* LIGAND DATABASE FILE (OPLS2005)
*
001      78    79    141    210     406
    1     0 S   NP   _N1_     1    28.72010    94.78419   -22.51971
    2     1 S   H    _HN1     2     1.02778    98.71589   -89.87516
    3     1 S   H    _H1_     3     1.02954    83.87795    17.83359
    4     1 S   H    _H2_     4     1.02828    29.80402   159.13685
    5     1 S   CT   _CA1     5     1.50130   138.27257   131.78266
    6     5 S   HC   _HA1     6     1.09567   105.21836    73.36490
    7     5 S   CO3  _C1_     7     1.53819   112.41833   -46.91519
    8     7 S   O2Z  _O11     8     1.26380   114.97834   -41.23397
    9     7 S   O2Z  _O12     9     1.26231   114.97129   137.92924
   10     5 S   CT   _CB1    10     1.53085   107.41646  -168.55597
   11    10 S   HC   HB11    11     1.09827   109.47419   -48.65662
   12    10 S   HC   HB12    12     1.09820   110.37568    67.97049
   13    10 S   CT   _CG1    13     1.52985   112.63232  -169.64108
   14    13 S   HC   HG11    14     1.09561   110.55691   -62.94518
   15    13 S   HC   HG12    15     1.09658   109.92338    56.26038
   16    13 S   C    _CD1    16     1.51804   112.27982   176.62455
   17    16 S   O    _OE1    17     1.22725   123.29687    -0.13122
   18    16 S   N    _N2_    18     1.38634   111.61526   179.88809
   19    18 S   H    _HN2    19     1.01589   118.97150     1.75792
   20    18 S   CT1  _CA2    20     1.46250   123.40703   179.63363
   21    20 S   HC   _HA2    21     1.09737   109.36845    -5.31633
   22    20 S   C    _C2_    22     1.53419   108.51084  -120.84799
   23    22 S   O    _O2_    23     1.23038   122.33999  -148.19246
   24    20 S   CT   _CB2    32     1.53438   111.45022   116.67895
   25    24 S   HC   HB21    33     1.09443   109.57036    56.21734
   26    24 S   HC   HB22    34     1.09500   110.36512   175.30105
   27    22 S   N    _N3_    24     1.38354   113.53722    39.29689
   28    27 S   H    _HN3    25     1.01630   119.49681    -3.61352
   29    24 S   S    _SG2    35     1.82688   111.19274   -64.88799
   30    27 S   CT   _CA3    26     1.45288   123.15808   176.98448
   31    30 S   HC   HA31    27     1.09552   107.52581   -63.86051
   32    30 S   HC   HA32    28     1.09558   107.95021    52.55233
   33    29 S   CT   _C6_    36     1.83997   100.48778  -179.27991
   34    33 S   HC   _H4_    37     1.09689   107.07581    46.51518
   35    30 S   CO3  _C3_    29     1.52942   114.12347   174.52886
   36    35 S   O2Z  _O31    30     1.26370   116.05661    -0.93920
   37    35 S   O2Z  _O32    31     1.26429   114.41405   179.12576
   38    33 S   CT   _C7_    38     1.53007   110.21888   -70.53263
   39    38 S   HC   _H10    39     1.09419   112.33296   -53.89355
   40    38 S   HC   _H11    40     1.09571   110.54703  -174.39339
   41    38 S   HC   _H12    41     1.09440   111.53187    67.27742
   42    33 S   CT   _C5_    42     1.54933   112.23749   164.13187
   43    42 S   HC   _H3_    43     1.09940   108.40595   175.94517
   44    42 S   CO4  _C8_    44     1.52489   113.57792    57.30949
   45    44 S   O    _O33    45     1.22394   124.65310   -95.50819
   46    42 S   CT   _C4_    75     1.53352   112.51068   -67.88760
   47    46 S   HC   _H7_    76     1.09472   112.35629    65.21462
   48    46 S   HC   _H8_    77     1.09496   110.81108   -55.97920
   49    46 S   HC   _H9_    78     1.09598   110.41076  -175.34794
   50    44 S   OS   _O34    46     1.36454   109.80176    84.81019
   51    50 S   CT   _C9_    47     1.43155   116.45406  -178.65085
   52    51 S   HC   _H5_    48     1.09619   112.20524   -36.71218
   53    51 S   CA   _C10    49     1.48731   110.30470  -158.46083
   54    51 S   CT   _C16    59     1.54690   111.27333    92.80453
   55    54 S   HC   _H6_    60     1.10004   109.62974    23.18155
   56    53 S   CA   _C11    50     1.38646   129.48476    51.69128
   57    56 S   HA   _H13    51     1.08443   119.27621    -2.53211
   58    54 S   CM   _C17    61     1.51459   114.26236   -99.72398
   59    56 S   CA   _C12    52     1.40187   118.36420   176.99502
   60    58 S   CM   _C18    62     1.34300   121.11194   112.75403
   61    60 S   HC   _H16    63     1.08516   121.42793   179.58504
   62    60 S   HC   _H17    64     1.08483   121.58378    -0.30583
