* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    144    238     430
    1     0 S   NP   _N1_     1    28.84444    96.22286   -24.08449
    2     1 S   H    _HN1     2     1.02947    74.12312    -1.40235
    3     1 S   H    _H1_     3     1.02827    34.05468   163.97165
    4     1 S   H    _H2_     4     1.02795   111.26970  -105.31906
    5     1 S   CT   _CA1     5     1.50124   131.69745   102.04270
    6     5 S   HC   _HA1     6     1.09571   105.18381    91.27037
    7     5 S   CO3  _C1_     7     1.53772   112.35669   -28.99891
    8     7 S   O2Z  _O11     8     1.26378   115.01231   -45.02447
    9     7 S   O2Z  _O12     9     1.26222   114.94465   133.92999
   10     5 S   CT   _CB1    10     1.53046   107.38781  -150.76016
   11    10 S   HC   HB11    11     1.09844   109.39963   -49.13720
   12    10 S   HC   HB12    12     1.09810   110.46614    67.45773
   13    10 S   CT   _CG1    13     1.53022   112.62248  -170.03029
   14    13 S   HC   HG11    14     1.09571   110.77371   -66.20608
   15    13 S   HC   HG12    15     1.09663   109.70314    53.06332
   16    13 S   C    _CD1    16     1.51799   111.87020   173.61942
   17    16 S   O    _OE1    17     1.22769   123.13960    13.21485
   18    16 S   N    _N2_    18     1.38584   111.90843  -166.92085
   19    18 S   H    _HN2    19     1.01622   119.11840     0.75744
   20    18 S   CT1  _CA2    20     1.46297   123.43681   177.75964
   21    20 S   HC   _HA2    21     1.09732   109.22223     9.91502
   22    20 S   C    _C2_    22     1.53706   109.25655  -105.84898
   23    22 S   O    _O2_    23     1.23099   122.18248  -150.84914
   24    20 S   CT   _CB2    32     1.53345   111.27147   131.76457
   25    24 S   HC   HB21    33     1.09409   109.31315    58.49300
   26    24 S   HC   HB22    34     1.09480   110.27553   176.97308
   27    22 S   N    _N3_    24     1.38303   114.02604    36.72466
   28    27 S   H    _HN3    25     1.01522   119.63777    -3.30257
   29    24 S   S    _SG2    35     1.83060   111.16878   -63.48779
   30    27 S   CT   _CA3    26     1.45276   123.27001   177.22343
   31    30 S   HC   HA31    27     1.09548   107.52561   -64.63590
   32    30 S   HC   HA32    28     1.09558   107.98113    51.81839
   33    29 S   CT   _C21    36     1.90190   101.14060   157.89961
   34    30 S   CO3  _C3_    29     1.52974   114.05567   173.82689
   35    34 S   O2Z  _O31    30     1.26386   116.09834     0.23985
   36    34 S   O2Z  _O32    31     1.26432   114.40705  -179.71538
   37    33 S   CO4  _C22    37     1.55286   107.64989   -64.90208
   38    37 S   O    _O37    38     1.23718   121.26964   -22.32912
   39    33 S   CT   _C20    71     1.56579   110.76154    53.34887
   40    39 S   OM   _O39    72     1.32317   111.42918    62.40449
   41    39 S   HC   _H4_    73     1.10089   106.82346   -68.86021
   42    33 S   C    _C23    74     1.56032   104.71695   179.05271
   43    42 S   O    _O38    75     1.22950   124.52864  -117.77096
   44    37 S   CT   _C16    39     1.55024   116.84044   158.07632
   45    44 S   OM   _O40    40     1.32253   105.57192   138.26785
   46    42 S   N    _N4_    76     1.38037   114.38885    63.26861
   47    46 S   H    _H14    77     1.01519   122.03800    -1.40625
   48    46 S   H    _H15    78     1.01324   120.54751   179.46186
   49    44 S   CO4  _C15    41     1.52679   111.66686  -105.89929
   50    49 S   O    _O35    42     1.23195   120.90949   -23.27385
