* LIGAND DATABASE FILE (OPLS2005)
*
001      79    80    136    210     398
    1     0 S   NP   _N1_     1    28.89995    97.52096   -23.57581
    2     1 S   H    _HN1     2     1.02950    63.87507    14.05365
    3     1 S   H    _H1_     3     1.02829    46.03315   172.11096
    4     1 S   H    _H2_     4     1.02785   106.48147   -88.69995
    5     1 S   CT   _CA1     5     1.50106   140.23575   105.07294
    6     5 S   HC   _HA1     6     1.09573   105.20541   104.35558
    7     5 S   CO3  _C1_     7     1.53792   112.45815   -15.89765
    8     7 S   O2Z  _O11     8     1.26371   115.01076   -42.83766
    9     7 S   O2Z  _O12     9     1.26241   114.94551   136.32848
   10     5 S   CT   _CB1    10     1.53081   107.42589  -137.65661
   11    10 S   HC   HB11    11     1.09832   109.38860   -49.78061
   12    10 S   HC   HB12    12     1.09813   110.44145    66.83161
   13    10 S   CT   _CG1    13     1.52985   112.59302  -170.76247
   14    13 S   HC   HG11    14     1.09583   110.61366   -65.19233
   15    13 S   HC   HG12    15     1.09669   109.80402    54.03615
   16    13 S   C    _CD1    16     1.51796   112.25387   174.49669
   17    16 S   O    _OE1    17     1.22728   123.29669     5.99110
   18    16 S   N    _N2_    18     1.38652   111.64844  -174.10981
   19    18 S   H    _HN2    19     1.01580   118.93602     1.84759
   20    18 S   CT1  _CA2    20     1.46193   123.39774   177.72531
   21    20 S   HC   _HA2    21     1.09734   109.37325     2.10199
   22    20 S   C    _C2_    22     1.53546   108.59437  -113.39745
   23    22 S   O    _O2_    23     1.23056   122.29838  -147.81882
   24    20 S   CT   _CB2    32     1.53321   111.57485   124.11674
   25    24 S   HC   HB21    33     1.09590   110.08333    56.21269
   26    24 S   HC   HB22    34     1.09466   109.97058   175.30122
   27    22 S   N    _N3_    24     1.38337   113.68738    39.61797
   28    27 S   H    _HN3    25     1.01588   119.58189    -3.32590
   29    24 S   S    _SG2    35     1.82866   111.52164   -64.72803
   30    27 S   CT   _CA3    26     1.45286   123.20441   177.12744
   31    30 S   HC   HA31    27     1.09550   107.50992   -64.53530
   32    30 S   HC   HA32    28     1.09558   107.98370    51.90163
   33    29 S   CT   _C17    36     1.84012    99.64965   172.98614
   34    33 S   HC   _H3_    37     1.09698   106.20489   -51.43892
   35    30 S   CO3  _C3_    29     1.52960   114.08450   173.89183
   36    35 S   O2Z  _O31    30     1.26377   116.06680    -0.80721
   37    35 S   O2Z  _O32    31     1.26428   114.41300   179.25559
   38    33 S   CA   _C18    38     1.51924   111.87849    68.08612
   39    33 S   CT   _C16    50     1.53774   108.44548  -167.22485
   40    39 S   HC   _H15    51     1.09718   111.20383    53.82729
   41    39 S   HC   _H16    52     1.09640   111.21330   -65.82308
   42    38 S   CA   _C19    39     1.40484   119.50703  -116.68948
   43    42 S   HA   _H17    40     1.08762   120.38450     0.05234
   44    39 S   CO4  _C15    53     1.52123   111.88065   172.57207
   45    44 S   O    _O36    54     1.23074   121.63377   -38.44912
   46    42 S   CA   _C20    41     1.39560   120.79141  -179.98022
   47    46 S   HA   _H18    42     1.08624   119.84361  -179.81233
   48    44 S   CT   _C14    55     1.51223   116.31494   143.86398
   49    48 S   HC   _H13    56     1.09555   109.24846   -53.40950
   50    48 S   HC   _H14    57     1.09546   108.50227    63.73140
   51    46 S   CA   _C21    43     1.39053   119.62580     0.02798
   52    48 S   CO4  _C13    58     1.51059   114.19029  -175.23104
   53    52 S   O    _O35    59     1.22871   121.45664  -101.88849
   54    51 S   CA   _C22    44     1.39157   120.71324     0.22814
   55    54 S   HA   _H19    45     1.08604   120.98988  -180.00000
   56    51 S   OH   _O37    48     1.36597   118.21119  -179.67135
   57    56 S   HO   _H21    49     0.97245   108.60878   179.34121
