* LIGAND DATABASE FILE (OPLS2005)
*
001      78    79    145    225     433
    1     0 S   NP   _N1_     1    28.78340    94.25476   -22.52286
    2     1 S   H    _HN1     2     1.02830    27.27052   163.94665
    3     1 S   H    _H1_     3     1.02780    98.01343   -82.25300
    4     1 S   H    _H2_     4     1.02951    86.98543    25.85163
    5     1 S   CT   _CA1     5     1.50104   136.72001   142.82949
    6     5 S   HC   _HA1     6     1.09569   105.24399    69.42840
    7     5 S   CO3  _C1_     7     1.53787   112.36780   -50.88661
    8     7 S   O2Z  _O11     8     1.26374   115.01974   -44.19250
    9     7 S   O2Z  _O12     9     1.26229   114.96546   135.05774
   10     5 S   CT   _CB1    10     1.53091   107.43264  -172.55365
   11    10 S   HC   HB11    11     1.09825   109.44632   -49.56746
   12    10 S   HC   HB12    12     1.09819   110.41596    67.05963
   13    10 S   CT   _CG1    13     1.52975   112.59222  -170.58107
   14    13 S   HC   HG11    14     1.09559   110.50754   -62.84755
   15    13 S   HC   HG12    15     1.09657   109.93644    56.31971
   16    13 S   C    _CD1    16     1.51810   112.28801   176.67145
   17    16 S   O    _OE1    17     1.22721   123.31056    -0.69886
   18    16 S   N    _N2_    18     1.38607   111.60985   179.32914
   19    18 S   H    _HN2    19     1.01605   118.94653     1.43327
   20    18 S   CT1  _CA2    20     1.46269   123.46041   179.14591
   21    20 S   HC   _HA2    21     1.09736   109.41746    -6.64995
   22    20 S   C    _C2_    22     1.53432   108.44616  -122.13112
   23    22 S   O    _O2_    23     1.23029   122.36029  -148.39697
   24    20 S   CT   _CB2    32     1.53468   111.26691   115.48027
   25    24 S   HC   HB21    33     1.09262   109.23954    55.36098
   26    24 S   HC   HB22    34     1.09485   110.25794   173.89777
   27    22 S   N    _N3_    24     1.38361   113.51954    39.15763
   28    27 S   H    _HN3    25     1.01631   119.50743    -3.67083
   29    24 S   S    _SG2    35     1.83097   110.92077   -67.14359
   30    27 S   CT   _CA3    26     1.45286   123.13840   176.96172
   31    30 S   HC   HA31    27     1.09552   107.53453   -63.72472
   32    30 S   HC   HA32    28     1.09558   107.94022    52.68539
   33    29 S   CT   _C15    36     1.87408   102.66764   158.52487
   34    30 S   CO3  _C3_    29     1.52937   114.12883   174.66807
   35    34 S   O2Z  _O31    30     1.26368   116.05873    -0.55107
   36    34 S   O2Z  _O32    31     1.26429   114.41322   179.50504
   37    33 S   CO4  _C7_    37     1.52048   105.83038    54.56716
   38    37 S   O    _O19    38     1.22177   126.54764   -90.55982
   39    33 S   CT   _C9_    56     1.55985   113.43881   -65.39667
   40    39 S   HC   _H25    57     1.09793   106.97264   160.95917
   41    39 S   HC   _H26    58     1.09745   110.07637    50.96470
   42    37 S   OS   _O20    39     1.36130   109.56712    87.02172
   43    42 S   CO4  _C6_    40     1.35844   110.59632     8.88330
   44    43 S   O    _O18    41     1.22096   124.58690  -170.00595
   45    33 S   CT   _C13    42     1.55999   107.97497   160.86634
   46    45 S   HC   _H31    43     1.09790   110.69955    32.12961
   47    45 S   CT   _C14    44     1.56787   116.41945   157.80346
   48    47 S   HC   _H32    45     1.09103   106.34642    24.14543
   49    47 S   CT   _C12    46     1.55621   108.54633   -94.80267
   50    49 S   HC   _H30    47     1.08999   110.99667    17.57444
   51    47 S   CT   _C18    69     1.55422   114.46103   138.59906
   52    51 S   HC   _H39    70     1.09694   108.93763   -56.15756
   53    51 S   HC   _H40    71     1.09672   110.51232    60.88324
   54    49 S   CO4  _C5_    48     1.53126   114.10276   137.34845
   55    54 S   O    _O17    49     1.23392   120.92396   131.67175
   56    49 S   OH   _O22    67     1.42222   110.69544   -97.80545
   57    56 S   HO   _H44    68     0.97314   107.51481   179.54458
   58    51 S   CT   _C19    72     1.53395   113.70330  -175.05823
   59    58 S   HC   _H41    73     1.09383   110.95618   -64.87834