   51    49 S   CA   _C7_    43     1.50757   119.85781   156.69443
   52    51 S   CA   _C6_    44     1.39834   120.25433    -4.03963
   53    52 S   CA   _C5_    45     1.42772   119.45628   177.03067
   54    52 S   CT   _C18    64     1.51732   120.43605    -1.04399
   55    54 S   HC   _H12    65     1.09777   107.98509    99.76900
   56    54 S   HC   _H13    66     1.09662   109.84612  -144.05972
   57    53 S   CA   _C10    46     1.45142   121.81318     8.86534
   58    53 S   CT   _C4_    60     1.51774   117.37237  -169.50210
   59    58 S   HC   _H5_    61     1.09347   110.63719   -98.02247
   60    58 S   HC   _H6_    62     1.09373   112.79766    23.08938
   61    58 S   HC   _H7_    63     1.09377   110.69892   137.83002
   62    44 S   CT   _C17    67     1.53298   112.00058    18.40586
   63    62 S   HC   _H3_    68     1.10038   110.73532    62.58573
   64    57 S   CA   _C9_    47     1.42861   117.12186   -10.10900
   65    62 S   CO4  _C19    69     1.54116   111.68421   -53.63186
   66    65 S   O    _O36    70     1.23518   120.44127  -147.31387
   67    64 S   CA   _C14    48     1.43035   118.64177  -175.13659
   68    51 S   CA   _C8_    57     1.40755   120.78130   175.32010
   69    67 S   CA   _C13    49     1.39055   123.04548    -1.95885
   70    69 S   HA   _H9_    50     1.08589   121.45215  -179.80820
   71    67 S   OH   _O33    55     1.37623   120.47066   178.14966
   72    71 S   HO   _H10    56     0.97149   109.69285   179.73459
   73    68 S   OH   _O34    58     1.37904   119.96864    -1.25226
   74    73 S   HO   _H11    59     0.97221   110.00347    -0.05935
   75    69 S   CA   _C12    51     1.37613   119.00637    -1.55608
   76    75 S   HA   _H8_    52     1.08775   118.81133  -177.18311
   77    57 S   CA   _C11    53     1.44470   126.76874   169.81400
   78    77 S   Cl   Cl1_    54     1.74029   124.30794    -9.70087
  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  11   5   4   3
  16   2   1   1  16   6  11   5   4   6   3  13   7   2   1   1
  11   4  13  16  15   9   4   3  14   5   2   1   1   3   2  11
   1   1   9   5   7   4   2   1   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    65    39    40    41    42    43    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    44    45    49    62    65    66    39    40    41    42    43    46    47    48  
   35    36  
   36  
    0  
   38    44    45    49    50    51    54    62    63    65    39    40    41    42    43    46  
   44    45    49    62    39    42  
   40    41    42    43    46    44    54    62    63    65    66  
   41    42    62    65    66  
   42    62    65    66  
   43    46    47    48    44    65  
   46    47    48  
   45    49    50    51    52    68    54    55    56    62    63    65    66  
   49    50    51    54    62    63    65  
   47    48  
   48  
    0  
   50    51    52    53    64    68    73    54    62    63    65  
   51    52    68    62  
   52    53    57    64    67    68    73    74    58    54    55    56    62  
   53    57    64    77    68    73    58    59    60    61    54    55    56    62    63    65  
   57    64    67    75    77    78    68    58    59    60    61    54    55    56    62  
   55    56    62    63    65    66    57    58    68  
   56    62    63    65  
   62    63    65  
   64    67    69    75    76    77    78    71    68    73    58    59    60    61  
   59    60    61    64    77  
   60    61  
   61  
    0  
   63    65    66  
