* LIGAND DATABASE FILE (OPLS2005)
*
001      79    80    153    236     457
    1     0 S   NP   _N1_     1    29.82959    98.14360   -17.91607
    2     1 S   H    _HN1     2     1.02831    60.47798   153.93453
    3     1 S   H    _H1_     3     1.02781    67.85275   -78.36056
    4     1 S   H    _H2_     4     1.02949    78.88755    36.90672
    5     1 S   CT   _CA1     5     1.50131   169.42713  -171.00160
    6     5 S   HC   _HA1     6     1.09568   105.18787    26.89080
    7     5 S   CO3  _C1_     7     1.53778   112.46358   -93.34208
    8     7 S   O2Z  _O11     8     1.26378   114.99194   -40.50119
    9     7 S   O2Z  _O12     9     1.26226   114.95721   138.64072
   10     5 S   CT   _CB1    10     1.53081   107.43071   144.95162
   11    10 S   HC   HB11    11     1.09827   109.40346   -48.62620
   12    10 S   HC   HB12    12     1.09821   110.40711    68.00278
   13    10 S   CT   _CG1    13     1.52998   112.66348  -169.61569
   14    13 S   HC   HG11    14     1.09583   110.55246   -64.87600
   15    13 S   HC   HG12    15     1.09660   109.90306    54.38125
   16    13 S   C    _CD1    16     1.51817   112.24883   174.77910
   17    16 S   O    _OE1    17     1.22730   123.27707     3.08363
   18    16 S   N    _N2_    18     1.38617   111.64228  -177.17437
   19    18 S   H    _HN2    19     1.01591   118.97296     1.61083
   20    18 S   CT1  _CA2    20     1.46313   123.43058  -179.92087
   21    20 S   HC   _HA2    21     1.09735   109.40474    -7.00031
   22    20 S   C    _C2_    22     1.53383   108.46694  -122.58556
   23    22 S   O    _O2_    23     1.23031   122.35831  -148.03385
   24    20 S   CT   _CB2    32     1.53464   111.24501   115.06262
   25    24 S   HC   HB21    33     1.09265   109.16478    56.90654
   26    24 S   HC   HB22    34     1.09498   110.45531   175.34886
   27    22 S   N    _N3_    24     1.38361   113.49047    39.46035
   28    27 S   H    _HN3    25     1.01636   119.48742    -3.63744
   29    24 S   S    _SG2    35     1.82845   110.74876   -65.53911
   30    27 S   CT   _CA3    26     1.45283   123.14658   176.96630
   31    30 S   HC   HA31    27     1.09551   107.53202   -63.72002
   32    30 S   HC   HA32    28     1.09558   107.94109    52.68765
   33    29 S   CT   _C5_    36     1.86677   102.74843   156.24113
   34    30 S   CO3  _C3_    29     1.52938   114.13125   174.66821
   35    34 S   O2Z  _O31    30     1.26367   116.06334    -0.70997
   36    34 S   O2Z  _O32    31     1.26429   114.41149   179.34808
   37    33 S   CT   _C6_    37     1.55032   110.40328   -67.17570
   38    37 S   HC   _H10    38     1.09943   108.76679   174.83669
   39    37 S   HC   _H11    39     1.09485   111.77083    59.28570
   40    33 S   CT   _C4_    76     1.53995   109.54681    52.66213
   41    40 S   HC   _H7_    77     1.09507   112.56371    52.18884
   42    40 S   HC   _H8_    78     1.09551   111.91582   -69.11618
   43    40 S   HC   _H9_    79     1.09655   110.66603   172.32182
   44    37 S   CT   _C7_    40     1.53148   113.97293   -64.80159
   45    44 S   HC   _H12    41     1.09453   109.34713    66.98091
   46    44 S   HC   _H13    42     1.09654   108.15323  -177.64698
   47    44 S   CT   _C8_    43     1.54555   112.08747   -56.34757
   48    47 S   HC   _H3_    44     1.10083   104.99084   -62.27620
   49    47 S   CT   _C9_    45     1.54300   110.51447    52.60980
   50    49 S   HC   _H14    46     1.09487   110.65663    70.97494
   51    49 S   HC   _H15    47     1.09615   109.68908  -172.63406
