* LIGAND DATABASE FILE (OPLS2005)
*
001      79    81    145    223     421
    1     0 S   NP   _N1_     1    33.08567   101.16003   -16.99724
    2     1 S   H    _HN1     2     1.02735    69.98598   103.56155
    3     1 S   H    _H1_     3     1.03443   177.05816   141.40236
    4     1 S   H    _H2_     4     1.02855    71.57466  -139.34431
    5     1 S   CT   _CA1     5     1.50228    70.56468   -18.57433
    6     5 S   HC   _HA1     6     1.09452   104.90075   114.72074
    7     5 S   CO3  _C1_     7     1.53720   113.43832    -5.77340
    8     7 S   O2Z  _O11     8     1.26434   115.08304   -27.52062
    9     7 S   O2Z  _O12     9     1.26253   115.15994   152.03981
   10     5 S   CT   _CB1    10     1.52927   107.30764  -126.70560
   11    10 S   HC   HB11    11     1.09462   109.22277   -38.80868
   12    10 S   HC   HB12    12     1.09836   110.55771    76.73032
   13    10 S   CT   _CG1    13     1.53238   113.20046  -161.09069
   14    13 S   HC   HG11    14     1.09526   110.96560   -87.89967
   15    13 S   HC   HG12    15     1.09599   111.46633    31.60852
   16    13 S   C    _CD1    16     1.51547   109.48053   151.68184
   17    16 S   O    _OE1    17     1.22765   122.14244    97.27949
   18    16 S   N    _N2_    18     1.38539   112.25627   -79.85591
   19    18 S   H    _HN2    19     1.01670   118.62701    -3.18469
   20    18 S   CT1  _CA2    20     1.45931   123.22579   170.70648
   21    20 S   HC   _HA2    21     1.09704   108.70326    28.05002
   22    20 S   C    _C2_    22     1.53411   108.46755   -87.80359
   23    22 S   O    _O2_    23     1.23134   121.05978   152.78760
   24    20 S   CT   _CB2    32     1.53168   112.02121   151.43953
   25    24 S   HC   HB21    33     1.09133   110.25618    54.76850
   26    24 S   HC   HB22    34     1.09561   110.03600   172.37298
   27    22 S   N    _N3_    24     1.38318   114.72690   -33.70295
   28    27 S   H    _HN3    25     1.01499   119.53349     0.45542
   29    24 S   S    _SG2    35     1.83267   111.47014   -69.01993
   30    27 S   CT   _CA3    26     1.45286   123.18784   177.26283
   31    30 S   HC   HA31    27     1.09571   107.66183   -54.68191
   32    30 S   HC   HA32    28     1.09402   107.82488    61.30650
   33    29 S   CT   _C21    36     1.86859   101.81548   122.80895
   34    30 S   CO3  _C3_    29     1.53039   114.33637  -175.80941
   35    34 S   O2Z  _O31    30     1.26467   116.25043    11.68779
   36    34 S   O2Z  _O32    31     1.26428   114.45631  -168.88826
   37    33 S   CM   _C13    37     1.52221   107.66618   -61.20568
   38    37 S   HC   _H30    38     1.09579   111.94881   -52.30334
   39    33 S   CT   _C17    72     1.53514   108.02907    68.23587
   40    39 S   HC   _H34    73     1.09727   111.42473    55.26712
   41    39 S   HC   _H35    74     1.09630   111.10175   173.53095
   42    39 S   HC   _H36    75     1.09367   112.81884   -65.32475
   43    33 S   CT   _C18    76     1.54074   106.10707  -176.17290
   44    43 S   HC   _H37    77     1.09692   111.85588   -60.96789
   45    43 S   HC   _H38    78     1.09733   112.31067    60.26845
   46    43 S   HC   _H39    79     1.09725   110.63908   179.77445
   47    37 S   CMA  _C14    39     1.35755   132.86205   127.09848
   48    47 S   OM   _O20    40     1.26677   122.29846  -177.96087
   49    47 S   OS   _O24    41     1.40326   112.81657     4.09993
   50    49 S   CT   _C22    42     1.45094   122.91037  -150.73714
   51    50 S   CT   _C16    43     1.55342   110.89439    61.03313
   52    51 S   HC   _H33    44     1.09795   109.94936   -51.80839
   53    50 S   CT   _C19    64     1.54524   102.93328   179.40785
