* LIGAND DATABASE FILE (OPLS2005)
*
001      81    80    143    200     410
    1     0 S   NP   _N1_     1    29.23877    94.52477   -25.03338
    2     1 S   H    _HN1     2     1.02794   113.26774  -118.30472
    3     1 S   H    _H1_     3     1.02947    89.10558    -8.64777
    4     1 S   H    _H2_     4     1.02827    18.08547   165.58445
    5     1 S   CT   _CA1     5     1.50132   120.61748   104.69791
    6     5 S   HC   _HA1     6     1.09574   105.15851    76.09513
    7     5 S   CO3  _C1_     7     1.53768   112.43963   -44.09604
    8     7 S   O2Z  _O11     8     1.26377   115.00302   -42.88321
    9     7 S   O2Z  _O12     9     1.26234   114.94479   136.08868
   10     5 S   CT   _CB1    10     1.53056   107.40191  -165.95591
   11    10 S   HC   HB11    11     1.09841   109.32097   -49.44766
   12    10 S   HC   HB12    12     1.09810   110.48378    67.14618
   13    10 S   CT   _CG1    13     1.53017   112.63686  -170.38423
   14    13 S   HC   HG11    14     1.09571   110.71748   -67.34206
   15    13 S   HC   HG12    15     1.09670   109.70885    51.90547
   16    13 S   C    _CD1    16     1.51816   112.00410   172.36902
   17    16 S   O    _OE1    17     1.22758   123.17442    11.80016
   18    16 S   N    _N2_    18     1.38623   111.81956  -168.15788
   19    18 S   H    _HN2    19     1.01573   119.05765     0.76310
   20    18 S   CT1  _CA2    20     1.46259   123.44733   176.83727
   21    20 S   HC   _HA2    21     1.09741   109.24594     8.30392
   22    20 S   C    _C2_    22     1.53706   108.94402  -107.23266
   23    22 S   O    _O2_    23     1.23088   122.25164  -149.52572
   24    20 S   CT   _CB2    32     1.53440   111.56176   130.28425
   25    24 S   HC   HB21    33     1.09513   109.66304    57.27900
   26    24 S   HC   HB22    34     1.09457   109.72490   176.20847
   27    22 S   N    _N3_    24     1.38328   113.92581    38.01579
   28    27 S   H    _HN3    25     1.01531   119.61802    -3.17848
   29    24 S   S    _SG2    35     1.83222   111.09748   -64.42190
   30    27 S   CT   _CA3    26     1.45273   123.26334   177.21477
   31    30 S   HC   HA31    27     1.09547   107.51272   -64.92481
   32    30 S   HC   HA32    28     1.09557   107.99682    51.52956
   33    29 S   CT   _C17    36     1.86800   102.11332   169.49577
   34    33 S   OM   _O40    37     1.32099   108.42635   -68.10752
   35    30 S   CO3  _C3_    29     1.52971   114.05853   173.55065
   36    35 S   O2Z  _O31    30     1.26382   116.09823     0.15195
   37    35 S   O2Z  _O32    31     1.26427   114.40969  -179.80218
   38    33 S   CT   _C16    38     1.54962   109.85999    51.93386
   39    38 S   HC   _H16    39     1.09816   109.09723    46.66366
   40    38 S   HC   _H17    40     1.09889   111.78829   -70.81389
   41    33 S   CT   _C18    72     1.55509   107.10683   176.06100
   42    41 S   HC   _H18    73     1.09980   111.42434   175.29156
   43    41 S   HC   _H19    74     1.10111   110.66278    60.04573
   44    38 S   CO4  _C15    41     1.53325   116.94348   167.43930
   45    44 S   O    _O38    42     1.23069   123.38908    32.38747
   46    41 S   CO4  _C19    75     1.52207   114.95931   -64.63300
   47    46 S   O    _O39    76     1.22562   123.31500   -65.14043
   48    44 S   CT   _C14    43     1.51349   116.40105  -150.45195
   49    48 S   HC   _H14    44     1.09420   108.23671    51.33542
   50    48 S   HC   _H15    45     1.09550   108.49122   167.80560
   51    46 S   S    _S1_    77     1.76789   114.66501   116.51909
   52    48 S   CO4  _C13    46     1.51175   114.46837   -71.41745
   53    52 S   O    _O37    47     1.23062   122.47649   -12.87408
   54    51 S   CT   _C20    78     1.80572   100.15626  -169.27563
   55    54 S   HC   _H20    79     1.09322   109.28182   178.06164
   56    54 S   HC   _H21    80     1.09343   110.48461    58.71455
   57    54 S   HC   _H22    81     1.09335   110.56373   -62.60251
   58    52 S   CT   _C12    48     1.51123   116.70546   167.62331
   59    58 S   HC   _H12    49     1.09481   108.45119    42.82920
   60    58 S   HC   _H13    50     1.09546   108.23405   159.78538
   61    58 S   CO4  _C11    51     1.51219   114.23166   -79.36954
   62    61 S   O    _O36    52     1.23015   121.89351    -2.37207
   63    61 S   CT   _C10    53     1.51372   116.08014  -179.54630