   65    66  
   67    69    70    75    77    78    71    72    68    73    74  
   66  
    0  
   69    70    75    76    77    71    72    68    73  
   73    74    69    71    77  
   70    75    76    77    78    71    72  
   75    76    77    71  
   72    75  
    0  
   74  
    0  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   44   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   46   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   47   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   48   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   49   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5000   0.0660  -0.005000   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   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    39   268.000  1.529
   33    42   317.000  1.522
   37    38   570.000  1.229
   37    44   317.000  1.522
   44    45   570.000  1.307
   44    49   317.000  1.522
   44    62   268.000  1.529
   49    50   570.000  1.229
   49    51   310.000  1.470
   51    52   469.000  1.400
   51    68   469.000  1.400
   52    53   469.000  1.400
   52    54   317.000  1.510
   53    57   469.000  1.400
   53    58   317.000  1.510
   57    64   469.000  1.400
   57    77   469.000  1.400
   64    67   469.000  1.400
   64    68   469.000  1.400
   67    69   469.000  1.400
   67    71   450.000  1.364
   69    70   367.000  1.080
   69    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   300.000  1.725
   71    72   553.000  0.945
   68    73   450.000  1.364
   73    74   553.000  0.945
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    62   268.000  1.529
   62    63   340.000  1.090
   62    65   317.000  1.522
   65    66   570.000  1.229
   65    39   317.000  1.522
   39    40   570.000  1.307
   39    41   340.000  1.090
   42    43   570.000  1.229
   42    46   490.000  1.335
   46    47   434.000  1.010
   46    48   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    39    75.00000  111.63000
   29    33    42    70.00000  112.33000
   33    37    38    80.00000  120.40000
   33    37    44    70.00000  116.00000
   33    39    65    63.00000  111.10000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   33    42    43    80.00000  120.40000
   33    42    46    70.00000  116.60000
   37    44    45    90.00000  108.74100
   37    44    49    75.00000  107.99600
   37    44    62    63.00000  111.10000
   44    37    38    80.00000  120.40000
   44    49    50    80.00000  120.40000
   44    49    51    65.00000  115.47100
   44    62    54    58.35000  112.70000
   44    62    63    37.50000  110.70000
   44    62    65    63.00000  111.10000
   49    44    45    90.00000  108.74100
   49    51    52    60.00000  119.52600
   49    51    68    60.00000  119.52600
   51    49    50    75.00000  123.78400
   51    52    53    63.00000  120.00000
   51    52    54    70.00000  120.00000
   51    68    64    63.00000  120.00000
   51    68    73    70.00000  120.00000
   52    53    57    63.00000  120.00000
   52    53    58    70.00000  120.00000
   52    54    55    35.00000  109.50000
   52    54    56    35.00000  109.50000
   52    54    62    70.00000  112.17500
   53    57    64    63.00000  120.00000
   53    57    77    63.00000  120.00000
   53    58    59    35.00000  109.50000
   53    58    60    35.00000  109.50000
   53    58    61    35.00000  109.50000
   57    64    67    63.00000  120.00000
   57    64    68    63.00000  120.00000
