* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    151    241     435
    1     0 S   NP   _N1_     1    28.89032    95.22620   -19.77097
    2     1 S   H    _HN1     2     1.02839    37.57976   149.33700
    3     1 S   H    _H1_     3     1.02777    78.72071   -70.06912
    4     1 S   H    _H2_     4     1.02962    94.95046    37.65499
    5     1 S   CT   _CA1     5     1.50082   146.00931   176.68572
    6     5 S   HC   _HA1     6     1.09564   105.32559    41.75381
    7     5 S   CO3  _C1_     7     1.53865   112.34558   -78.70407
    8     7 S   O2Z  _O11     8     1.26349   114.97824   -44.62102
    9     7 S   O2Z  _O12     9     1.26234   114.95340   134.74604
   10     5 S   CT   _CB1    10     1.53109   107.47546   159.86487
   11    10 S   HC   HB11    11     1.09814   109.62478   -49.68095
   12    10 S   HC   HB12    12     1.09831   110.30496    66.96519
   13    10 S   CT   _CG1    13     1.52973   112.52544  -170.76796
   14    13 S   HC   HG11    14     1.09562   110.32649   -57.88778
   15    13 S   HC   HG12    15     1.09620   110.17634    61.22760
   16    13 S   C    _CD1    16     1.51765   112.19687  -178.37370
   17    16 S   O    _OE1    17     1.22706   123.24408   -12.34046
   18    16 S   N    _N2_    18     1.38542   111.56806   167.93718
   19    18 S   H    _HN2    19     1.01601   118.97498     2.03221
   20    18 S   CT1  _CA2    20     1.46211   123.60097  -176.54011
   21    20 S   HC   _HA2    21     1.09727   109.38760   -17.59376
   22    20 S   C    _C2_    22     1.53410   108.26333  -133.35832
   23    22 S   O    _O2_    23     1.23000   122.29797  -146.30264
   24    20 S   CT   _CB2    32     1.53519   110.97665   104.65032
   25    24 S   HC   HB21    33     1.09475   109.32154    52.06908
   26    24 S   HC   HB22    34     1.09476   110.58163   170.69008
   27    22 S   N    _N3_    24     1.38522   113.30281    41.16375
   28    27 S   H    _HN3    25     1.01534   118.91557    -0.56510
   29    24 S   S    _SG2    35     1.83209   111.55504   -70.30696
   30    27 S   CT   _CA3    26     1.45456   123.46699   175.05700
   31    30 S   HC   HA31    27     1.09521   109.26047    23.71976
   32    30 S   HC   HA32    28     1.09495   107.10614   140.73986
   33    29 S   CT   _C7_    36     1.84196   101.51128   150.62659
   34    30 S   CO3  _C3_    29     1.52931   113.14245   -99.77011
   35    34 S   O2Z  _O31    30     1.26402   115.43092   -43.30698
   36    34 S   O2Z  _O32    31     1.26359   114.96593   137.64329
   37    33 S   CO4  _C6_    37     1.54690   106.66243    57.74000
   38    37 S   O    _O33    38     1.23626   121.64457   -92.82172
   39    33 S   NTH0 _N5_    56     1.48593   117.59522   -62.49544
   40    37 S   CT   _C5_    39     1.52017   119.44696    82.93959
   41    40 S   HC   _H4_    40     1.09897   105.43542   142.61019
   42    40 S   CD   _C4_    41     1.50154   116.29064    25.36366
   43    40 S   CT   _C18    75     1.52545   110.53523  -100.46876
   44    43 S   HC   _H19    76     1.09487   111.67825    73.88822
   45    43 S   HC   _H20    77     1.09509   111.43654   -46.86001
   46    43 S   HC   _H21    78     1.09563   110.74500  -166.94712
   47    42 S   CO4  _C9_    42     1.50092   118.68075   -21.64256
   48    47 S   O    _O34    43     1.22252   118.86009  -149.25458
   49    42 S   NI   _N4_    73     1.29229   123.11864   158.27202
   50    49 S   H    _H3_    74     1.02560   110.65688     0.12511
   51    33 S   CT   _C8_    44     1.53119   111.07477   179.85463
   52    51 S   HC   _H5_    45     1.09853   110.84050    50.40148
   53    51 S   CT   _C10    46     1.53317   102.80165   167.88190
   54    53 S   HC   _H6_    47     1.10130   108.69572    78.81064
   55    53 S   CO   _C11    48     1.54840   103.94505   -34.97672
   56    53 S   CT   _C16    64     1.53022   114.10471  -164.65480
   57    56 S   HC   _H15    65     1.09396   112.00848    55.93334