   63    58 S   CT   _C19    65     1.50344   118.04310   -68.13349
   64    63 S   HC   _H18    66     1.09452   110.62738   -59.03210
   65    63 S   HC   _H19    67     1.09378   110.88871    61.48859
   66    63 S   HC   _H20    68     1.09554   111.94274  -178.67929
   67    59 S   CA   _C13    53     1.41156   119.99496    -0.69069
   68    67 S   HA   _H14    54     1.08773   120.75619  -179.65908
   69    59 S   CO4  _C20    69     1.49123   121.53346   179.76930
   70    69 S   O    _O36    70     1.22890   120.00748   177.67014
   71    67 S   CA   _C14    55     1.39730   120.82457     0.20936
   72    71 S   HA   _H15    56     1.08436   120.80319  -179.79347
   73    69 S   CT   _C21    71     1.50701   119.07241    -2.26538
   74    73 S   HC   _H21    72     1.09302   110.26109    63.85466
   75    73 S   HC   _H22    73     1.09310   110.37577   -59.17033
   76    73 S   HC   _H23    74     1.09464   109.13659  -177.55784
   77    53 S   CA   _C15    57     1.38519   109.44213  -131.48884
   78    77 S   OS   _O35    58     1.37051   113.73915     2.14649
  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
  14   8   2   1   1   7   3   2   1   9   7  10   3   4   2   1
   1   9  13   7  12  13   5  10   4   9  11   7   2   1   4   2
   1   1   8   4   6   4   3   2   3   2   1   1   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    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    50    46    47    48    49  
   38    39    40    41    42    43    44    46  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46  
   40    41    42  
   41    42  
   42  
   43    44    45    50    51    46    47    48    49  
   44    45    50    46    47    48    49  
   45    50    51    52    53    54    46    47    48    49  
   50    51    46  
   47    48    49    50  
   48    49  
   49  
    0  
   51    52    53    56    77    78    54    55    58  
   52    53    56    57    59    71    77    78    54    55    58    60    63  
   53    56    77    78    54    55    58  
   56    57    59    67    71    72    77    78    54    55    58    69  
   55    58    60    61    62    63    64    65    66    56    71    77    78  
   58    60    63    77    78  
   57    59    67    68    71    77    78    69    70    73  
   59    67    77    69  
   60    61    62    63    64    65    66    77    78  
   67    68    71    72    77    69    70    73    74    75    76  
   61    62    63    64    65    66    78  
   62    63  
   63  
   64    65    66    78  
   65    66  
   66  
    0  
   68    71    72    77    78    69    70    73  
   71    72    77    69  
   70    73    74    75    76    71  
   73    74    75    76  
   72    77    78  
   77    78  
   74    75    76  
   75    76  
   76  
    0  
   78  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   78   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   317.000  1.522
   42    46   268.000  1.529
   44    45   570.000  1.229
   44    50   214.000  1.327
   50    51   320.000  1.410
   51    52   340.000  1.090
   51    53   317.000  1.510
   51    54   268.000  1.529
   53    56   469.000  1.400
   53    77   469.000  1.400
   56    57   367.000  1.080
   56    59   469.000  1.400
   59    67   469.000  1.400
   59    69   310.000  1.470
   67    68   367.000  1.080
   67    71   469.000  1.400
   71    72   367.000  1.080
   71    77   469.000  1.400
   77    78   450.000  1.364
   78    54   320.000  1.410
   54    55   340.000  1.090
   54    58   317.000  1.510
   58    60   549.000  1.340
   58    63   317.000  1.510
   60    61   340.000  1.080
   60    62   340.000  1.080
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   69    70   570.000  1.229
   69    73   317.000  1.522
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    63.00000  111.10000
   33    42    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    44    45    80.00000  120.40000
   42    44    50    81.00000  111.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   44    42    43    35.00000  109.50000
   44    50    51    83.00000  116.90000
   50    44    45    83.00000  123.40000
   50    51    52    35.00000  109.50000
   50    51    53    85.00000  111.85700