   54    53 S   HC   _H40    65     1.09700   110.42054    60.35683
   55    53 S   HC   _H41    66     1.09569   111.53524   -56.94450
   56    53 S   HC   _H42    67     1.09389   112.46326  -178.96959
   57    50 S   CT   _C20    68     1.53909   111.90753   -65.99510
   58    57 S   HC   _H43    69     1.09584   110.97940   -39.31574
   59    57 S   HC   _H44    70     1.09405   112.01655    80.74501
   60    57 S   HC   _H45    71     1.09557   111.64816  -159.93919
   61    51 S   CT   _C15    45     1.54197   115.25800  -174.42951
   62    61 S   HC   _H31    46     1.09374   111.31073    95.86422
   63    61 S   HC   _H32    47     1.09333   113.22036   -28.24648
   64    61 S   CA   _C7_    48     1.47873    99.48345  -144.45976
   65    64 S   CA   _C8_    49     1.38289   109.62322    14.43323
   66    65 S   CA   _C5_    50     1.38263   122.18180   176.95477
   67    66 S   HA   _H27    51     1.08440   121.15133  -179.81233
   68    51 S   OS   _O23    63     1.45935   109.63698    63.41289
   69    66 S   CA   _C4_    52     1.39868   118.06551     0.92999
   70    69 S   HA   _H26    53     1.08746   119.00501   179.23485
   71    69 S   CA   _C6_    54     1.40639   120.48627    -0.37949
   72    64 S   CA   _C9_    55     1.38039   130.56465  -168.40651
   73    72 S   OS   _O22    56     1.40371   118.86352     2.84854
   74    73 S   CO4  _C12    57     1.39000   121.19692   178.67707
   75    74 S   O    _O21    58     1.22636   122.04212  -179.89347
   76    74 S   CM   _C11    59     1.47482   116.96361     0.63025
   77    76 S   HC   _H29    60     1.08421   117.06062  -179.95577
   78    71 S   CM   _C10    61     1.45353   121.92981   179.33324
   79    78 S   HC   _H28    62     1.08424   119.10913    -0.35773
  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
  13   2   1   1  13   5   8   3   2   1   4   2   1   1   6   2
  13  16  17   8   9   3   2   1   5   2   1   1   9   5   4  10
   8   7   4   2   7   3   7   6   5   5   3   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    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    47    39    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    47    48    49    39    40    41    42    43    44    45    46  
   35    36  
   36  
    0  
   38    47    48    49    50    39    40    41    42    43    44    45    46  
   47    48    49    39    43  
   40    41    42    43    44    45    46    47  
   41    42    43  
   42    43  
   43  
   44    45    46    47  
   45    46  
   46  
    0  
   48    49    50    51    53    57  
   49    50  
   50    51    52    61    68    53    54    55    56    57    58    59    60  
   51    52    61    62    63    64    65    68    53    54    55    56    57    58    59    60  
   52    61    62    63    64    65    66    72    68    53    54    55    56    57    58    59    60  
   61    62    63    64    65    68    53    57  
   54    55    56    57    58    59    60    61    68  
   55    56    57  
   56    57  
   57  
   58    59    60    61    68  
   59    60  
   60  
    0  
   62    63    64    65    66    71    72    73    68  
   63    64    65    72    68  
   64    65    72    68  
   65    66    67    69    71    72    73    74    78    68  
   66    67    69    70    71    72    73    68  
   67    69    70    71    72    78    68  
   69    70    71    68  
   69    72  
   70    71    72    73    76    78    79  
   71    72    78  
   72    73    74    76    77    78    79  
   73    74    75    76    78    79  
   74    75    76    77    78  
   75    76    77    78    79  
   76    77    78  
   77    78    79  
   78    79  