   60    58 S   HC   _H42    74     1.09610   109.79641    53.63913
   61    54 S   CT   _C10    50     1.51850   119.10184   -50.13312
   62    61 S   HC   _H27    51     1.09345   110.30545    63.46690
   63    61 S   HC   _H28    52     1.09946   106.91355   175.04971
   64    58 S   CT   _C17    75     1.52176   111.28291   174.46179
   65    64 S   HC   _H36    76     1.09467   111.05394   -60.45064
   66    64 S   HC   _H37    77     1.09452   110.23870   179.84677
   67    64 S   HC   _H38    78     1.09468   110.95925    60.11450
   68    61 S   CT   _C11    53     1.53157   115.27897   -64.94281
   69    68 S   HC   _H29    54     1.09339   107.81906   -66.64953
   70    68 S   CM   _C4_    55     1.52464   116.86631    58.97359
   71    68 S   OH   _O21    65     1.43326   107.93123   179.64227
   72    71 S   HO   _H43    66     0.97254   107.57411    61.38160
   73    70 S   CM   _C8_    59     1.34999   121.82333  -123.44522
   74    73 S   HC   _H24    60     1.08315   119.42767  -173.88676
   75    73 S   CT   _C16    61     1.49639   128.08654     5.69003
   76    75 S   HC   _H33    62     1.09341   110.19085   -96.21486
   77    75 S   HC   _H34    63     1.09533   109.21342   145.22838
   78    75 S   HC   _H35    64     1.09228   113.26635    26.72332
  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  12   5   4   3
  17   2   1   1  11   4  15   5   4   5   7   3  12   4  15   8
  13   6  11   5   4  10   5   2   1   6   5   4   8   5   4   3
   2   1   1   7   4   8   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    45    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    43    45    46    47    70    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    45    46    47    48    49    68    70    39    40    41    73    51  
   35    36  
   36  
    0  
   38    42    43    44    45    46    47    70    39    40    41  
   42    43    45    39  
   40    41    73    74    75    71    42    43    45    46    47    61    68    69    70  
   41    73    45    68    70  
   73    45    68    70  
   43    44    45    46    47  
   44    45    46    47    48    49    51  
   45    46    47  
   46    47    48    49    50    54    70    56    51    52    53    58  
   47    48    49    51  
   48    49    50    54    55    61    56    57    51    52    53    58    59    60    64  
   49    50    54    56    51    52    53    58  
   50    54    55    61    62    63    68    56    57    51    52    53    58  
   54    55    61    56    57    51  
   52    53    58    59    60    64    65    66    67    54    56  
   53    58    59    60    64  
   58    59    60    64  
   55    61    62    63    68    69    70    71    56    57  
   61    62    63    68    56  
   57    61  
    0  
   59    60    64    65    66    67  
   60    64    65    66    67  
   64    65    66    67  
   62    63    68    69    70    73    71    72  
   63    68    69    70    71  
   68    69    70    71  
   65    66    67  
   66    67  
   67  
    0  
   69    70    73    74    75    71    72  
   70    73    71    72  
   73    74    75    76    77    78    71    72  
   72    73  
    0  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78  
   77    78  
   78  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.0000   0.1700  -0.160000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   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    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    45   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    42   214.000  1.327
   42    43   214.000  1.327
   43    44   570.000  1.229
   43    45   317.000  1.522
   45    46   340.000  1.090
   45    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    51   268.000  1.529
   49    50   340.000  1.090
   49    54   317.000  1.522
   49    56   320.000  1.410
   54    55   570.000  1.229
   54    61   317.000  1.522
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    68   268.000  1.529
   68    69   340.000  1.090
   68    70   317.000  1.510