   50    51    54    50.00000  109.50000
   51    53    56    70.00000  120.00000
   51    53    77    70.00000  120.00000
   51    54    78    50.00000  109.50000
   51    54    55    37.50000  110.70000
   51    54    58    70.00000  112.02700
   53    51    52    35.00000  109.50000
   53    56    57    35.00000  120.00000
   53    56    59    63.00000  120.00000
   53    77    71    63.00000  120.00000
   53    77    78    70.00000  120.00000
   56    59    67    63.00000  120.00000
   56    59    69    60.00000  119.52600
   59    56    57    35.00000  120.00000
   59    67    68    35.00000  120.00000
   59    67    71    63.00000  120.00000
   59    69    70    75.00000  123.78400
   59    69    73    65.00000  115.47100
   67    71    72    35.00000  120.00000
   67    71    77    63.00000  120.00000
   71    67    68    35.00000  120.00000
   71    77    78    70.00000  120.00000
   77    53    56    63.00000  120.00000
   77    71    72    35.00000  120.00000
   77    78    54    75.00000  111.00000
   78    54    55    35.00000  109.50000
   78    54    58    85.00000  110.90400
   54    51    52    37.50000  110.70000
   54    51    53    70.00000  112.17500
   54    58    60    70.00000  124.00000
   54    58    63    65.00000  117.92700
   58    54    55    35.00000  109.50000
   58    60    61    35.00000  120.00000
   58    60    62    35.00000  120.00000
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    66    35.00000  109.50000
   62    60    61    35.00000  117.00000
   63    58    60    70.00000  124.00000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   69    59    67    60.00000  119.52600
   69    73    74    35.00000  109.50000
   69    73    75    35.00000  109.50000
   69    73    76    35.00000  109.50000
   73    69    70    80.00000  120.40000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   46    42    43    37.50000  110.70000
   46    42    44    63.00000  111.10000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  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    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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.56750  1.0 1.0
   29    33    42    44  -0.07550 -1.0 2.0
   29    33    42    44   0.20000  1.0 3.0
   29    33    42    46   0.44750  1.0 1.0
   29    33    42    46  -0.17800 -1.0 2.0
   29    33    42    46   0.20200  1.0 3.0
   33    42    44    45   0.30150 -1.0 2.0
   33    42    44    50   0.36750  1.0 3.0
   33    42    46    47   0.15000  1.0 3.0
   33    42    46    48   0.15000  1.0 3.0
   33    42    46    49   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    42    43   0.15000  1.0 3.0
   34    33    42    44  -0.11250  1.0 3.0
   34    33    42    46   0.15000  1.0 3.0
   38    33    42    43   0.15000  1.0 3.0
   38    33    42    44  -0.95700  1.0 1.0
   38    33    42    44  -0.18200 -1.0 2.0
   38    33    42    44   0.29450  1.0 3.0
   38    33    42    46   0.56750  1.0 1.0
   38    33    42    46  -0.07550 -1.0 2.0
   38    33    42    46   0.20000  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    44    50    51   1.63150  1.0 1.0
   42    44    50    51   2.92000 -1.0 2.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    50   0.00000  1.0 1.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    49   0.15000  1.0 3.0
   44    42    46    47  -0.11250  1.0 3.0
   44    42    46    48  -0.11250  1.0 3.0
   44    42    46    49  -0.11250  1.0 3.0
   44    50    51    52   0.08050  1.0 3.0
   44    50    51    53  -0.43900 -1.0 2.0
   44    50    51    53   0.14100  1.0 3.0
   44    50    51    54  -0.25900  1.0 1.0
   44    50    51    54  -0.47000 -1.0 2.0
   44    50    51    54   0.11750  1.0 3.0
   45    44    50    51   3.00000 -1.0 2.0
   50    51    53    56   0.64500  1.0 1.0
   50    51    53    56   0.14800 -1.0 2.0
   50    51    53    56   0.20650  1.0 3.0
   50    51    53    77   0.64500  1.0 1.0
   50    51    53    77   0.14800 -1.0 2.0
   50    51    53    77   0.20650  1.0 3.0
   50    51    54    78   1.11900  1.0 1.0
   50    51    54    78  -1.16350 -1.0 2.0
   50    51    54    78  -0.34150  1.0 3.0
   50    51    54    55   0.23400  1.0 3.0
   50    51    54    58   0.61850  1.0 1.0
   50    51    54    58  -0.22750 -1.0 2.0