   58    56 S   HC   _H16    66     1.09673   109.53479   -63.83577
   59    55 S   C3T  _C14    49     1.50368   115.60271  -102.12640
   60    59 S   HC   _H8_    50     1.07995   115.89649  -103.78662
   61    55 S   OS   _O35    59     1.44221   106.02126   135.96361
   62    56 S   OS   _O36    67     1.43653   108.84027   177.76340
   63    59 S   C3T  _C13    51     1.47860   107.30794   118.38106
   64    63 S   HC   _H7_    52     1.07803   120.74623   131.68901
   65    61 S   CT   _C15    60     1.42213   115.89352  -165.80610
   66    65 S   HC   _H12    61     1.09365   107.86291  -176.80010
   67    65 S   HC   _H13    62     1.09332   111.09396    65.16238
   68    65 S   HC   _H14    63     1.09320   111.54837   -58.26556
   69    62 S   CO4  _C17    68     1.36118   115.80031  -177.58605
   70    69 S   O    _O37    69     1.22507   125.55365    -0.66823
   71    63 S   CT   _C12    53     1.48963   109.28848    -7.88665
   72    71 S   HC   _H9_    54     1.09449   110.39603   129.67444
   73    71 S   HC   _H10    55     1.09419   108.05051  -111.94223
   74    59 S   NTH  _N6_    57     1.46144   125.36605    54.41448
   75    74 S   H    _H11    58     1.01776   112.00921   -12.25065
   76    69 S   N    _N7_    70     1.36854   110.19632   179.38198
   77    76 S   H    _H17    71     1.01326   121.01650   179.98022
   78    76 S   H    _H18    72     1.01327   121.02959    -0.06256
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  11   5   4   3
  21   2   1   1  16   6  18  11   7  11   5   2   1   1   9   4
   2   1  11   4  14   7  18   8   3   2  10   6   7   5   6   5
   3   2   1   1   4   3   4   2   1   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    47    51    52    53    55    71    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    42    47    48    51    52    53    54    55    59    63    71    72    73    39    61    56    43  
   35    36  
   36  
    0  
   38    40    41    42    47    51    52    53    55    71    39    49    43    44    45    46  
   40    41    42    51    39    43  
   74    61    65    56    40    47    51    52    53    54    55    59    60    63    64    71    72    73  
   41    42    47    48    51    49    50    43    44    45    46  
   42    47    49    43    44    45    46  
   47    48    51    52    53    49    50    43    44    45    46  
   44    45    46    47    49  
   45    46  
   46  
    0  
   48    51    52    53    54    55    56    49    50  
   51    52    53    49  
   50    51  
    0  
   52    53    54    55    59    71    61    56    57    58    62  
   53    54    55    56  
   54    55    59    60    63    71    74    61    65    56    57    58    62    69  
   55    59    61    56    57    58    62  
   59    60    63    64    71    72    73    74    75    61    65    66    67    68    56    57    58    62  
   57    58    62    69    70    76    59    61  
   58    62    69  
   62    69  
   60    63    64    71    72    73    74    75    61    65  
   63    64    71    74    75    61  
   65    66    67    68    63    71    74  
   69    70    76    77    78  
   64    71    72    73    74    75  
   71    72    73    74    75  
   66    67    68  
   67    68  
   68  
    0  
   70    76    77    78  
   76    77    78  
   72    73    74    75  
   73    74  
   74  
   75  
    0  
   77    78  
   78  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.377500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.3000   0.1700  -0.542500   1.9050   1.6860   0.051222218  -2.220205820
   40   3.5000   0.0660  -0.023900   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.7500   0.1050   0.353600   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.2800   0.1700  -0.672400   1.8540   1.6400   0.005000000   0.000000000