   68    71   320.000  1.410
   70    39   317.000  1.510
   70    73   549.000  1.340
   39    40   340.000  1.090
   39    41   340.000  1.090
   73    74   340.000  1.080
   73    75   317.000  1.510
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   71    72   553.000  0.945
   56    57   553.000  0.945
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   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    45    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    42    81.00000  111.40000
   33    45    43    63.00000  111.10000
   33    45    46    37.50000  110.70000
   33    45    47    58.35000  112.70000
   33    39    70    70.00000  112.02700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43   105.00000  110.06700
   42    37    38    83.00000  123.40000
   42    43    44    83.00000  123.40000
   42    43    45    81.00000  111.40000
   43    45    46    35.00000  109.50000
   43    45    47    63.00000  111.10000
   45    33    37    63.00000  111.10000
   45    43    44    80.00000  120.40000
   45    47    48    37.50000  110.70000
   45    47    49    58.35000  112.70000
   45    47    51    58.35000  112.70000
   47    45    46    37.50000  110.70000
   47    49    50    37.50000  110.70000
   47    49    54    63.00000  111.10000
   47    49    56    50.00000  109.50000
   47    51    52    37.50000  110.70000
   47    51    53    37.50000  110.70000
   47    51    58    58.35000  112.70000
   49    47    48    37.50000  110.70000
   49    54    55    80.00000  120.40000
   49    54    61    70.00000  116.00000
   49    56    57    55.00000  108.50000
   54    49    50    35.00000  109.50000
   54    61    62    35.00000  109.50000
   54    61    63    35.00000  109.50000
   54    61    68    63.00000  111.10000
   61    54    55    80.00000  120.40000
   61    68    69    37.50000  110.70000
   61    68    70    70.00000  112.02700
   61    68    71    50.00000  109.50000
   63    61    62    33.00000  107.80000
   68    61    62    37.50000  110.70000
   68    61    63    37.50000  110.70000
   68    70    39    65.00000  117.92700
   68    70    73    70.00000  124.00000
   68    71    72    55.00000  108.50000
   70    68    69    35.00000  109.50000
   70    39    40    35.00000  109.50000
   70    39    41    35.00000  109.50000
   70    73    74    35.00000  120.00000
   70    73    75    70.00000  124.00000
   39    33    37    63.00000  111.10000
   39    33    45    58.35000  112.70000
   41    39    40    33.00000  107.80000
   73    70    39    70.00000  124.00000
   73    75    76    35.00000  109.50000
   73    75    77    35.00000  109.50000
   73    75    78    35.00000  109.50000
   75    73    74    35.00000  117.00000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   71    68    69    35.00000  109.50000
   71    68    70    90.00000  110.39200
   56    49    50    35.00000  109.50000
   56    49    54    90.00000  109.61100
   51    47    48    37.50000  110.70000
   51    47    49    58.35000  112.70000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    58    64    58.35000  112.70000
   53    51    52    33.00000  107.80000
   58    51    52    37.50000  110.70000
   58    51    53    37.50000  110.70000
   58    64    65    37.50000  110.70000
   58    64    66    37.50000  110.70000
   58    64    67    37.50000  110.70000
   60    58    59    33.00000  107.80000
   64    58    59    37.50000  110.70000
   64    58    60    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    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    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   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    42   0.40000  1.0 3.0
   29    33    45    43   0.56750  1.0 1.0
   29    33    45    43  -0.07550 -1.0 2.0
   29    33    45    43   0.20000  1.0 3.0
   29    33    45    46   0.15000  1.0 3.0
   29    33    45    47   0.44750  1.0 1.0
   29    33    45    47  -0.17800 -1.0 2.0
   29    33    45    47   0.20200  1.0 3.0
   29    33    39    70   0.56750  1.0 1.0