   57    77    75    63.00000  120.00000
   57    77    78    75.00000  120.00000
   64    67    69    63.00000  120.00000
   64    67    71    70.00000  120.00000
   64    68    73    70.00000  120.00000
   67    69    70    35.00000  120.00000
   67    69    75    63.00000  120.00000
   67    71    72    35.00000  113.00000
   69    75    76    35.00000  120.00000
   69    75    77    63.00000  120.00000
   75    69    70    35.00000  120.00000
   75    77    78    75.00000  120.00000
   77    57    64    63.00000  120.00000
   77    75    76    35.00000  120.00000
   71    67    69    70.00000  120.00000
   68    51    52    63.00000  120.00000
   68    64    67    63.00000  120.00000
   68    73    74    35.00000  113.00000
   58    53    57    70.00000  120.00000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   54    52    53    70.00000  120.00000
   54    62    63    37.50000  110.70000
   54    62    65    63.00000  111.10000
   56    54    55    33.00000  107.80000
   62    44    45    50.00000  109.50000
   62    44    49    63.00000  111.10000
   62    54    55    37.50000  110.70000
   62    54    56    37.50000  110.70000
   62    65    66    80.00000  120.40000
   62    65    39    70.00000  116.00000
   65    62    63    35.00000  109.50000
   65    39    40    90.00000  108.74100
   65    39    41    35.00000  109.50000
   39    33    37    63.00000  111.10000
   39    65    66    80.00000  120.40000
   41    39    40    45.00000  125.66300
   42    33    37    70.00000  107.85200
   42    33    39    63.00000  111.10000
   42    46    47    35.00000  119.80000
   42    46    48    35.00000  119.80000
   46    42    43    80.00000  122.90000
   48    46    47    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    44   0.65300  1.0 1.0
   29    33    37    44  -0.03850 -1.0 2.0
   29    33    37    44   0.33900  1.0 3.0
   29    33    39    65   0.56750  1.0 1.0
   29    33    39    65  -0.07550 -1.0 2.0
   29    33    39    65   0.20000  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    42    43   0.30150 -1.0 2.0
   29    33    42    46   0.00000  1.0 1.0
   33    37    44    45   0.55300  1.0 1.0
   33    37    44    45   1.25850 -1.0 2.0
   33    37    44    45  -0.23600  1.0 3.0
   33    37    44    49   0.65300  1.0 1.0
   33    37    44    49  -0.03850 -1.0 2.0
   33    37    44    49   0.33900  1.0 3.0
   33    37    44    62   0.60050  1.0 1.0
   33    37    44    62   0.05600 -1.0 2.0
   33    37    44    62   0.26150  1.0 3.0
   33    42    46    47   2.45000 -1.0 2.0
   33    42    46    48   2.45000 -1.0 2.0
   37    33    39    65   0.11950  1.0 1.0
   37    33    39    65   0.20300 -1.0 2.0
   37    33    39    65  -0.70800  1.0 3.0
   37    33    39    40  -0.09450  1.0 1.0
   37    33    39    40  -1.12950 -1.0 2.0
   37    33    39    40   0.54000  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    42    43   0.30150 -1.0 2.0
   37    33    42    46   0.00000  1.0 1.0
   37    44    49    50   0.30150 -1.0 2.0
   37    44    49    51   0.65300  1.0 1.0
   37    44    49    51  -0.03850 -1.0 2.0
   37    44    49    51   0.33900  1.0 3.0
   37    44    62    54  -0.95700  1.0 1.0
   37    44    62    54  -0.18200 -1.0 2.0
   37    44    62    54   0.29450  1.0 3.0
   37    44    62    63  -0.11250  1.0 3.0
   37    44   -62    65   0.11950  1.0 1.0
   37    44   -62    65   0.20300 -1.0 2.0
   37    44   -62    65  -0.70800  1.0 3.0
   38    37    44    45   0.30150 -1.0 2.0