   58    52 S   CM   _C12    60     1.49234   116.36499    77.41019
   59    58 S   HC   _H12    61     1.08402   116.96178     2.98413
   60    38 S   CA   _C23    46     1.40524   121.97421    63.64419
   61    60 S   HA   _H20    47     1.08735   120.57402    -0.46309
   62    58 S   CM   _C11    62     1.34037   120.23140  -177.00298
   63    62 S   HC   _H11    63     1.08795   120.06129    -1.05832
   64    62 S   CA   _C7_    64     1.47367   124.63211  -179.96044
   65    64 S   CA   _C8_    65     1.40217   118.27360   153.35894
   66    65 S   HA   _H8_    66     1.08816   120.63609    -1.65138
   67    65 S   CA   _C9_    67     1.39447   120.70577   178.63112
   68    67 S   HA   _H9_    68     1.08620   119.36903   179.68102
   69    67 S   CA   _C10    69     1.39342   119.63671    -0.40926
   70    69 S   CA   _C5_    70     1.39899   121.00933    -0.13270
   71    69 S   OH   _O34    78     1.37006   119.85289   179.96044
   72    71 S   HO   _H10    79     0.97205   108.81485    -0.01978
   73    64 S   CA   _C6_    71     1.40658   122.81614   -29.26829
   74    73 S   HA   _H7_    72     1.08599   118.91954     0.42058
   75    70 S   OS   _O33    73     1.37102   115.98495  -179.54976
   76    75 S   CT   _C4_    74     1.42210   117.10162  -174.94429
   77    76 S   HC   _H4_    75     1.09423   107.81110   176.46299
   78    76 S   HC   _H5_    76     1.09472   111.07754    58.69777
   79    76 S   HC   _H6_    77     1.09480   111.05099   -65.80906
  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   9   5   4   3
  14   7   2   1   1  13  10   4   3   8   4   7   4   7   3   7
   4   3   6   6   3   5   3   2   1   6   3   1   1   8   3   9
   8   4   7   3   7   9   3   1   3   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    60    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    54    60    61    39    40    41    44    45    48  
   38    42    60    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    51    54    55    60    61    39    40    41    44  
   40    41    44    45    48    49    50    52    42    60  
   41    44    45    48  
   44    45    48  
   43    46    47    51    54    60    61    56  
   46    47    51    60  
   45    48    49    50    52    53    58  
   48    49    50    52  
   47    51    54    55    60    56    57  
   51    54    56  
   49    50    52    53    58    59    62  
   50    52    53    58  
   52    53    58  
   54    55    60    61    56    57  
   53    58    59    62    63    64  
   58    59    62  
   55    60    61    56    57  
   60    61    56  
   57    60  
    0  
   59    62    63    64    65    73  
   62    63    64  
   61  
    0  
   63    64    65    66    67    70    73    74  
   64    65    73  
   65    66    67    68    69    70    73    74    75  
   66    67    68    69    70    73    74    71  
   67    68    69    73  
   68    69    70    73    75    71    72  
   69    70    71  
   70    73    74    75    76    71    72  
   73    74    75    76    77    78    79    71    72  
   72    73    75  
    0  
   74    75    76  
   75  
   76    77    78    79  
   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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   52   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    60   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    51   469.000  1.400
   51    54   469.000  1.400
   51    56   450.000  1.364
   54    55   367.000  1.080
   54    60   469.000  1.400
   60    61   367.000  1.080
   56    57   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   317.000  1.522
   52    53   570.000  1.229
   52    58   320.000  1.462
   58    59   340.000  1.080
   58    62   549.000  1.340
   62    63   340.000  1.080
   62    64   320.000  1.460
   64    65   469.000  1.400
   64    73   469.000  1.400
   65    66   367.000  1.080
   65    67   469.000  1.400
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   469.000  1.400