   29    33    39    70  -0.07550 -1.0 2.0
   29    33    39    70   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    37   -42    43   2.00000 -1.0 2.0
   33    45    47    48   0.15000  1.0 3.0
   33    45    47    49   0.56750  1.0 1.0
   33    45    47    49  -0.07550 -1.0 2.0
   33    45    47    49   0.20000  1.0 3.0
   33    45    47    51   0.56750  1.0 1.0
   33    45    47    51  -0.07550 -1.0 2.0
   33    45    47    51   0.20000  1.0 3.0
   37    33   -45    43   0.11950  1.0 1.0
   37    33   -45    43   0.20300 -1.0 2.0
   37    33   -45    43  -0.70800  1.0 3.0
   37    33    45    46  -0.11250  1.0 3.0
   37    33    45    47  -0.95700  1.0 1.0
   37    33    45    47  -0.18200 -1.0 2.0
   37    33    45    47   0.29450  1.0 3.0
   37    33    39    70  -0.98800  1.0 1.0
   37    33    39    70   0.48800 -1.0 2.0
   37    33    39    70   0.76800  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    42    43    44   3.00000 -1.0 2.0
   37    42   -43    45   2.00000 -1.0 2.0
   38    37    42    43   3.00000 -1.0 2.0
   42    43   -45    33   0.36750  1.0 3.0
   42    43    45    46   0.00000  1.0 1.0
   42    43    45    47   0.36750  1.0 3.0
   43    45    47    48  -0.11250  1.0 3.0
   43    45    47    49  -0.95700  1.0 1.0
   43    45    47    49  -0.18200 -1.0 2.0
   43    45    47    49   0.29450  1.0 3.0
   43    45    47    51  -0.95700  1.0 1.0
   43    45    47    51  -0.18200 -1.0 2.0
   43    45    47    51   0.29450  1.0 3.0
   44    43    45    33   0.30150 -1.0 2.0
   44    43    45    46   0.00000  1.0 1.0
   44    43    45    47   0.30150 -1.0 2.0
   45    33    37    38   0.30150 -1.0 2.0
   45    33   -37    42   0.36750  1.0 3.0
   45    33    39    70   0.34400  1.0 1.0
   45    33    39    70   0.09450 -1.0 2.0
   45    33    39    70   0.11100  1.0 3.0
   45    33    39    40   0.15000  1.0 3.0
   45    33    39    41   0.15000  1.0 3.0
   45    47    49    50   0.15000  1.0 3.0
   45    47    49    54  -0.95700  1.0 1.0
   45    47    49    54  -0.18200 -1.0 2.0
   45    47    49    54   0.29450  1.0 3.0
   45    47    49    56   0.86500  1.0 1.0
   45    47    49    56  -0.17500 -1.0 2.0
   45    47    49    56   0.20800  1.0 3.0
   45    47    51    52   0.15000  1.0 3.0
   45    47    51    53   0.15000  1.0 3.0
   45    47    51    58   0.56750  1.0 1.0
   45    47    51    58  -0.07550 -1.0 2.0
   45    47    51    58   0.20000  1.0 3.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    49   0.15000  1.0 3.0
   46    45    47    51   0.15000  1.0 3.0
   47    49    54    55   0.30150 -1.0 2.0
   47    49    54    61   0.60050  1.0 1.0
   47    49    54    61   0.05600 -1.0 2.0
   47    49    54    61   0.26150  1.0 3.0
   47    49    56    57  -0.11600  1.0 1.0
   47    49    56    57  -0.09450 -1.0 2.0
   47    49    56    57   0.21250  1.0 3.0
   47    51    58    59   0.15000  1.0 3.0
   47    51    58    60   0.15000  1.0 3.0
   47    51    58    64   0.56750  1.0 1.0
   47    51    58    64  -0.07550 -1.0 2.0
   47    51    58    64   0.20000  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    54  -0.11250  1.0 3.0
   48    47    49    56   0.23400  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    53   0.15000  1.0 3.0
   48    47    51    58   0.15000  1.0 3.0
   49    47    51    52   0.15000  1.0 3.0
   49    47    51    53   0.15000  1.0 3.0
   49    47    51    58   0.56750  1.0 1.0
   49    47    51    58  -0.07550 -1.0 2.0
   49    47    51    58   0.20000  1.0 3.0
   49    54    61    62   0.00000  1.0 1.0
   49    54    61    63   0.00000  1.0 1.0
   49    54    61    68   0.60050  1.0 1.0
   49    54    61    68   0.05600 -1.0 2.0
   49    54    61    68   0.26150  1.0 3.0
   50    49    54    55   0.00000  1.0 1.0
   50    49    54    61   0.00000  1.0 1.0
   50    49    56    57   0.19450  1.0 3.0
   54    49    56    57   0.91850  1.0 1.0
   54    49    56    57   0.57950  1.0 3.0
   54    61    68    69  -0.11250  1.0 3.0
   54    61    68    70  -0.98800  1.0 1.0
   54    61    68    70   0.48800 -1.0 2.0