   38    37    44    49   0.30150 -1.0 2.0
   38    37    44    62   0.30150 -1.0 2.0
   44    49    51    52   2.26350  1.0 1.0
   44    49    51    52   0.76750 -1.0 2.0
   44    49    51    52   0.22500  1.0 3.0
   44    49    51    68   2.26350  1.0 1.0
   44    49    51    68   0.76750 -1.0 2.0
   44    49    51    68   0.22500  1.0 3.0
   44    62    65    66   0.30150 -1.0 2.0
   44    62    65    39   0.60050  1.0 1.0
   44    62    65    39   0.05600 -1.0 2.0
   44    62    65    39   0.26150  1.0 3.0
   45    44    49    50   0.30150 -1.0 2.0
   45    44    49    51   0.65300  1.0 1.0
   45    44    49    51  -0.03850 -1.0 2.0
   45    44    49    51   0.33900  1.0 3.0
   45    44    62    54   0.62750  1.0 1.0
   45    44    62    54  -0.30950 -1.0 2.0
   45    44    62    54   0.27300  1.0 3.0
   45    44    62    63   0.23400  1.0 3.0
   45    44    62    65  -0.09450  1.0 1.0
   45    44    62    65  -1.12950 -1.0 2.0
   45    44    62    65   0.54000  1.0 3.0
   49    44    62    54  -0.95700  1.0 1.0
   49    44    62    54  -0.18200 -1.0 2.0
   49    44    62    54   0.29450  1.0 3.0
   49    44    62    63  -0.11250  1.0 3.0
   49    44    62    65   0.11950  1.0 1.0
   49    44    62    65   0.20300 -1.0 2.0
   49    44    62    65  -0.70800  1.0 3.0
   49    51    52    53   3.62500 -1.0 2.0
   49    51   -52    54   3.62500 -1.0 2.0
   49    51    68    64   3.62500 -1.0 2.0
   49    51    68    73   3.62500 -1.0 2.0
   50    49    51    52   1.05000 -1.0 2.0
   50    49    51    68   1.05000 -1.0 2.0
   51    52    53    57   3.62500 -1.0 2.0
   51    52    53    58   3.62500 -1.0 2.0
   51    52    54    55   0.00000  1.0 1.0
   51    52    54    56   0.00000  1.0 1.0
   51    52    54    62   0.04150 -1.0 2.0
   51    68    73    74   0.84100 -1.0 2.0
   52    51    68    64   3.62500 -1.0 2.0
   52    51    68    73   3.62500 -1.0 2.0
   52    53   -57    64   3.62500 -1.0 2.0
   52    53    57    77   3.62500 -1.0 2.0
   52    53    58    59   0.00000  1.0 1.0
   52    53    58    60   0.00000  1.0 1.0
   52    53    58    61   0.00000  1.0 1.0
   52    54   -62    44  -0.03700  1.0 1.0
   52    54   -62    44   0.37200 -1.0 2.0
   52    54   -62    44  -0.47300  1.0 3.0
   52    54    62    63   0.43200  1.0 3.0
   52    54    62    65   0.56750  1.0 1.0
   52    54    62    65  -0.07550 -1.0 2.0
   52    54    62    65   0.20000  1.0 3.0
   53    52    54    55   0.00000  1.0 1.0
   53    52    54    56   0.00000  1.0 1.0
   53    52    54    62   0.04150 -1.0 2.0
   53    57    64    67   3.62500 -1.0 2.0
   53    57    64    68   3.62500 -1.0 2.0
   53    57    77    75   3.62500 -1.0 2.0
   53    57    77    78   3.62500 -1.0 2.0
   57    53    58    59   0.00000  1.0 1.0
   57    53    58    60   0.00000  1.0 1.0
   57    53    58    61   0.00000  1.0 1.0
   57    64    67    69   3.62500 -1.0 2.0
   57    64    67    71   3.62500 -1.0 2.0
   57    64   -68    51   3.62500 -1.0 2.0
   57    64    68    73   3.62500 -1.0 2.0
   64    57    77    75   3.62500 -1.0 2.0
   64    57    77    78   3.62500 -1.0 2.0
   64    67    69    70   3.62500 -1.0 2.0
   64    67   -69    75   3.62500 -1.0 2.0
   64    67    71    72   0.84100 -1.0 2.0
   64    68    73    74   0.84100 -1.0 2.0
   67    64    68    51   3.62500 -1.0 2.0
   67    64    68    73   3.62500 -1.0 2.0
   67    69    75    76   3.62500 -1.0 2.0
   67    69    75    77   3.62500 -1.0 2.0
   69    67    71    72   0.84100 -1.0 2.0