   50   0.5000   0.0300   0.282700   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.322500   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   63   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   71   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.3000   0.1700  -0.625000   2.1120   1.8750   0.051222218  -2.220205820
   75   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   77   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   78   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    51   268.000  1.529
   33    39   310.000  1.447
   37    38   570.000  1.229
   37    40   317.000  1.522
   40    41   340.000  1.090
   40    42   270.000  1.508
   40    43   268.000  1.529
   42    47   275.000  1.494
   42    49   500.000  1.261
   47    48   570.000  1.229
   47    51   317.000  1.522
   51    52   340.000  1.090
   51    53   268.000  1.529
   53    54   340.000  1.090
   53    55   250.000  1.527
   53    56   268.000  1.529
   55    59   275.000  1.510
   55    39   310.000  1.447
   55    61   320.000  1.380
   59    60   340.000  1.088
   59    63   260.000  1.509
   59    74   315.000  1.448
   63    64   340.000  1.088
   63    71   275.000  1.510
   63    74   315.000  1.448
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    39   310.000  1.447
   74    75   500.000  1.015
   61    65   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    62   320.000  1.410
   62    69   214.000  1.327
   69    70   570.000  1.229
   69    76   435.000  1.380
   76    77   434.000  1.010
   76    78   434.000  1.010
   49    50   434.000  1.010
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    51    75.00000  111.63000
   29    33    39    85.00000  109.00000
   33    37    38    80.00000  120.40000
   33    37    40    70.00000  116.00000
   33    51    47    63.00000  111.10000
   33    51    52    37.50000  110.70000
   33    51    53    58.35000  112.70000
   33    39    55    80.00000  110.40700
   33    39    71    80.00000  110.40700
   37    40    41    35.00000  109.50000
   37    40    42    70.00000  109.29000
   37    40    43    63.00000  111.10000
   40    37    38    80.00000  120.40000
   40    42    47    60.00000  116.68000
   40    42    49    65.00000  122.10100
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    46    37.50000  110.70000
   42    40    41    45.00000  109.49600
   42    47    48    75.00000  122.07900
   42    47    51    60.00000  115.38000
   42    49    50    35.00000  113.00000
   47    51    52    35.00000  109.50000
   47    51    53    63.00000  111.10000
   51    33    37    63.00000  111.10000
   51    47    48    80.00000  120.40000
   51    53    54    37.50000  110.70000
   51    53    55    75.00000  109.43000
   51    53    56    58.35000  112.70000
   53    51    52    37.50000  110.70000
   53    55    59    65.00000  112.71400
   53    55    39    75.00000  113.73300
   53    55    61    90.00000  108.56700
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    62    50.00000  109.50000
   55    53    54    45.00000  108.72000
   55    59    60    40.00000  115.04500
   55    59    63    60.00000  120.94000
   55    59    74    80.00000  104.84000
   55    39    71    80.00000  110.40700
   55    61    65    60.00000  109.50000
   59    63    64    37.50000  117.20000
   59    63    71    60.00000  120.94000
   59    63    74    30.00000   60.00000
   59    74    63    10.00000   60.00000
   59    74    75    50.00000  109.23200
   63    59    60    37.50000  117.20000
   63    71    72    45.00000  109.38400
   63    71    73    45.00000  109.38400
   63    71    39    75.00000  113.73300
   63    74    75    50.00000  109.23200
   71    63    64    40.00000  115.04500
   73    71    72    33.00000  107.80000
   39    33    37    75.00000  112.82000
   39    33    51    75.00000  113.73300
   39    55    59    75.00000  113.73300
   39    71    72    50.00000  110.15500
   39    71    73    50.00000  110.15500
   74    59    60    50.00000  110.59500
   74    59    63    30.00000   60.00000