   54    61    68    70   0.76800  1.0 3.0
   54    61    68    71  -0.09450  1.0 1.0
   54    61    68    71  -1.12950 -1.0 2.0
   54    61    68    71   0.54000  1.0 3.0
   55    54    61    62   0.00000  1.0 1.0
   55    54    61    63   0.00000  1.0 1.0
   55    54    61    68   0.30150 -1.0 2.0
   61    68    70    39   0.46850  1.0 1.0
   61    68    70    39   0.08550 -1.0 2.0
   61    68    70    39   0.09800  1.0 3.0
   61    68    70    73   0.09850  1.0 1.0
   61    68    70    73   0.15250 -1.0 2.0
   61    68    70    73  -0.50650  1.0 3.0
   61    68    71    72  -0.11600  1.0 1.0
   61    68    71    72  -0.09450 -1.0 2.0
   61    68    71    72   0.21250  1.0 3.0
   62    61    68    69   0.15000  1.0 3.0
   62    61    68    70   0.15000  1.0 3.0
   62    61    68    71   0.23400  1.0 3.0
   63    61    68    69   0.15000  1.0 3.0
   63    61    68    70   0.15000  1.0 3.0
   63    61    68    71   0.23400  1.0 3.0
   68    70    39    33   0.46850  1.0 1.0
   68    70    39    33   0.08550 -1.0 2.0
   68    70    39    33   0.09800  1.0 3.0
   68    70    39    40   0.34800  1.0 3.0
   68    70    39    41   0.34800  1.0 3.0
   68    70    73    74   7.00000 -1.0 2.0
   68    70    73    75   7.00000 -1.0 2.0
   69    68    70    39   0.34800  1.0 3.0
   69    68    70    73   0.00000  1.0 1.0
   69    68    71    72   0.19450  1.0 3.0
   70    68    71    72  -0.07800  1.0 1.0
   70    68    71    72  -0.21500 -1.0 2.0
   70    68    71    72  -0.03150  1.0 3.0
   70    73    75    76   0.00000  1.0 1.0
   70    73    75    77   0.00000  1.0 1.0
   70    73    75    78   0.00000  1.0 1.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    42   0.36750  1.0 3.0
   39    33    45    43  -0.95700  1.0 1.0
   39    33    45    43  -0.18200 -1.0 2.0
   39    33    45    43   0.29450  1.0 3.0
   39    33    45    46   0.15000  1.0 3.0
   39    33    45    47   0.56750  1.0 1.0
   39    33    45    47  -0.07550 -1.0 2.0
   39    33    45    47   0.20000  1.0 3.0
   39    70    73    74   7.00000 -1.0 2.0
   39    70    73    75   7.00000 -1.0 2.0
   73    70    39    33   0.09850  1.0 1.0
   73    70    39    33   0.15250 -1.0 2.0
   73    70    39    33  -0.50650  1.0 3.0
   73    70    39    40   0.00000  1.0 1.0
   73    70    39    41   0.00000  1.0 1.0
   74    73    75    76   0.33100  1.0 3.0
   74    73    75    77   0.33100  1.0 3.0
   74    73    75    78   0.33100  1.0 3.0
   71    68    70    39   0.18000  1.0 1.0
   71    68    70    39   0.16450 -1.0 2.0
   71    68    70    39   0.04450  1.0 3.0
   71    68    70    73   0.67800  1.0 1.0
   71    68    70    73   0.47050 -1.0 2.0
   71    68    70    73  -0.62500  1.0 3.0
   56    49    54    55   0.30150 -1.0 2.0
   56    49    54    61   0.55300  1.0 1.0
   56    49    54    61   1.25850 -1.0 2.0
   56    49    54    61  -0.23600  1.0 3.0
   51    47    49    50   0.15000  1.0 3.0
   51    47    49    54  -0.95700  1.0 1.0
   51    47    49    54  -0.18200 -1.0 2.0
   51    47    49    54   0.29450  1.0 3.0
   51    47    49    56   0.86500  1.0 1.0
   51    47    49    56  -0.17500 -1.0 2.0
   51    47    49    56   0.20800  1.0 3.0
   51    58    64    65   0.15000  1.0 3.0
   51    58    64    66   0.15000  1.0 3.0
   51    58    64    67   0.15000  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    60   0.15000  1.0 3.0
   52    51    58    64   0.15000  1.0 3.0
   53    51    58    59   0.15000  1.0 3.0
   53    51    58    60   0.15000  1.0 3.0
   53    51    58    64   0.15000  1.0 3.0
   59    58    64    65   0.15000  1.0 3.0
   59    58    64    66   0.15000  1.0 3.0
   59    58    64    67   0.15000  1.0 3.0
   60    58    64    65   0.15000  1.0 3.0
   60    58    64    66   0.15000  1.0 3.0
   60    58    64    67   0.15000  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   33    42    37    38  10.50000 -1.0 2.0
   42    45    43    44  10.50000 -1.0 2.0
   49    61    54    55  10.50000 -1.0 2.0
   68    39    70    73   1.10000 -1.0 2.0
   75    74    73    70   1.10000 -1.0 2.0
END
