* LIGAND DATABASE FILE (OPLS2005)
*
001      81    81    145    215     425
    1     0 S   NP   _N1_     1    28.04112    94.67114   -23.82521
    2     1 S   H    _HN1     2     1.02778   104.91706  -112.67597
    3     1 S   H    _H1_     3     1.02957    85.54784    -4.87962
    4     1 S   H    _H2_     4     1.02836    24.50499   146.85343
    5     1 S   CT   _CA1     5     1.50144   131.16625   108.47191
    6     5 S   HC   _HA1     6     1.09576   105.19975    75.23114
    7     5 S   CO3  _C1_     7     1.53780   112.27375   -44.92625
    8     7 S   O2Z  _O11     8     1.26368   114.99703   -45.44901
    9     7 S   O2Z  _O12     9     1.26228   114.92550   133.49023
   10     5 S   CT   _CB1    10     1.53082   107.39938  -166.90759
   11    10 S   HC   HB11    11     1.09831   109.31657   -50.38505
   12    10 S   HC   HB12    12     1.09815   110.44966    66.16000
   13    10 S   CT   _CG1    13     1.53030   112.68373  -171.42753
   14    13 S   HC   HG11    14     1.09592   110.52349   -64.79973
   15    13 S   HC   HG12    15     1.09658   109.89802    54.41442
   16    13 S   C    _CD1    16     1.51851   112.22170   174.77408
   17    16 S   O    _OE1    17     1.22773   123.25732     2.17367
   18    16 S   N    _N2_    18     1.38525   111.79289  -177.77983
   19    18 S   H    _HN2    19     1.01572   119.23750     3.15070
   20    18 S   CT1  _CA2    20     1.45839   122.82767   178.40174
   21    20 S   HC   _HA2    21     1.09740   108.75937    27.63762
   22    20 S   C    _C2_    22     1.52966   107.11186   -89.40246
   23    22 S   O    _O2_    23     1.22983   123.11745   -26.79028
   24    20 S   CT   _CB2    32     1.53268   112.27602   150.79135
   25    24 S   HC   HB21    33     1.09531   109.80384    55.45835
   26    24 S   HC   HB22    34     1.09463   109.75111   174.25963
   27    22 S   N    _N3_    24     1.38528   112.55739   155.79350
   28    27 S   H    _HN3    25     1.01657   120.32397    -1.93290
   29    24 S   S    _SG2    35     1.82968   110.77759   -65.99193
   30    27 S   CT   _CA3    26     1.45342   122.44293   178.65856
   31    30 S   HC   HA31    27     1.09570   107.73851   -56.96091
   32    30 S   HC   HA32    28     1.09565   107.66461    59.34889
   33    29 S   CT   _C17    36     1.87502   101.88740   171.49116
   34    33 S   OM   _O37    37     1.32430   107.54449   -69.20106
   35    30 S   CO3  _C3_    29     1.52876   114.37791  -178.86581
   36    35 S   O2Z  _O31    30     1.26327   116.09239    -1.29331
   37    35 S   O2Z  _O32    31     1.26444   114.39679   178.70669
   38    33 S   CM   _C18    38     1.53851   106.10067   176.17940
   39    38 S   HC   _H17    39     1.09847   112.70990   104.87230
   40    33 S   CT   _C16    47     1.55173   111.22821    48.50540
   41    40 S   HC   _H15    48     1.09621   110.23725    43.21320
   42    40 S   HC   _H16    49     1.10054   111.65780   -73.92925
   43    38 S   CMA  _C19    40     1.36589   134.59469   -75.71755
   44    43 S   OM   _O36    41     1.26882   124.44018  -179.48566
   45    40 S   CO4  _C15    50     1.53408   116.75730   164.92736
   46    45 S   O    _O35    51     1.22933   123.21358    21.28268
   47    43 S   S    _S1_    42     1.79653   115.91729     3.11232
   48    45 S   CT   _C14    52     1.52782   114.96651  -158.77665
   49    48 S   HC   _H13    53     1.09610   104.79933    71.16028
   50    48 S   HC   _H14    54     1.09712   107.79865   -43.88948
   51    47 S   CT   _C20    43     1.81015   100.42875  -128.50618
   52    51 S   HC   _H18    44     1.09347   109.03875   170.74424
   53    51 S   HC   _H19    45     1.09347   110.83106    51.52397
   54    51 S   HC   _H20    46     1.09333   110.82300   -70.17749
   55    48 S   CT   _C13    55     1.54866   115.73014  -167.01875
   56    55 S   CM   _C8_    56     1.52258   110.68385  -176.51114
   57    55 S   OH   _O38    80     1.43329   108.44875   -59.96700