   79  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   48   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   49   2.8500   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   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  1.510
   33    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.080
   37    47   465.000  1.376
   47    48   745.000  1.250
   47    49   440.000  1.360
   49    50   320.000  1.410
   50    51   268.000  1.529
   50    53   268.000  1.529
   50    57   268.000  1.529
   51    52   340.000  1.090
   51    61   268.000  1.529
   51    68   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   317.000  1.510
   64    65   469.000  1.400
   64    72   469.000  1.400
   65    66   469.000  1.400
   65    68   450.000  1.364
   66    67   367.000  1.080
   66    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   469.000  1.400
   71    78   320.000  1.460
   72    73   450.000  1.364
   73    74   214.000  1.327
   74    75   570.000  1.229
   74    76   320.000  1.462
   76    77   340.000  1.080
   76    78   549.000  1.340
   78    79   340.000  1.080
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   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  112.20000
   29    33    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    47    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    46    37.50000  110.70000
   37    47    48    65.00000  137.10300
   37    47    49    80.00000  120.01400
   47    37    38    40.00000  120.50800
   47    49    50    90.00000  111.18400
   49    47    48    65.00000  121.00000
   49    50    51    50.00000  109.50000
   49    50    53    50.00000  109.50000
   49    50    57    50.00000  109.50000
   50    51    52    37.50000  110.70000
   50    51    61    58.35000  112.70000
   50    51    68    50.00000  109.50000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    37.50000  110.70000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    57    60    37.50000  110.70000
   51    61    62    37.50000  110.70000
   51    61    63    37.50000  110.70000
   51    61    64    70.00000  112.17500
   51    68    65    75.00000  111.00000
   61    51    52    37.50000  110.70000
   61    64    65    70.00000  120.00000
   61    64    72    70.00000  120.00000
   63    61    62    33.00000  107.80000
   64    61    62    35.00000  109.50000
   64    61    63    35.00000  109.50000
   64    65    66    63.00000  120.00000
   64    65    68    70.00000  120.00000
   64    72    71    63.00000  120.00000
   64    72    73    70.00000  120.00000
   65    66    67    35.00000  120.00000
   65    66    69    63.00000  120.00000
   66    69    70    35.00000  120.00000
   66    69    71    63.00000  120.00000
   69    66    67    35.00000  120.00000
   69    71    72    63.00000  120.00000
   69    71    78    60.00000  120.93500
   71    69    70    35.00000  120.00000
   71    72    73    70.00000  120.00000
   71    78    76    60.00000  123.20500
   71    78    79    40.00000  117.26300
   72    64    65    63.00000  120.00000
   72    73    74    85.00000  115.98000
   73    74    75    83.00000  123.40000
   73    74    76    90.00000  111.29400
   74    76    77    40.00000  117.72500
   74    76    78    65.00000  118.96000
   76    74    75    80.00000  123.72100
   76    78    79    35.00000  120.00000
   78    71    72    60.00000  120.93500
   78    76    77    35.00000  120.00000
   68    51    52    35.00000  109.50000
   68    51    61    50.00000  109.50000
   68    65    66    70.00000  120.00000
   53    50    51    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   57    50    51    58.35000  112.70000