   64    63 S   HC   _H10    54     1.09494   106.99507    85.33926
   65    63 S   HC   _H11    55     1.09497   109.32505   -32.27978
   66    63 S   CO4  _C9_    56     1.51391   115.31116  -152.80978
   67    66 S   O    _O35    57     1.23010   121.96818    28.68713
   68    66 S   CT   _C8_    58     1.51246   116.03071  -154.12982
   69    68 S   HC   _H8_    59     1.09484   109.26909   -57.42701
   70    68 S   HC   _H9_    60     1.09560   108.27560    60.05502
   71    68 S   CO4  _C7_    61     1.51178   114.51874  -179.30790
   72    71 S   O    _O34    62     1.23105   120.71633  -106.21840
   73    71 S   CT   _C6_    63     1.51411   116.98011    76.39177
   74    73 S   HC   _H6_    64     1.09464   109.55242   -29.14361
   75    73 S   HC   _H7_    65     1.09512   106.90180    88.36227
   76    73 S   CO4  _C5_    66     1.51278   115.48866  -150.08078
   77    76 S   O    _O33    67     1.22996   122.77638    22.10270
   78    76 S   CT   _C4_    68     1.50662   116.26616  -160.58908
   79    78 S   HC   _H3_    69     1.09283   109.62457    60.18395
   80    78 S   HC   _H4_    70     1.09358   109.73010   179.50189
   81    78 S   HC   _H5_    71     1.09275   109.54468   -60.89901
  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
  13   8   2   1   1  12   5   4   7   4   3   7   4   6   2   8
   4   3   4   7   4   3   2   1   1   8   4   3   7   4   8   4
   3   7   4   8   4   3   7   4   8   4   3   5   4   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    41    42    43    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    45    48    41    42    43    46    47    51  
   38    39    40    44    41    42    43    46  
   36    37  
   37  
    0  
   39    40    44    45    48    49    50    52    41    42    43    46  
   40    44    45    48    41  
   44    45    48    41  
   42    43    46    47    51    54    44  
   43    46    47    51  
   46    47    51  
   45    48    49    50    52    53    58  
   48    49    50    52  
   47    51    54    55    56    57  
   51    54  
   49    50    52    53    58    59    60    61  
   50    52    53    58  
   52    53    58  
   54    55    56    57  
   53    58    59    60    61    62    63  
   58    59    60    61  
   55    56    57  
   56    57  
   57  
    0  
   59    60    61    62    63    64    65    66  
   60    61    62    63  
   61    62    63  
   62    63    64    65    66    67    68  
   63    64    65    66  
   64    65    66    67    68    69    70    71  
   65    66    67    68  
   66    67    68  
   67    68    69    70    71    72    73  
   68    69    70    71  
   69    70    71    72    73    74    75    76  
   70    71    72    73  
   71    72    73  
   72    73    74    75    76    77    78  
   73    74    75    76  
   74    75    76    77    78    79    80    81  
   75    76    77    78  
   76    77    78  
   77    78    79    80    81  
   78    79    80    81  
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.6000   0.3550  -0.219900   2.0300   1.8000   0.025682759  -1.666211680
   52   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.012500   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0150   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   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    44   317.000  1.522
   44    45   570.000  1.229
   44    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   317.000  1.522
   52    53   570.000  1.229
   52    58   317.000  1.522
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   317.000  1.522
   61    62   570.000  1.229
   61    63   317.000  1.522
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   317.000  1.522
   66    67   570.000  1.229
   66    68   317.000  1.522
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   317.000  1.522
   71    72   570.000  1.229
   71    73   317.000  1.522
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   317.000  1.522
   76    77   570.000  1.229
   76    78   317.000  1.522
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    46   317.000  1.522
   46    47   570.000  1.229
   46    51   210.000  1.799
   51    54   222.000  1.810
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   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    44    63.00000  111.10000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    46    63.00000  111.10000