   58    57 S   HO   _H21    81     0.97399   107.70205    62.05131
   59    56 S   CMA  _C9_    57     1.35562   126.83535  -131.87621
   60    59 S   OM   _O40    58     1.26430   131.19231   179.44082
   61    56 S   CO4  _C7_    69     1.50166   116.93397    48.63401
   62    61 S   O    _O34    70     1.22949   120.21896   -98.54447
   63    59 S   CT   _C10    59     1.52899   118.59788    -1.93715
   64    63 S   HC   _H9_    60     1.09996   108.16129   103.79101
   65    63 S   HC   _H10    61     1.10038   110.44769  -139.21438
   66    61 S   CT   _C6_    71     1.51204   116.47948    77.36252
   67    66 S   HC   _H7_    72     1.09525   109.65901    31.72070
   68    66 S   HC   _H8_    73     1.09507   107.07817   -86.39969
   69    63 S   CT   _C11    62     1.53166   114.71450   -17.33416
   70    69 S   HC   _H3_    63     1.09610   109.18143   166.92233
   71    66 S   CO4  _C5_    74     1.51278   115.67346   152.99576
   72    71 S   O    _O33    75     1.22977   123.11865   -20.01908
   73    55 S   CT   _C12    64     1.54666   110.20592    59.54778
   74    73 S   HC   _H11    65     1.09785   109.95723    40.82363
   75    73 S   HC   _H12    66     1.09616   110.11494   -77.72784
   76    69 S   OH   _O39    67     1.42545   110.81637   -75.84226
   77    76 S   HO   _H22    68     0.97196   107.72491   -51.26267
   78    71 S   CT   _C4_    76     1.50710   116.07675   162.24957
   79    78 S   HC   _H4_    77     1.09273   109.55201    60.47697
   80    78 S   HC   _H5_    78     1.09290   109.60543   -60.59776
   81    78 S   HC   _H6_    79     1.09356   109.74149  -179.95154
  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   9   5   4   3
  12   7   2   1   1   9   4   9   4   3   6   2   8   4   4  12
   5   4   3   2   1   1  15  17   7   1  11   5   9   4   9   5
   4   8   4   3   6   5   5   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    47    40    41    42    45    46    48  
   38    39    43    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    47    51    40    41    42    45  
   43    44    47    40  
   41    42    45    46    48    49    50    55    43  
   42    45    46    48  
   45    46    48  
   44    47    51    52    53    54  
   47    51  
   46    48    49    50    55    56    73    57  
   48    49    50    55  
   51    52    53    54  
   49    50    55    56    59    69    73    74    75    61    57    58  
   50    55    56    73    57  
   55    56    73    57  
   52    53    54  
   53    54  
   54  
    0  
   56    59    60    63    69    70    73    74    75    76    61    62    66    57    58  
   59    60    63    64    65    69    73    74    75    61    62    66    67    68    71    57    58  
   58    59    61    69    73    74    75  
   73  
   60    63    64    65    69    70    73    76    61    62    66  
   63    64    65    69    61  
   62    66    67    68    71    72    78    63    73  
   66    67    68    71  
   64    65    69    70    73    74    75    76    77  
   65    69    70    73    76  
   69    70    73    76  
   67    68    71    72    78    79    80    81  
   68    71    72    78  
   71    72    78  
   70    73    74    75    76    77  
   73    74    75    76    77  
   72    78    79    80    81  
   78    79    80    81  
   74    75    76    77  
   75    76  
   76  
   77  
    0  
   79    80    81  
   80    81  
   81  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.382600   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.6000   0.3550  -0.575000   2.0300   1.8000   0.025682759  -1.666211680
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   60   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   61   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.4200   0.0150   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   570.000  1.307
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    43   465.000  1.376
   43    44   745.000  1.250
   43    47   240.000  1.763