   57    50    53    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   39    33    37    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    70.00000  112.02700
   43    33    39    58.35000  112.70000
   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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  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
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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   0.00000  1.0 1.0
   29    33    37    47   0.42700  1.0 1.0
   29    33    37    47  -0.70350 -1.0 2.0
   29    33    37    47  -0.43150  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    46   0.15000  1.0 3.0
   33    37    47    48   7.00000 -1.0 2.0
   33    37    47    49   7.00000 -1.0 2.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    46   0.15000  1.0 3.0
   37    47    49    50  -2.26850  1.0 1.0
   37    47    49    50   3.39050 -1.0 2.0
   38    37    47    48   7.00000 -1.0 2.0
   38    37    47    49   7.00000 -1.0 2.0
   47    49    50    51  -0.46850  1.0 1.0
   47    49    50    51   0.09300 -1.0 2.0
   47    49    50    51  -0.12850  1.0 3.0
   47    49    50    53  -0.46850  1.0 1.0
   47    49    50    53   0.09300 -1.0 2.0
   47    49    50    53  -0.12850  1.0 3.0
   47    49    50    57  -0.46850  1.0 1.0
   47    49    50    57   0.09300 -1.0 2.0
   47    49    50    57  -0.12850  1.0 3.0
   48    47    49    50   2.00000 -1.0 2.0
   49    50    51    52   0.23400  1.0 3.0
   49    50    51    61   0.62750  1.0 1.0
   49    50    51    61  -0.30950 -1.0 2.0
   49    50    51    61   0.27300  1.0 3.0
   49    50    51    68   1.11900  1.0 1.0
   49    50    51    68  -1.16350 -1.0 2.0
   49    50    51    68  -0.34150  1.0 3.0
   49    50    53    54   0.23400  1.0 3.0
   49    50    53    55   0.23400  1.0 3.0
   49    50    53    56   0.23400  1.0 3.0
   49    50    57    58   0.23400  1.0 3.0
   49    50    57    59   0.23400  1.0 3.0
   49    50    57    60   0.23400  1.0 3.0
   50    51    61    62   0.15000  1.0 3.0
   50    51    61    63   0.15000  1.0 3.0
   50    51    61    64  -0.03700  1.0 1.0
   50    51    61    64   0.37200 -1.0 2.0
   50    51    61    64  -0.47300  1.0 3.0
   50    51    68    65  -0.32850  1.0 1.0
   50    51    68    65  -0.35800 -1.0 2.0
   50    51    68    65   0.33950  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    56   0.15000  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   51    50    57    60   0.15000  1.0 3.0
   51    61   -64    65   0.04150 -1.0 2.0
   51    61    64    72   0.04150 -1.0 2.0
   52    51    61    62   0.15000  1.0 3.0
   52    51    61    63   0.15000  1.0 3.0
   52    51    61    64   0.43200  1.0 3.0
   52    51    68    65   0.08050  1.0 3.0
   61    51   -68    65  -0.32850  1.0 1.0
   61    51   -68    65  -0.35800 -1.0 2.0
   61    51   -68    65   0.33950  1.0 3.0
   61    64    65    66   3.62500 -1.0 2.0
   61    64   -65    68   3.62500 -1.0 2.0
   61    64    72    71   3.62500 -1.0 2.0
   61    64    72    73   3.62500 -1.0 2.0
   62    61    64    65   0.00000  1.0 1.0
   62    61    64    72   0.00000  1.0 1.0
   63    61    64    65   0.00000  1.0 1.0
   63    61    64    72   0.00000  1.0 1.0
   64    65    66    67   3.62500 -1.0 2.0
   64    65    66    69   3.62500 -1.0 2.0
   64    65   -68    51   1.63200 -1.0 2.0
   64    72    73    74   0.01300  1.0 1.0
   64    72    73    74   0.97950 -1.0 2.0
   64    72    73    74  -0.55700  1.0 3.0
   65    64    72    71   3.62500 -1.0 2.0
   65    64    72    73   3.62500 -1.0 2.0
   65    66    69    70   3.62500 -1.0 2.0