   50    51    54    58   0.15300  1.0 3.0
   51    53    56    57   3.62500 -1.0 2.0
   51    53    56    59   3.62500 -1.0 2.0
   51    53    77    71   3.62500 -1.0 2.0
   51    53   -77    78   3.62500 -1.0 2.0
   51    54    58    60   0.09850  1.0 1.0
   51    54    58    60   0.15250 -1.0 2.0
   51    54    58    60  -0.50650  1.0 3.0
   51    54    58    63   0.46850  1.0 1.0
   51    54    58    63   0.08550 -1.0 2.0
   51    54    58    63   0.09800  1.0 3.0
   52    51    53    56   0.00000  1.0 1.0
   52    51    53    77   0.00000  1.0 1.0
   52    51    54    78   0.23400  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    58   0.15000  1.0 3.0
   53    51   -54    78  -0.64350  1.0 1.0
   53    51   -54    78  -0.04200 -1.0 2.0
   53    51   -54    78   0.19800  1.0 3.0
   53    51    54    55   0.43200  1.0 3.0
   53    51    54    58   0.21200  1.0 1.0
   53    51    54    58   0.16900 -1.0 2.0
   53    51    54    58  -1.15100  1.0 3.0
   53    56    59    67   3.62500 -1.0 2.0
   53    56    59    69   3.62500 -1.0 2.0
   53    77   -78    54   1.63200 -1.0 2.0
   56    53    77    71   3.62500 -1.0 2.0
   56    53    77    78   3.62500 -1.0 2.0
   56    59    67    68   3.62500 -1.0 2.0
   56    59   -67    71   3.62500 -1.0 2.0
   56    59    69    70   1.05000 -1.0 2.0
   56    59    69    73   2.26350  1.0 1.0
   56    59    69    73   0.76750 -1.0 2.0
   56    59    69    73   0.22500  1.0 3.0
   57    56    59    67   3.62500 -1.0 2.0
   57    56    59    69   3.62500 -1.0 2.0
   59    67    71    72   3.62500 -1.0 2.0
   59    67    71    77   3.62500 -1.0 2.0
   59    69    73    74   0.00000  1.0 1.0
   59    69    73    75   0.00000  1.0 1.0
   59    69    73    76   0.00000  1.0 1.0
   67    59    69    70   1.05000 -1.0 2.0
   67    59    69    73   2.26350  1.0 1.0
   67    59    69    73   0.76750 -1.0 2.0
   67    59    69    73   0.22500  1.0 3.0
   67    71   -77    53   3.62500 -1.0 2.0
   67    71    77    78   3.62500 -1.0 2.0
   68    67    71    72   3.62500 -1.0 2.0
   68    67    71    77   3.62500 -1.0 2.0
   71    77    78    54   1.63200 -1.0 2.0
   72    71    77    53   3.62500 -1.0 2.0
   72    71    77    78   3.62500 -1.0 2.0
   77    53    56    57   3.62500 -1.0 2.0
   77    53   -56    59   3.62500 -1.0 2.0
   77    78   -54    51  -0.32850  1.0 1.0
   77    78   -54    51  -0.35800 -1.0 2.0
   77    78   -54    51   0.33950  1.0 3.0
   77    78    54    55   0.08050  1.0 3.0
   77    78    54    58  -0.25600  1.0 1.0
   77    78    54    58  -0.40050 -1.0 2.0
   77    78    54    58   0.34700  1.0 3.0
   78    54    58    60   0.39000  1.0 1.0
   78    54    58    60  -0.05800 -1.0 2.0
   78    54    58    60  -0.55150  1.0 3.0
   78    54    58    63   0.09700  1.0 1.0
   78    54    58    63   0.15600 -1.0 2.0
   78    54    58    63  -0.50800  1.0 3.0
   54    51    53    56   0.04150 -1.0 2.0
   54    51   -53    77   0.04150 -1.0 2.0
   54    58    60    61   7.00000 -1.0 2.0
   54    58    60    62   7.00000 -1.0 2.0
   54    58    63    64   0.34800  1.0 3.0
   54    58    63    65   0.34800  1.0 3.0
   54    58    63    66   0.34800  1.0 3.0
   55    54    58    60   0.00000  1.0 1.0
   55    54    58    63   0.34800  1.0 3.0
   60    58    63    64   0.00000  1.0 1.0
   60    58    63    65   0.00000  1.0 1.0
   60    58    63    66   0.00000  1.0 1.0
   63    58    60    61   7.00000 -1.0 2.0
   63    58    60    62   7.00000 -1.0 2.0
   69    59    67    68   3.62500 -1.0 2.0
   69    59    67    71   3.62500 -1.0 2.0
   70    69    73    74   0.00000  1.0 1.0
   70    69    73    75   0.00000  1.0 1.0
   70    69    73    76   0.00000  1.0 1.0
   46    42    44    45   0.30150 -1.0 2.0
   46    42    44    50   0.36750  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
   42    50    44    45  10.50000 -1.0 2.0
   56    77    53    51   4.00000 -1.0 2.0
   59    57    56    53   1.10000 -1.0 2.0
   67    69    59    56   4.00000 -1.0 2.0
   71    68    67    59   1.10000 -1.0 2.0
   77    72    71    67   1.10000 -1.0 2.0
   71    78    77    53   4.00000 -1.0 2.0
   54    63    58    60  15.00000 -1.0 2.0
   61    62    60    58  15.00000 -1.0 2.0
   59    73    69    70  10.50000 -1.0 2.0
END