   47    51   222.000  1.810
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   317.000  1.522
   45    46   570.000  1.229
   45    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    55   268.000  1.529
   55    56   317.000  1.510
   55    73   268.000  1.529
   55    57   320.000  1.410
   56    59   465.000  1.376
   56    61   320.000  1.462
   59    60   745.000  1.250
   59    63   270.000  1.512
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   268.000  1.529
   69    70   340.000  1.090
   69    73   268.000  1.529
   69    76   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   76    77   553.000  0.945
   61    62   570.000  1.229
   61    66   317.000  1.522
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   317.000  1.522
   71    72   570.000  1.229
   71    78   317.000  1.522
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   57    58   553.000  0.945
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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    63.00000  111.10000
   38    33    34    85.00000  110.90400
   38    43    44    65.00000  137.10300
   38    43    47    65.00000  122.11800
   43    38    39    40.00000  120.50800
   43    47    51    85.00000  102.41200
   47    43    44    95.00000  113.88000
   47    51    52    35.00000  109.50000
   47    51    53    35.00000  109.50000
   47    51    54    35.00000  109.50000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   40    33    34    50.00000  109.50000
   40    33    38    70.00000  112.02700
   40    45    46    80.00000  120.40000
   40    45    48    70.00000  116.00000
   42    40    41    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    35.00000  109.50000
   45    48    49    35.00000  109.50000
   45    48    50    35.00000  109.50000
   45    48    55    63.00000  111.10000
   48    45    46    80.00000  120.40000
   48    55    56    70.00000  112.02700
   48    55    73    58.35000  112.70000
   48    55    57    50.00000  109.50000
   50    48    49    33.00000  107.80000
   55    48    49    37.50000  110.70000
   55    48    50    37.50000  110.70000
   55    56    59    70.00000  124.00000
   55    56    61    65.00000  116.34900
   55    73    69    58.35000  112.70000
   55    73    74    37.50000  110.70000
   55    73    75    37.50000  110.70000
   55    57    58    55.00000  108.50000
   56    59    60    65.00000  137.10300
   56    59    63    65.00000  122.18000
   56    61    62    80.00000  123.72100
   56    61    66    65.00000  118.62400
   59    63    64    45.00000  110.52000
   59    63    65    45.00000  110.52000
   59    63    69    70.00000  112.02700
   63    59    60    85.00000  112.85300
   63    69    70    37.50000  110.70000
   63    69    73    58.35000  112.70000
   63    69    76    50.00000  109.50000
   65    63    64    33.00000  107.80000
   69    63    64    37.50000  110.70000
   69    63    65    37.50000  110.70000
   69    73    74    37.50000  110.70000
   69    73    75    37.50000  110.70000
   69    76    77    55.00000  108.50000
   73    55    56    70.00000  112.02700
   73    69    70    37.50000  110.70000
   75    73    74    33.00000  107.80000
   76    69    70    35.00000  109.50000
   76    69    73    50.00000  109.50000
   61    56    59    60.00000  125.92000
   61    66    67    35.00000  109.50000
   61    66    68    35.00000  109.50000
   61    66    71    75.00000  107.99600
   66    61    62    80.00000  120.40000
   66    71    72    80.00000  120.40000
   66    71    78    70.00000  116.00000
   68    66    67    33.00000  107.80000
   71    66    67    35.00000  109.50000
   71    66    68    35.00000  109.50000
   71    78    79    35.00000  109.50000
   71    78    80    35.00000  109.50000
   71    78    81    35.00000  109.50000
   78    71    72    80.00000  120.40000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   57    55    56    90.00000  110.39200