   74    63    64    50.00000  110.59500
   74    63    71    80.00000  111.29100
   61    55    59    90.00000  108.56700
   61    55    39   100.00000  112.06800
   61    65    66    35.00000  109.50000
   61    65    67    35.00000  109.50000
   61    65    68    35.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   56    53    54    37.50000  110.70000
   56    53    55    75.00000  109.43000
   56    62    69    83.00000  116.90000
   58    56    57    33.00000  107.80000
   62    56    57    35.00000  109.50000
   62    56    58    35.00000  109.50000
   62    69    70    83.00000  123.40000
   62    69    76   110.00000  108.75700
   69    76    77    50.00000  116.34900
   69    76    78    50.00000  116.34900
   76    69    70    85.00000  125.96000
   78    76    77    35.00000  120.00000
   49    42    47    60.00000  126.98800
   43    40    41    37.50000  110.70000
   43    40    42    70.00000  111.76100
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    51    47   0.56750  1.0 1.0
   29    33    51    47  -0.07550 -1.0 2.0
   29    33    51    47   0.20000  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    53   0.44750  1.0 1.0
   29    33    51    53  -0.17800 -1.0 2.0
   29    33    51    53   0.20200  1.0 3.0
   29    33    39    55   0.23200  1.0 1.0
   29    33    39    55   0.02100 -1.0 2.0
   29    33    39    55   0.24950  1.0 3.0
   29    33    39    71   0.23200  1.0 1.0
   29    33    39    71   0.02100 -1.0 2.0
   29    33    39    71   0.24950  1.0 3.0
   33    37    40    41   0.00000  1.0 1.0
   33    37    40    42   0.65300  1.0 1.0
   33    37    40    42  -0.03850 -1.0 2.0
   33    37    40    42   0.33900  1.0 3.0
   33    37    40    43   0.60050  1.0 1.0
   33    37    40    43   0.05600 -1.0 2.0
   33    37    40    43   0.26150  1.0 3.0
   33    51    53    54   0.15000  1.0 3.0
   33    51   -53    55   3.97050  1.0 1.0
   33    51    53    56   0.56750  1.0 1.0
   33    51    53    56  -0.07550 -1.0 2.0
   33    51    53    56   0.20000  1.0 3.0
   37    33    51    47   0.11950  1.0 1.0
   37    33    51    47   0.20300 -1.0 2.0
   37    33    51    47  -0.70800  1.0 3.0
   37    33    51    52  -0.11250  1.0 3.0
   37    33    51    53  -0.95700  1.0 1.0
   37    33    51    53  -0.18200 -1.0 2.0
   37    33    51    53   0.29450  1.0 3.0
   37    33    39    55  -1.76800  1.0 1.0
   37    33    39    55   1.02600 -1.0 2.0
   37    33    39    55   0.19700  1.0 3.0
   37    33    39    71  -1.76800  1.0 1.0
   37    33    39    71   1.02600 -1.0 2.0
   37    33    39    71   0.19700  1.0 3.0
   37    40   -42    47   0.00000  1.0 1.0
   37    40    42    49   0.00000  1.0 1.0
   37    40    43    44  -0.11250  1.0 3.0
   37    40    43    45  -0.11250  1.0 3.0
   37    40    43    46  -0.11250  1.0 3.0
   38    37    40    41   0.00000  1.0 1.0
   38    37    40    42   0.30150 -1.0 2.0
   38    37    40    43   0.30150 -1.0 2.0
   40    42    47    48   1.00000 -1.0 2.0
   40    42    47    51   0.25700  1.0 1.0
   40    42    47    51   0.66200 -1.0 2.0
   40    42    47    51   0.04450  1.0 3.0
   40    42    49    50   6.00000 -1.0 2.0
   41    40    42    47   0.00000  1.0 1.0
   41    40    42    49   0.00000  1.0 1.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    45   0.15000  1.0 3.0
   41    40    43    46   0.15000  1.0 3.0
   42    40    43    44   0.15000  1.0 3.0
   42    40    43    45   0.15000  1.0 3.0
   42    40    43    46   0.15000  1.0 3.0
   42    47   -51    33   0.65300  1.0 1.0
   42    47   -51    33  -0.03850 -1.0 2.0
   42    47   -51    33   0.33900  1.0 3.0
   42    47    51    52   0.00000  1.0 1.0
   42    47    51    53   0.65300  1.0 1.0
   42    47    51    53  -0.03850 -1.0 2.0
   42    47    51    53   0.33900  1.0 3.0
   47    42    49    50   6.00000 -1.0 2.0
   47    51    53    54  -0.11250  1.0 3.0
   47    51    53    55  -0.95700  1.0 1.0
   47    51    53    55  -0.18200 -1.0 2.0