   65    66   -69    71   3.62500 -1.0 2.0
   66    65    68    51   1.63200 -1.0 2.0
   66    69    71    72   3.62500 -1.0 2.0
   66    69    71    78   3.62500 -1.0 2.0
   67    66    69    70   3.62500 -1.0 2.0
   67    66    69    71   3.62500 -1.0 2.0
   69    71   -72    64   3.62500 -1.0 2.0
   69    71    72    73   3.62500 -1.0 2.0
   69    71    78    76   0.15800  1.0 1.0
   69    71    78    76   1.85350 -1.0 2.0
   69    71    78    76  -0.48700  1.0 3.0
   69    71    78    79   0.56550  1.0 3.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    78   3.62500 -1.0 2.0
   71    72    73    74   0.01300  1.0 1.0
   71    72    73    74   0.97950 -1.0 2.0
   71    72    73    74  -0.55700  1.0 3.0
   72    64   -65    66   3.62500 -1.0 2.0
   72    64    65    68   3.62500 -1.0 2.0
   72    71    78    76   0.15800  1.0 1.0
   72    71    78    76   1.85350 -1.0 2.0
   72    71    78    76  -0.48700  1.0 3.0
   72    71    78    79   0.56550  1.0 3.0
   72    73    74    75   3.00000 -1.0 2.0
   72    73   -74    76   2.00000 -1.0 2.0
   73    74    76    77   1.63100 -1.0 2.0
   73    74    76    78  -0.56150  1.0 1.0
   73    74    76    78   2.19150 -1.0 2.0
   74    76   -78    71   7.00000 -1.0 2.0
   74    76    78    79   7.00000 -1.0 2.0
   75    74    76    77   0.00000  1.0 1.0
   75    74    76    78   1.00000 -1.0 2.0
   77    76    78    71   7.00000 -1.0 2.0
   77    76    78    79   7.00000 -1.0 2.0
   78    71    72    64   3.62500 -1.0 2.0
   78    71   -72    73   3.62500 -1.0 2.0
   68    51    61    62   0.23400  1.0 3.0
   68    51    61    63   0.23400  1.0 3.0
   68    51   -61    64  -0.64350  1.0 1.0
   68    51   -61    64  -0.04200 -1.0 2.0
   68    51   -61    64   0.19800  1.0 3.0
   68    65    66    67   3.62500 -1.0 2.0
   68    65    66    69   3.62500 -1.0 2.0
   53    50    51    52   0.15000  1.0 3.0
   53    50    51    61   0.56750  1.0 1.0
   53    50    51    61  -0.07550 -1.0 2.0
   53    50    51    61   0.20000  1.0 3.0
   53    50    51    68   0.62750  1.0 1.0
   53    50    51    68  -0.30950 -1.0 2.0
   53    50    51    68   0.27300  1.0 3.0
   53    50    57    58   0.15000  1.0 3.0
   53    50    57    59   0.15000  1.0 3.0
   53    50    57    60   0.15000  1.0 3.0
   57    50    51    52   0.15000  1.0 3.0
   57    50    51    61   0.56750  1.0 1.0
   57    50    51    61  -0.07550 -1.0 2.0
   57    50    51    61   0.20000  1.0 3.0
   57    50    51    68   0.62750  1.0 1.0
   57    50    51    68  -0.30950 -1.0 2.0
   57    50    51    68   0.27300  1.0 3.0
   57    50    53    54   0.15000  1.0 3.0
   57    50    53    55   0.15000  1.0 3.0
   57    50    53    56   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    47   0.09850  1.0 1.0
   39    33    37    47   0.15250 -1.0 2.0
   39    33    37    47  -0.50650  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    46   0.15000  1.0 3.0
   43    33    37    38   0.00000  1.0 1.0
   43    33    37    47   0.09850  1.0 1.0
   43    33    37    47   0.15250 -1.0 2.0
   43    33    37    47  -0.50650  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   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    38    37    47  15.00000 -1.0 2.0
   48    49    47    37  15.00000 -1.0 2.0
   65    72    64    61   4.00000 -1.0 2.0
   66    68    65    64   4.00000 -1.0 2.0
   69    67    66    65   1.10000 -1.0 2.0
   71    70    69    66   1.10000 -1.0 2.0
   72    78    71    69   4.00000 -1.0 2.0
   71    73    72    64   4.00000 -1.0 2.0
   73    76    74    75  10.50000 -1.0 2.0
   74    77    76    78   1.10000 -1.0 2.0
   71    79    78    76   1.10000 -1.0 2.0
END