   57    55    73    50.00000  109.50000
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.00000  1.0 1.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    47   7.00000 -1.0 2.0
   33    40    45    46   0.30150 -1.0 2.0
   33    40    45    48   0.60050  1.0 1.0
   33    40    45    48   0.05600 -1.0 2.0
   33    40    45    48   0.26150  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    43   0.39000  1.0 1.0
   34    33    38    43  -0.05800 -1.0 2.0
   34    33    38    43  -0.55150  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    42   0.23400  1.0 3.0
   34    33    40    45  -0.09450  1.0 1.0
   34    33    40    45  -1.12950 -1.0 2.0
   34    33    40    45   0.54000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    45  -0.98800  1.0 1.0
   38    33    40    45   0.48800 -1.0 2.0
   38    33    40    45   0.76800  1.0 3.0
   38    43    47    51   1.00000 -1.0 2.0
   39    38    43    44   7.00000 -1.0 2.0
   39    38    43    47   7.00000 -1.0 2.0
   43    47    51    52   0.24000  1.0 3.0
   43    47    51    53   0.24000  1.0 3.0
   43    47    51    54   0.24000  1.0 3.0
   44    43    47    51   1.00000 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    43   0.09850  1.0 1.0
   40    33    38    43   0.15250 -1.0 2.0
   40    33    38    43  -0.50650  1.0 3.0
   40    45    48    49   0.00000  1.0 1.0
   40    45    48    50   0.00000  1.0 1.0
   40    45    48    55   0.60050  1.0 1.0
   40    45    48    55   0.05600 -1.0 2.0
   40    45    48    55   0.26150  1.0 3.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    48   0.00000  1.0 1.0
   42    40    45    46   0.00000  1.0 1.0
   42    40    45    48   0.00000  1.0 1.0
   45    48    55    56  -0.98800  1.0 1.0
   45    48    55    56   0.48800 -1.0 2.0
   45    48    55    56   0.76800  1.0 3.0
   45    48    55    73  -0.95700  1.0 1.0
   45    48    55    73  -0.18200 -1.0 2.0
   45    48    55    73   0.29450  1.0 3.0
   45    48    55    57  -0.09450  1.0 1.0
   45    48    55    57  -1.12950 -1.0 2.0
   45    48    55    57   0.54000  1.0 3.0
   46    45    48    49   0.00000  1.0 1.0
   46    45    48    50   0.00000  1.0 1.0
   46    45    48    55   0.30150 -1.0 2.0
   48    55    56    59   0.09850  1.0 1.0
   48    55    56    59   0.15250 -1.0 2.0
   48    55    56    59  -0.50650  1.0 3.0
   48    55    56    61   0.09700  1.0 1.0
   48    55    56    61   0.15600 -1.0 2.0
   48    55    56    61  -0.50800  1.0 3.0
   48    55    73    69   0.56750  1.0 1.0
   48    55    73    69  -0.07550 -1.0 2.0
   48    55    73    69   0.20000  1.0 3.0
   48    55    73    74   0.15000  1.0 3.0
   48    55    73    75   0.15000  1.0 3.0
   48    55    57    58  -0.11600  1.0 1.0
   48    55    57    58  -0.09450 -1.0 2.0
   48    55    57    58   0.21250  1.0 3.0
   49    48    55    56   0.15000  1.0 3.0
   49    48    55    73   0.15000  1.0 3.0
   49    48    55    57   0.23400  1.0 3.0
   50    48    55    56   0.15000  1.0 3.0
   50    48    55    73   0.15000  1.0 3.0
   50    48    55    57   0.23400  1.0 3.0
   55    56    59    60   7.00000 -1.0 2.0
   55    56    59    63   7.00000 -1.0 2.0
   55    56    61    62  -0.64400  1.0 1.0
   55    56    61    62   0.26850 -1.0 2.0
   55    56    61    66   0.25700  1.0 1.0
   55    56    61    66   0.66200 -1.0 2.0
   55    56    61    66   0.04450  1.0 3.0
   56    55    73    69   0.34400  1.0 1.0
   56    55    73    69   0.09450 -1.0 2.0
   56    55    73    69   0.11100  1.0 3.0
   56    55    73    74   0.15000  1.0 3.0
   56    55    73    75   0.15000  1.0 3.0
   56    55    57    58  -0.07800  1.0 1.0
   56    55    57    58  -0.21500 -1.0 2.0
   56    55    57    58  -0.03150  1.0 3.0
   56    59    63    64   0.00000  1.0 1.0
   56    59    63    65   0.00000  1.0 1.0
   56    59   -63    69   0.09850  1.0 1.0
   56    59   -63    69   0.15250 -1.0 2.0
   56    59   -63    69  -0.50650  1.0 3.0
   56    61    66    67   0.00000  1.0 1.0