   38    33    34    50.00000  109.50000
   38    44    45    80.00000  120.40000
   38    44    48    70.00000  116.00000
   40    38    39    33.00000  107.80000
   44    38    39    35.00000  109.50000
   44    38    40    35.00000  109.50000
   44    48    49    35.00000  109.50000
   44    48    50    35.00000  109.50000
   44    48    52    75.00000  107.99600
   48    44    45    80.00000  120.40000
   48    52    53    80.00000  120.40000
   48    52    58    70.00000  116.00000
   50    48    49    33.00000  107.80000
   52    48    49    35.00000  109.50000
   52    48    50    35.00000  109.50000
   52    58    59    35.00000  109.50000
   52    58    60    35.00000  109.50000
   52    58    61    75.00000  107.99600
   58    52    53    80.00000  120.40000
   58    61    62    80.00000  120.40000
   58    61    63    70.00000  116.00000
   60    58    59    33.00000  107.80000
   61    58    59    35.00000  109.50000
   61    58    60    35.00000  109.50000
   61    63    64    35.00000  109.50000
   61    63    65    35.00000  109.50000
   61    63    66    75.00000  107.99600
   63    61    62    80.00000  120.40000
   63    66    67    80.00000  120.40000
   63    66    68    70.00000  116.00000
   65    63    64    33.00000  107.80000
   66    63    64    35.00000  109.50000
   66    63    65    35.00000  109.50000
   66    68    69    35.00000  109.50000
   66    68    70    35.00000  109.50000
   66    68    71    75.00000  107.99600
   68    66    67    80.00000  120.40000
   68    71    72    80.00000  120.40000
   68    71    73    70.00000  116.00000
   70    68    69    33.00000  107.80000
   71    68    69    35.00000  109.50000
   71    68    70    35.00000  109.50000
   71    73    74    35.00000  109.50000
   71    73    75    35.00000  109.50000
   71    73    76    75.00000  107.99600
   73    71    72    80.00000  120.40000
   73    76    77    80.00000  120.40000
   73    76    78    70.00000  116.00000
   75    73    74    33.00000  107.80000
   76    73    74    35.00000  109.50000
   76    73    75    35.00000  109.50000
   76    78    79    35.00000  109.50000
   76    78    80    35.00000  109.50000
   76    78    81    35.00000  109.50000
   78    76    77    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
   41    33    34    50.00000  109.50000
   41    33    38    58.35000  112.70000
   41    46    47    80.00000  120.40000
   41    46    51    70.00000  114.16300
   43    41    42    33.00000  107.80000
   46    41    42    35.00000  109.50000
   46    41    43    35.00000  109.50000
   46    51    54    90.00000   96.72000
   51    46    47    80.00000  121.30200
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    57    35.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  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   0.01700  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    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   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    44    45   0.30150 -1.0 2.0
   33    38    44    48   0.60050  1.0 1.0
   33    38    44    48   0.05600 -1.0 2.0
   33    38    44    48   0.26150  1.0 3.0
   33    41    46    47   0.30150 -1.0 2.0
   33    41    46    51   0.00000  1.0 1.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    44  -0.09450  1.0 1.0
   34    33    38    44  -1.12950 -1.0 2.0
   34    33    38    44   0.54000  1.0 3.0
   34    33    41    42   0.23400  1.0 3.0
   34    33    41    43   0.23400  1.0 3.0
   34    33    41    46  -0.09450  1.0 1.0
   34    33    41    46  -1.12950 -1.0 2.0
   34    33    41    46   0.54000  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    43   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    44    48    49   0.00000  1.0 1.0
   38    44    48    50   0.00000  1.0 1.0
   38    44    48    52   0.65300  1.0 1.0
   38    44    48    52  -0.03850 -1.0 2.0
   38    44    48    52   0.33900  1.0 3.0
   39    38    44    45   0.00000  1.0 1.0
   39    38    44    48   0.00000  1.0 1.0
   40    38    44    45   0.00000  1.0 1.0
   40    38    44    48   0.00000  1.0 1.0
   44    48    52    53   0.30150 -1.0 2.0
   44    48    52    58   0.65300  1.0 1.0
   44    48    52    58  -0.03850 -1.0 2.0