   69    71   450.000  1.364
   70    73   469.000  1.400
   70    75   450.000  1.364
   73    74   367.000  1.080
   75    76   320.000  1.410
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   71    72   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    60    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    60    54    63.00000  120.00000
   38    60    61    35.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    51    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    51    54    63.00000  120.00000
   46    51    56    70.00000  120.00000
   51    46    47    35.00000  120.00000
   51    54    55    35.00000  120.00000
   51    54    60    63.00000  120.00000
   51    56    57    35.00000  113.00000
   54    60    61    35.00000  120.00000
   60    38    42    63.00000  120.00000
   60    54    55    35.00000  120.00000
   56    51    54    70.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    48    70.00000  116.00000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    49    35.00000  109.50000
   44    48    50    35.00000  109.50000
   44    48    52    75.00000  107.99600
   48    44    45    80.00000  120.40000
   48    52    53    80.00000  120.40000
   48    52    58    65.00000  118.62400
   50    48    49    33.00000  107.80000
   52    48    49    35.00000  109.50000
   52    48    50    35.00000  109.50000
   52    58    59    40.00000  117.72500
   52    58    62    65.00000  118.96000
   58    52    53    80.00000  123.72100
   58    62    63    35.00000  120.00000
   58    62    64    60.00000  123.20500
   62    58    59    35.00000  120.00000
   62    64    65    60.00000  120.93500
   62    64    73    60.00000  120.93500
   64    62    63    40.00000  117.26300
   64    65    66    35.00000  120.00000
   64    65    67    63.00000  120.00000
   64    73    70    63.00000  120.00000
   64    73    74    35.00000  120.00000
   65    67    68    35.00000  120.00000
   65    67    69    63.00000  120.00000
   67    65    66    35.00000  120.00000
   67    69    70    63.00000  120.00000
   67    69    71    70.00000  120.00000
   69    67    68    35.00000  120.00000
   69    70    73    63.00000  120.00000
   69    70    75    70.00000  120.00000
   69    71    72    35.00000  113.00000
   70    73    74    35.00000  120.00000
   70    75    76    75.00000  111.00000
   73    64    65    63.00000  120.00000
   75    70    73    70.00000  120.00000
   75    76    77    35.00000  109.50000
   75    76    78    35.00000  109.50000
   75    76    79    35.00000  109.50000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   71    69    70    70.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    60  -0.16000  1.0 1.0
   29    33    38    60  -0.03200 -1.0 2.0
   29    33    38    60   0.04500  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    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    60    54   3.62500 -1.0 2.0
   33    38    60    61   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    48   0.60050  1.0 1.0
   33    39    44    48   0.05600 -1.0 2.0
   33    39    44    48   0.26150  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    60   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    47   3.62500 -1.0 2.0
   38    42    46    51   3.62500 -1.0 2.0
   42    38    60    54   3.62500 -1.0 2.0
   42    38    60    61   3.62500 -1.0 2.0
   42    46   -51    54   3.62500 -1.0 2.0
   42    46    51    56   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    51   3.62500 -1.0 2.0
   46    51    54    55   3.62500 -1.0 2.0
   46    51    54    60   3.62500 -1.0 2.0
   46    51    56    57   0.84100 -1.0 2.0
   47    46    51    54   3.62500 -1.0 2.0
   47    46    51    56   3.62500 -1.0 2.0
   51    54   -60    38   3.62500 -1.0 2.0
   51    54    60    61   3.62500 -1.0 2.0
   54    51    56    57   0.84100 -1.0 2.0
   55    54    60    38   3.62500 -1.0 2.0