   56    61    66    68   0.00000  1.0 1.0
   56    61    66    71   0.65300  1.0 1.0
   56    61    66    71  -0.03850 -1.0 2.0
   56    61    66    71   0.33900  1.0 3.0
   59    56    61    62   1.00000 -1.0 2.0
   59    56    61    66  -0.33500  1.0 1.0
   59    56    61    66   1.06600 -1.0 2.0
   59    56    61    66  -0.14000  1.0 3.0
   59    63    69    70   0.15000  1.0 3.0
   59    63    69    73   0.34400  1.0 1.0
   59    63    69    73   0.09450 -1.0 2.0
   59    63    69    73   0.11100  1.0 3.0
   59    63    69    76   1.05650  1.0 1.0
   59    63    69    76   0.15600 -1.0 2.0
   59    63    69    76   0.53150  1.0 3.0
   60    59    63    64   0.00000  1.0 1.0
   60    59    63    65   0.00000  1.0 1.0
   60    59    63    69   0.09700  1.0 1.0
   60    59    63    69   0.15600 -1.0 2.0
   60    59    63    69  -0.50800  1.0 3.0
   63    69   -73    55   0.56750  1.0 1.0
   63    69   -73    55  -0.07550 -1.0 2.0
   63    69   -73    55   0.20000  1.0 3.0
   63    69    73    74   0.15000  1.0 3.0
   63    69    73    75   0.15000  1.0 3.0
   63    69    76    77  -0.11600  1.0 1.0
   63    69    76    77  -0.09450 -1.0 2.0
   63    69    76    77   0.21250  1.0 3.0
   64    63    69    70   0.15000  1.0 3.0
   64    63    69    73   0.15000  1.0 3.0
   64    63    69    76   0.23400  1.0 3.0
   65    63    69    70   0.15000  1.0 3.0
   65    63    69    73   0.15000  1.0 3.0
   65    63    69    76   0.23400  1.0 3.0
   70    69    73    55   0.15000  1.0 3.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    75   0.15000  1.0 3.0
   70    69    76    77   0.19450  1.0 3.0
   73    55   -56    59   0.09850  1.0 1.0
   73    55   -56    59   0.15250 -1.0 2.0
   73    55   -56    59  -0.50650  1.0 3.0
   73    55    56    61   0.09700  1.0 1.0
   73    55    56    61   0.15600 -1.0 2.0
   73    55    56    61  -0.50800  1.0 3.0
   73    55    57    58  -0.11600  1.0 1.0
   73    55    57    58  -0.09450 -1.0 2.0
   73    55    57    58   0.21250  1.0 3.0
   73    69    76    77  -0.11600  1.0 1.0
   73    69    76    77  -0.09450 -1.0 2.0
   73    69    76    77   0.21250  1.0 3.0
   76    69    73    55   0.86500  1.0 1.0
   76    69    73    55  -0.17500 -1.0 2.0
   76    69    73    55   0.20800  1.0 3.0
   76    69    73    74   0.23400  1.0 3.0
   76    69    73    75   0.23400  1.0 3.0
   61    56    59    60   7.00000 -1.0 2.0
   61    56    59    63   7.00000 -1.0 2.0
   61    66    71    72   0.30150 -1.0 2.0
   61    66    71    78   0.65300  1.0 1.0
   61    66    71    78  -0.03850 -1.0 2.0
   61    66    71    78   0.33900  1.0 3.0
   62    61    66    67   0.00000  1.0 1.0
   62    61    66    68   0.00000  1.0 1.0
   62    61    66    71   0.30150 -1.0 2.0
   66    71    78    79   0.00000  1.0 1.0
   66    71    78    80   0.00000  1.0 1.0
   66    71    78    81   0.00000  1.0 1.0
   67    66    71    72   0.00000  1.0 1.0
   67    66    71    78   0.00000  1.0 1.0
   68    66    71    72   0.00000  1.0 1.0
   68    66    71    78   0.00000  1.0 1.0
   72    71    78    79   0.00000  1.0 1.0
   72    71    78    80   0.00000  1.0 1.0
   72    71    78    81   0.00000  1.0 1.0
   57    55    56    59   0.67800  1.0 1.0
   57    55    56    59   0.47050 -1.0 2.0
   57    55    56    59  -0.62500  1.0 3.0
   57    55    56    61   0.09700  1.0 1.0
   57    55    56    61   0.15600 -1.0 2.0
   57    55    56    61  -0.50800  1.0 3.0
   57    55    73    69   0.86500  1.0 1.0
   57    55    73    69  -0.17500 -1.0 2.0
   57    55    73    69   0.20800  1.0 3.0
   57    55    73    74   0.23400  1.0 3.0
   57    55    73    75   0.23400  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    43  15.00000 -1.0 2.0
   44    47    43    38  15.00000 -1.0 2.0
   40    48    45    46  10.50000 -1.0 2.0
   55    61    56    59   1.10000 -1.0 2.0
   63    60    59    56   1.10000 -1.0 2.0
   56    66    61    62  10.50000 -1.0 2.0
   66    78    71    72  10.50000 -1.0 2.0
END