   69    75   -77    57   3.62500 -1.0 2.0
   69    75    77    78   3.62500 -1.0 2.0
   70    69    75    76   3.62500 -1.0 2.0
   70    69    75    77   3.62500 -1.0 2.0
   76    75    77    57   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   77    57   -64    67   3.62500 -1.0 2.0
   77    57    64    68   3.62500 -1.0 2.0
   71    67    69    70   3.62500 -1.0 2.0
   71    67    69    75   3.62500 -1.0 2.0
   68    51   -52    53   3.62500 -1.0 2.0
   68    51    52    54   3.62500 -1.0 2.0
   68    64    67    69   3.62500 -1.0 2.0
   68    64    67    71   3.62500 -1.0 2.0
   58    53    57    64   3.62500 -1.0 2.0
   58    53    57    77   3.62500 -1.0 2.0
   54    52    53    57   3.62500 -1.0 2.0
   54    52    53    58   3.62500 -1.0 2.0
   54    62    65    66   0.30150 -1.0 2.0
   54    62    65    39   0.60050  1.0 1.0
   54    62    65    39   0.05600 -1.0 2.0
   54    62    65    39   0.26150  1.0 3.0
   55    54    62    44   0.15000  1.0 3.0
   55    54    62    63   0.15000  1.0 3.0
   55    54    62    65  -0.11250  1.0 3.0
   56    54    62    44   0.15000  1.0 3.0
   56    54    62    63   0.15000  1.0 3.0
   56    54    62    65  -0.11250  1.0 3.0
   62    44    49    50   0.30150 -1.0 2.0
   62    44   -49    51   0.05850 -1.0 2.0
   62    44   -49    51   0.17250  1.0 3.0
   62    65   -39    33   0.60050  1.0 1.0
   62    65   -39    33   0.05600 -1.0 2.0
   62    65   -39    33   0.26150  1.0 3.0
   62    65    39    40   0.55300  1.0 1.0
   62    65    39    40   1.25850 -1.0 2.0
   62    65    39    40  -0.23600  1.0 3.0
   62    65    39    41   0.00000  1.0 1.0
   63    62    65    66   0.00000  1.0 1.0
   63    62    65    39   0.00000  1.0 1.0
   66    65    39    33   0.30150 -1.0 2.0
   66    65    39    40   0.30150 -1.0 2.0
   66    65    39    41   0.00000  1.0 1.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    44   0.60050  1.0 1.0
   39    33   -37    44   0.05600 -1.0 2.0
   39    33   -37    44   0.26150  1.0 3.0
   39    33    42    43   0.30150 -1.0 2.0
   39    33    42    46   1.39750  1.0 1.0
   39    33    42    46  -0.07950 -1.0 2.0
   39    33    42    46  -0.18750  1.0 3.0
   42    33    37    38   0.30150 -1.0 2.0
   42    33    37    44   0.65300  1.0 1.0
   42    33    37    44  -0.03850 -1.0 2.0
   42    33    37    44   0.33900  1.0 3.0
   42    33    39    65   0.11950  1.0 1.0
   42    33    39    65   0.20300 -1.0 2.0
   42    33    39    65  -0.70800  1.0 3.0
   42    33    39    40  -0.09450  1.0 1.0
   42    33    39    40  -1.12950 -1.0 2.0
   42    33    39    40   0.54000  1.0 3.0
   42    33    39    41  -0.11250  1.0 3.0
   43    42    46    47   2.45000 -1.0 2.0
   43    42    46    48   2.45000 -1.0 2.0
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
   35    30    34    36  10.50000 -1.0 2.0
   33    44    37    38  10.50000 -1.0 2.0
   44    51    49    50  10.50000 -1.0 2.0
   52    68    51    49   4.00000 -1.0 2.0
   53    54    52    51   4.00000 -1.0 2.0
   57    58    53    52   4.00000 -1.0 2.0
   64    77    57    53   4.00000 -1.0 2.0
   67    68    64    57   4.00000 -1.0 2.0
   69    71    67    64   4.00000 -1.0 2.0
   75    70    69    67   1.10000 -1.0 2.0
   77    76    75    69   1.10000 -1.0 2.0
   75    78    77    57   4.00000 -1.0 2.0
   64    73    68    51   4.00000 -1.0 2.0
   62    39    65    66  10.50000 -1.0 2.0
   33    46    42    43  10.50000 -1.0 2.0
   48    42    46    47   1.00000 -1.0 2.0
END