   44    48    52    58   0.33900  1.0 3.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    50   0.00000  1.0 1.0
   45    44    48    52   0.30150 -1.0 2.0
   48    52    58    59   0.00000  1.0 1.0
   48    52    58    60   0.00000  1.0 1.0
   48    52    58    61   0.65300  1.0 1.0
   48    52    58    61  -0.03850 -1.0 2.0
   48    52    58    61   0.33900  1.0 3.0
   49    48    52    53   0.00000  1.0 1.0
   49    48    52    58   0.00000  1.0 1.0
   50    48    52    53   0.00000  1.0 1.0
   50    48    52    58   0.00000  1.0 1.0
   52    58    61    62   0.30150 -1.0 2.0
   52    58    61    63   0.65300  1.0 1.0
   52    58    61    63  -0.03850 -1.0 2.0
   52    58    61    63   0.33900  1.0 3.0
   53    52    58    59   0.00000  1.0 1.0
   53    52    58    60   0.00000  1.0 1.0
   53    52    58    61   0.30150 -1.0 2.0
   58    61    63    64   0.00000  1.0 1.0
   58    61    63    65   0.00000  1.0 1.0
   58    61    63    66   0.65300  1.0 1.0
   58    61    63    66  -0.03850 -1.0 2.0
   58    61    63    66   0.33900  1.0 3.0
   59    58    61    62   0.00000  1.0 1.0
   59    58    61    63   0.00000  1.0 1.0
   60    58    61    62   0.00000  1.0 1.0
   60    58    61    63   0.00000  1.0 1.0
   61    63    66    67   0.30150 -1.0 2.0
   61    63    66    68   0.65300  1.0 1.0
   61    63    66    68  -0.03850 -1.0 2.0
   61    63    66    68   0.33900  1.0 3.0
   62    61    63    64   0.00000  1.0 1.0
   62    61    63    65   0.00000  1.0 1.0
   62    61    63    66   0.30150 -1.0 2.0
   63    66    68    69   0.00000  1.0 1.0
   63    66    68    70   0.00000  1.0 1.0
   63    66    68    71   0.65300  1.0 1.0
   63    66    68    71  -0.03850 -1.0 2.0
   63    66    68    71   0.33900  1.0 3.0
   64    63    66    67   0.00000  1.0 1.0
   64    63    66    68   0.00000  1.0 1.0
   65    63    66    67   0.00000  1.0 1.0
   65    63    66    68   0.00000  1.0 1.0
   66    68    71    72   0.30150 -1.0 2.0
   66    68    71    73   0.65300  1.0 1.0
   66    68    71    73  -0.03850 -1.0 2.0
   66    68    71    73   0.33900  1.0 3.0
   67    66    68    69   0.00000  1.0 1.0
   67    66    68    70   0.00000  1.0 1.0
   67    66    68    71   0.30150 -1.0 2.0
   68    71    73    74   0.00000  1.0 1.0
   68    71    73    75   0.00000  1.0 1.0
   68    71    73    76   0.65300  1.0 1.0
   68    71    73    76  -0.03850 -1.0 2.0
   68    71    73    76   0.33900  1.0 3.0
   69    68    71    72   0.00000  1.0 1.0
   69    68    71    73   0.00000  1.0 1.0
   70    68    71    72   0.00000  1.0 1.0
   70    68    71    73   0.00000  1.0 1.0
   71    73    76    77   0.30150 -1.0 2.0
   71    73    76    78   0.65300  1.0 1.0
   71    73    76    78  -0.03850 -1.0 2.0
   71    73    76    78   0.33900  1.0 3.0
   72    71    73    74   0.00000  1.0 1.0
   72    71    73    75   0.00000  1.0 1.0
   72    71    73    76   0.30150 -1.0 2.0
   73    76    78    79   0.00000  1.0 1.0
   73    76    78    80   0.00000  1.0 1.0
   73    76    78    81   0.00000  1.0 1.0
   74    73    76    77   0.00000  1.0 1.0
   74    73    76    78   0.00000  1.0 1.0
   75    73    76    77   0.00000  1.0 1.0
   75    73    76    78   0.00000  1.0 1.0
   77    76    78    79   0.00000  1.0 1.0
   77    76    78    80   0.00000  1.0 1.0
   77    76    78    81   0.00000  1.0 1.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    44  -0.95700  1.0 1.0
   41    33    38    44  -0.18200 -1.0 2.0
   41    33    38    44   0.29450  1.0 3.0
   41    46    51    54  -0.11550  1.0 1.0
   41    46    51    54   1.88700 -1.0 2.0
   42    41    46    47   0.00000  1.0 1.0
   42    41    46    51   0.00000  1.0 1.0
   43    41    46    47   0.00000  1.0 1.0
   43    41    46    51   0.00000  1.0 1.0
   46    51    54    55   0.24000  1.0 3.0
   46    51    54    56   0.24000  1.0 3.0
   46    51    54    57   0.24000  1.0 3.0
   47    46    51    54  -0.11550  1.0 1.0
   47    46    51    54   1.88700 -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
   36    30    35    37  10.50000 -1.0 2.0
   38    48    44    45  10.50000 -1.0 2.0
   48    58    52    53  10.50000 -1.0 2.0
   58    63    61    62  10.50000 -1.0 2.0
   63    68    66    67  10.50000 -1.0 2.0
   68    73    71    72  10.50000 -1.0 2.0
   73    78    76    77  10.50000 -1.0 2.0
   41    51    46    47  10.50000 -1.0 2.0
END