   47    51    53    55   0.29450  1.0 3.0
   47    51    53    56  -0.95700  1.0 1.0
   47    51    53    56  -0.18200 -1.0 2.0
   47    51    53    56   0.29450  1.0 3.0
   48    47    51    33   0.30150 -1.0 2.0
   48    47    51    52   0.00000  1.0 1.0
   48    47    51    53   0.30150 -1.0 2.0
   51    33    37    38   0.30150 -1.0 2.0
   51    33   -37    40   0.60050  1.0 1.0
   51    33   -37    40   0.05600 -1.0 2.0
   51    33   -37    40   0.26150  1.0 3.0
   51    33   -39    55   1.99000  1.0 1.0
   51    33   -39    55   0.18800 -1.0 2.0
   51    33   -39    55   0.81350  1.0 3.0
   51    33    39    71   1.99000  1.0 1.0
   51    33    39    71   0.18800 -1.0 2.0
   51    33    39    71   0.81350  1.0 3.0
   51    53    55    59   0.47050  1.0 1.0
   51    53    55    59   0.03900 -1.0 2.0
   51    53    55    59   0.20100  1.0 3.0
   51    53   -55    39   1.53400  1.0 1.0
   51    53   -55    39  -0.09950 -1.0 2.0
   51    53   -55    39   0.05700  1.0 3.0
   51    53    55    61   0.62750  1.0 1.0
   51    53    55    61  -0.30950 -1.0 2.0
   51    53    55    61   0.27300  1.0 3.0
   51    53    56    57   0.15000  1.0 3.0
   51    53    56    58   0.15000  1.0 3.0
   51    53    56    62   0.62750  1.0 1.0
   51    53    56    62  -0.30950 -1.0 2.0
   51    53    56    62   0.27300  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    56   0.15000  1.0 3.0
   53    55    59    60   0.15000  1.0 3.0
   53    55    59    63   0.07850  1.0 1.0
   53    55    59    63  -0.03950 -1.0 2.0
   53    55    59    63   0.67350  1.0 3.0
   53    55    59    74   1.53400  1.0 1.0
   53    55    59    74  -0.09950 -1.0 2.0
   53    55    59    74   0.05700  1.0 3.0
   53    55   -39    33   1.99000  1.0 1.0
   53    55   -39    33   0.18800 -1.0 2.0
   53    55   -39    33   0.81350  1.0 3.0
   53    55    39    71   1.99000  1.0 1.0
   53    55    39    71   0.18800 -1.0 2.0
   53    55    39    71   0.81350  1.0 3.0
   53    55    61    65   0.06250  1.0 1.0
   53    55    61    65  -0.01100 -1.0 2.0
   53    55    61    65   0.28050  1.0 3.0
   53    56    62    69  -0.25900  1.0 1.0
   53    56    62    69  -0.47000 -1.0 2.0
   53    56    62    69   0.11750  1.0 3.0
   54    53    55    59   0.15000  1.0 3.0
   54    53    55    39   0.15000  1.0 3.0
   54    53    55    61   0.23400  1.0 3.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   54    53    56    62   0.23400  1.0 3.0
   55    53    56    57   0.15000  1.0 3.0
   55    53    56    58   0.15000  1.0 3.0
   55    53    56    62   0.62750  1.0 1.0
   55    53    56    62  -0.30950 -1.0 2.0
   55    53    56    62   0.27300  1.0 3.0
   55    59    63    64   0.15000  1.0 3.0
   55    59   -63    71   3.97050  1.0 1.0
   55    59   -63    74   1.53400  1.0 1.0
   55    59   -63    74  -0.09950 -1.0 2.0
   55    59   -63    74   0.05700  1.0 3.0
   55    59   -74    63  -0.35450  1.0 1.0
   55    59   -74    63   0.44050 -1.0 2.0
   55    59   -74    63   0.77100  1.0 3.0
   55    59    74    75   0.03200  1.0 1.0
   55    59    74    75   0.33800 -1.0 2.0
   55    61    65    66   0.37050  1.0 3.0
   55    61    65    67   0.37050  1.0 3.0
   55    61    65    68   0.37050  1.0 3.0
   59    55    39    33   1.99000  1.0 1.0
   59    55    39    33   0.18800 -1.0 2.0
   59    55    39    33   0.81350  1.0 3.0
   59    55   -39    71   1.99000  1.0 1.0
   59    55   -39    71   0.18800 -1.0 2.0
   59    55   -39    71   0.81350  1.0 3.0
   59    55    61    65   0.06250  1.0 1.0
   59    55    61    65  -0.01100 -1.0 2.0
   59    55    61    65   0.28050  1.0 3.0
   59    63    71    72   0.15000  1.0 3.0
   59    63    71    73   0.15000  1.0 3.0
   59    63   -71    39   1.53400  1.0 1.0
   59    63   -71    39  -0.09950 -1.0 2.0
   59    63   -71    39   0.05700  1.0 3.0
   59    63   -74    75   0.03200  1.0 1.0
   59    63   -74    75   0.33800 -1.0 2.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    71   0.15000  1.0 3.0
