1.0 2.0
   49    50    55    61   0.53150  1.0 3.0
   49    50    57    58  -0.07800  1.0 1.0
   49    50    57    58  -0.21500 -1.0 2.0
   49    50    57    58  -0.03150  1.0 3.0
   50    49    52    53   7.00000 -1.0 2.0
   50    49    52    54   7.00000 -1.0 2.0
   50    55    59    60   0.15000  1.0 3.0
   50    55    59    63   0.56750  1.0 1.0
   50    55    59    63  -0.07550 -1.0 2.0
   50    55    59    63   0.20000  1.0 3.0
   50    55    59    66   0.56750  1.0 1.0
   50    55    59    66  -0.07550 -1.0 2.0
   50    55    59    66   0.20000  1.0 3.0
   50    55    61    62  -0.11600  1.0 1.0
   50    55    61    62  -0.09450 -1.0 2.0
   50    55    61    62   0.21250  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    59   0.15000  1.0 3.0
   51    50    55    61   0.23400  1.0 3.0
   51    50    57    58   0.19450  1.0 3.0
   55    50    57    58  -0.11600  1.0 1.0
   55    50    57    58  -0.09450 -1.0 2.0
   55    50    57    58   0.21250  1.0 3.0
   55    59    63    64   0.15000  1.0 3.0
   55    59    63    65   0.15000  1.0 3.0
   55    59    63    68   0.56750  1.0 1.0
   55    59    63    68  -0.07550 -1.0 2.0
   55    59    63    68   0.20000  1.0 3.0
   55    59    66    67   0.15000  1.0 3.0
   55    59    66    71   0.56750  1.0 1.0
   55    59    66    71  -0.07550 -1.0 2.0
   55    59    66    71   0.20000  1.0 3.0
   55    59    66    75   0.56750  1.0 1.0
   55    59    66    75  -0.07550 -1.0 2.0
   55    59    66    75   0.20000  1.0 3.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    63   0.15000  1.0 3.0
   56    55    59    66   0.15000  1.0 3.0
   56    55    61    62   0.19450  1.0 3.0
   59    55    61    62  -0.11600  1.0 1.0
   59    55    61    62  -0.09450 -1.0 2.0
   59    55    61    62   0.21250  1.0 3.0
   59    63    68    69   0.15000  1.0 3.0
   59    63    68    70   0.15000  1.0 3.0
   59    63    68    41   0.56750  1.0 1.0
   59    63    68    41  -0.07550 -1.0 2.0
   59    63    68    41   0.20000  1.0 3.0
   59    66    71    72   0.15000  1.0 3.0
   59    66    71    73   0.15000  1.0 3.0
   59    66    71    74   0.15000  1.0 3.0
   59    66    75    76   0.15000  1.0 3.0
   59    66    75    77   0.15000  1.0 3.0
   59    66    75    78   0.15000  1.0 3.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    65   0.15000  1.0 3.0
   60    59    63    68   0.15000  1.0 3.0
   60    59    66    67   0.15000  1.0 3.0
   60    59    66    71   0.15000  1.0 3.0
   60    59    66    75   0.15000  1.0 3.0
   63    59    66    67   0.15000  1.0 3.0
   63    59    66    71   0.56750  1.0 1.0
   63    59    66    71  -0.07550 -1.0 2.0
   63    59    66    71   0.20000  1.0 3.0
   63    59    66    75   0.56750  1.0 1.0
   63    59    66    75  -0.07550 -1.0 2.0
   63    59    66    75   0.20000  1.0 3.0
   63    68    41    33   0.56750  1.0 1.0
   63    68    41    33  -0.07550 -1.0 2.0
   63    68    41    33   0.20000  1.0 3.0
   63    68    41    42   0.15000  1.0 3.0
   63    68    41    46  -0.95700  1.0 1.0
   63    68    41    46  -0.18200 -1.0 2.0
   63    68    41    46   0.29450  1.0 3.0
   64    63    68    69   0.15000  1.0 3.0
   64    63    68    70   0.15000  1.0 3.0
   64    63    68    41   0.15000  1.0 3.0
   65    63    68    69   0.15000  1.0 3.0
   65    63    68    70   0.15000  1.0 3.0
   65    63    68    41   0.15000  1.0 3.0
   68    41    46    47   0.30150 -1.0 2.0
   68    41    46    48   0.74550  1.0 1.0
   68    41    46    48  -0.00500 -1.0 2.0
   69    68    41    33   0.15000  1.0 3.0
   69    68    41    42   0.15000  1.0 3.0
   69    68    41    46  -0.11250  1.0 3.0
   70    68    41    33   0.15000  1.0 3.0
   70    68    41    42   0.15000  1.0 3.0
   70    68    41    46  -0.11250  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.56750  1.0 1.0
   41    33    38    43  -0.07550 -1.0 2.0
   41    33    38    43   0.20000  1.0 3.0
   42    41    46    47   0.00000  1.0 1.0
   42    41    46    48   0.00000  1.0 1.0
   66    59    63    64   0.15000  1.0 3.0
   66    59    63    65   0.15000  1.0 3.0
   66    59    63    68   0.56750  1.0 1.0
   66    59    63    68  -0.07550 -1.0 2.0
   66    59    63    68   0.20000  1.0 3.0
   67    66    71    72   0.15000  1.0 3.0
   67    66    71    73   0.15000  1.0 3.0
   67    66    71    74   0.15000  1.0 3.0
   67    66    75    76   0.15000  1.0 3.0
   67    66    75    77   0.15000  1.0 3.0
   67    66    75    78   0.15000  1.0 3.0
   71    66    75    76   0.15000  1.0 3.0
   71    66    75    77   0.15000  1.0 3.0
   71    66    75    78   0.15000  1.0 3.0
   75    66    71    72   0.15000  1.0 3.0
   75    66    71    73   0.15000  1.0 3.0
   75    66    71    74   0.15000  1.0 3.0
   61    55    59    60   0.23400  1.0 3.0
   61    55    59    63   0.86500  1.0 1.0
   61    55    59    63  -0.17500 -1.0 2.0
   61    55    59    63   0.20800  1.0 3.0
   61    55    59    66   0.86500  1.0 1.0
   61    55    59    66  -0.17500 -1.0 2.0
   61    55    59    66   0.20800  1.0 3.0
   57    50    55    56   0.23400  1.0 3.0
   57    50    55    59   0.86500  1.0 1.0
   57    50    55    59  -0.17500 -1.0 2.0
   57    50    55    59   0.20800  1.0 3.0
   57    50    55    61   3.75450  1.0 1.0
   52    49    50    51   0.00000  1.0 1.0
   52    49    50    55   0.09850  1.0 1.0
   52    49    50    55   0.15250 -1.0 2.0
   52    49    50    55  -0.50650  1.0 3.0
   52    49    50    57   0.67800  1.0 1.0
   52    49    50    57   0.47050 -1.0 2.0
   52    49    50    57  -0.62500  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
   43    50    49    52   1.10000 -1.0 2.0
   41    48    46    47  10.50000 -1.0 2.0
   53    54    52    49   1.10000 -1.0 2.0
END