   55    54    60    61   3.62500 -1.0 2.0
   60    38    42    43   3.62500 -1.0 2.0
   60    38   -42    46   3.62500 -1.0 2.0
   56    51    54    55   3.62500 -1.0 2.0
   56    51    54    60   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    60   0.04150 -1.0 2.0
   39    44    48    49   0.00000  1.0 1.0
   39    44    48    50   0.00000  1.0 1.0
   39    44    48    52   0.65300  1.0 1.0
   39    44    48    52  -0.03850 -1.0 2.0
   39    44    48    52   0.33900  1.0 3.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    48   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    48   0.00000  1.0 1.0
   44    48    52    53   0.30150 -1.0 2.0
   44    48    52    58   0.65300  1.0 1.0
   44    48    52    58  -0.03850 -1.0 2.0
   44    48    52    58   0.33900  1.0 3.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    50   0.00000  1.0 1.0
   45    44    48    52   0.30150 -1.0 2.0
   48    52    58    59   0.04550  1.0 1.0
   48    52    58    59   0.83000 -1.0 2.0
   48    52    58    59  -0.04000  1.0 3.0
   48    52    58    62  -0.33500  1.0 1.0
   48    52    58    62   1.06600 -1.0 2.0
   48    52    58    62  -0.14000  1.0 3.0
   49    48    52    53   0.00000  1.0 1.0
   49    48    52    58   0.00000  1.0 1.0
   50    48    52    53   0.00000  1.0 1.0
   50    48    52    58   0.00000  1.0 1.0
   52    58    62    63   7.00000 -1.0 2.0
   52    58    62    64   7.00000 -1.0 2.0
   53    52    58    59   0.00000  1.0 1.0
   53    52    58    62   1.00000 -1.0 2.0
   58    62    64    65   0.15800  1.0 1.0
   58    62    64    65   1.85350 -1.0 2.0
   58    62    64    65  -0.48700  1.0 3.0
   58    62    64    73   0.15800  1.0 1.0
   58    62    64    73   1.85350 -1.0 2.0
   58    62    64    73  -0.48700  1.0 3.0
   59    58    62    63   7.00000 -1.0 2.0
   59    58    62    64   7.00000 -1.0 2.0
   62    64    65    66   3.62500 -1.0 2.0
   62    64    65    67   3.62500 -1.0 2.0
   62    64    73    70   3.62500 -1.0 2.0
   62    64    73    74   3.62500 -1.0 2.0
   63    62    64    65   0.56550  1.0 3.0
   63    62    64    73   0.56550  1.0 3.0
   64    65    67    68   3.62500 -1.0 2.0
   64    65    67    69   3.62500 -1.0 2.0
   65    64    73    70   3.62500 -1.0 2.0
   65    64    73    74   3.62500 -1.0 2.0
   65    67   -69    70   3.62500 -1.0 2.0
   65    67    69    71   3.62500 -1.0 2.0
   66    65    67    68   3.62500 -1.0 2.0
   66    65    67    69   3.62500 -1.0 2.0
   67    69    70    73   3.62500 -1.0 2.0
   67    69    70    75   3.62500 -1.0 2.0
   67    69    71    72   0.84100 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    71   3.62500 -1.0 2.0
   69    70   -73    64   3.62500 -1.0 2.0
   69    70    73    74   3.62500 -1.0 2.0
   69    70    75    76   1.63200 -1.0 2.0
   70    69    71    72   0.84100 -1.0 2.0
   70    75    76    77   0.08050  1.0 3.0
   70    75    76    78   0.08050  1.0 3.0
   70    75    76    79   0.08050  1.0 3.0
   73    64    65    66   3.62500 -1.0 2.0
   73    64   -65    67   3.62500 -1.0 2.0
   73    70    75    76   1.63200 -1.0 2.0
   75    70    73    64   3.62500 -1.0 2.0
   75    70    73    74   3.62500 -1.0 2.0
   71    69    70    73   3.62500 -1.0 2.0
   71    69    70    75   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   42    60    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   51    47    46    42   1.10000 -1.0 2.0
   54    56    51    46   4.00000 -1.0 2.0
   60    55    54    51   1.10000 -1.0 2.0
   54    61    60    38   1.10000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
   48    58    52    53  10.50000 -1.0 2.0
   52    59    58    62  15.00000 -1.0 2.0
   64    63    62    58  15.00000 -1.0 2.0
   65    73    64    62   4.00000 -1.0 2.0
   67    66    65    64   1.10000 -1.0 2.0
   69    68    67    65   1.10000 -1.0 2.0
   70    71    69    67   4.00000 -1.0 2.0
   73    75    70    69   4.00000 -1.0 2.0
   70    74    73    64   1.10000 -1.0 2.0
END