   60    59   -63    74   0.15000  1.0 3.0
   60    59   -74    63   0.28000  1.0 3.0
   60    59    74    75   0.20000  1.0 3.0
   63    59   -74    75   0.03200  1.0 1.0
   63    59   -74    75   0.33800 -1.0 2.0
   63    71    39    33   1.99000  1.0 1.0
   63    71    39    33   0.18800 -1.0 2.0
   63    71    39    33   0.81350  1.0 3.0
   63    71   -39    55   1.99000  1.0 1.0
   63    71   -39    55   0.18800 -1.0 2.0
   63    71   -39    55   0.81350  1.0 3.0
   64    63    71    72   0.15000  1.0 3.0
   64    63    71    73   0.15000  1.0 3.0
   64    63    71    39   0.15000  1.0 3.0
   64    63   -74    59   0.28000  1.0 3.0
   64    63    74    75   0.20000  1.0 3.0
   71    63   -74    59  -0.35450  1.0 1.0
   71    63   -74    59   0.44050 -1.0 2.0
   71    63   -74    59   0.77100  1.0 3.0
   71    63    74    75   0.03200  1.0 1.0
   71    63    74    75   0.33800 -1.0 2.0
   72    71    39    33   0.28000  1.0 3.0
   72    71    39    55   0.10550  1.0 3.0
   73    71    39    33   0.28000  1.0 3.0
   73    71    39    55   0.10550  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    40  -0.05600  1.0 1.0
   39    33    37    40   0.24350 -1.0 2.0
   39    33    37    40   1.01150  1.0 3.0
   39    33    51    47  -3.56550  1.0 1.0
   39    33    51    47  -0.67500 -1.0 2.0
   39    33    51    47   1.11300  1.0 3.0
   39    33    51    52   0.15000  1.0 3.0
   39    33   -51    53   1.53400  1.0 1.0
   39    33   -51    53  -0.09950 -1.0 2.0
   39    33   -51    53   0.05700  1.0 3.0
   39    55    59    60   0.15000  1.0 3.0
   39    55   -59    63   1.53400  1.0 1.0
   39    55   -59    63  -0.09950 -1.0 2.0
   39    55   -59    63   0.05700  1.0 3.0
   39    55    59    74   2.32150  1.0 1.0
   39    55    61    65  -1.02450  1.0 1.0
   39    55    61    65  -0.46500 -1.0 2.0
   39    55    61    65   0.47400  1.0 3.0
   74    59   -63    64   0.15000  1.0 3.0
   74    59   -63    71   1.53400  1.0 1.0
   74    59   -63    71  -0.09950 -1.0 2.0
   74    59   -63    71   0.05700  1.0 3.0
   74    63    71    72   0.15000  1.0 3.0
   74    63    71    73   0.15000  1.0 3.0
   74    63   -71    39   2.32150  1.0 1.0
   61    55    59    60   0.23400  1.0 3.0
   61    55    59    63  -0.26800  1.0 1.0
   61    55    59    63   0.69150 -1.0 2.0
   61    55    59    63  -0.48750  1.0 3.0
   61    55    59    74   2.01850  1.0 1.0
   61    55    59    74  -0.32950 -1.0 2.0
   61    55    59    74  -0.50350  1.0 3.0
   61    55    39    33   1.00600  1.0 1.0
   61    55    39    33  -1.41450 -1.0 2.0
   61    55    39    33   0.25150  1.0 3.0
   61    55    39    71   1.00600  1.0 1.0
   61    55    39    71  -1.41450 -1.0 2.0
   61    55    39    71   0.25150  1.0 3.0
   56    53    55    59   0.47050  1.0 1.0
   56    53    55    59   0.03900 -1.0 2.0
   56    53    55    59   0.20100  1.0 3.0
   56    53    55    39   1.53400  1.0 1.0
   56    53    55    39  -0.09950 -1.0 2.0
   56    53    55    39   0.05700  1.0 3.0
   56    53    55    61   0.62750  1.0 1.0
   56    53    55    61  -0.30950 -1.0 2.0
   56    53    55    61   0.27300  1.0 3.0
   56    62    69    70   3.00000 -1.0 2.0
   56    62    69    76  -0.80800  1.0 1.0
   56    62    69    76   2.06850 -1.0 2.0
   57    56    62    69   0.08050  1.0 3.0
   58    56    62    69   0.08050  1.0 3.0
   62    69    76    77   2.56700 -1.0 2.0
   62    69    76    78   2.56700 -1.0 2.0
   70    69    76    77   2.45000 -1.0 2.0
   70    69    76    78   2.45000 -1.0 2.0
   49    42    47    48   1.00000 -1.0 2.0
   49    42    47    51   1.50000 -1.0 2.0
   43    40    42    47   0.00000  1.0 1.0
   43    40    42    49   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    40    37    38  10.50000 -1.0 2.0
   40    47    42    49  10.50000 -1.0 2.0
   42    51    47    48  10.50000 -1.0 2.0
   62    76    69    70  10.50000 -1.0 2.0
   78    69    76    77   1.00000 -1.0 2.0
END