   52    47 S   CT   _C11    51     1.58107   112.51539  -177.86558
   53    33 S   CT   _C10    48     1.55400   110.36427   175.17838
   54    53 S   Br   Br1_    49     1.96733   113.45904   -59.93091
   55    53 S   HC   _H4_    50     1.09801   109.10402  -174.04069
   56    52 S   CT   _C12    52     1.55248   111.63035   179.23128
   57    56 S   HC   _H5_    53     1.09620   110.15435    74.55512
   58    52 S   CT   _C18    72     1.54173   110.16947   -57.84511
   59    58 S   HC   _H25    73     1.09145   112.36828  -167.11535
   60    58 S   HC   _H26    74     1.09456   111.43933    73.54807
   61    58 S   HC   _H27    75     1.09327   112.17583   -48.42413
   62    56 S   CT   _C13    54     1.52795   112.59187  -163.02004
   63    62 S   HC   _H16    55     1.09792   109.45042   173.97211
   64    62 S   HC   _H17    56     1.09542   110.62215   -69.15194
   65    56 S   OH   _O34    70     1.43198   109.91037   -43.06226
   66    65 S   HO   _H24    71     0.97248   107.59805   175.29822
   67    62 S   CT   _C14    57     1.52427   109.83679    53.88878
   68    67 S   Br   Br2_    58     1.95775   108.74007   178.62428
   69    67 S   HC   _H6_    59     1.09718   108.22625    66.35964
   70    67 S   CT   _C15    60     1.53989   112.56782   -54.91750
   71    52 S   OS   _O33    61     1.44363   103.79299    60.24921
   72    70 S   CT   _C16    62     1.53693   115.14690   -75.52533
   73    72 S   HC   _H18    63     1.09555   110.74638   162.85781
   74    72 S   HC   _H19    64     1.09173   112.44953    42.80618
   75    72 S   HC   _H20    65     1.09556   111.93559   -77.07694
   76    70 S   CT   _C17    66     1.54278   109.81876   163.38713
   77    76 S   HC   _H21    67     1.09688   110.66154  -175.18033
   78    76 S   HC   _H22    68     1.09421   112.56894    63.78061
   79    76 S   HC   _H23    69     1.09648   110.81717   -57.78184
  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  13   5   4   3
  17   2   1   1  16   7   6   8   3   2   1  12   5   4  18   8
   9   5   4  17   2   1   1  15   8   7   3   2   1  11   6   5
   3   1  12   5   4   9   8   7   3   2   1   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    53    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    49    53    54    55    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    46    47    49    50    51    53    54    55    40    41    42    43  
   35    36  
   36  
    0  
   38    39    44    45    46    47    48    49    53    54    55    52    40    41    42    43  
   39    44    45    46    47    53    40  
   44    45    46    47    53    40  
   41    42    43    44    49    53    54    55  
   42    43    53  
   43    53  
   53  
   45    46    47    48    49    50    51    53    52    56    71    58  
   46    47    48    49    52  
   47    48    49    52  
   48    49    50    51    53    54    55    52    56    57    62    70    71    65    58    59    60    61  
   49    50    51    53    52    56    71    58  
   50    51    53    54    55    52    56    71    58  
   51    53    54    55    52  
   53    54    55    52  
   56    57    62    63    64    67    70    71    72    76    65    66    58    59    60    61    53  
   54    55  
   55  
    0  
   57    62    63    64    67    68    69    70    71    65    66    58    59    60    61  
   62    63    64    67    71    65    66    58  
   59    60    61    62    65    70    71  
   60    61    71  
   61    71  
   71  
   63    64    67    68    69    70    71    72    76    65    66  
   64    67    68    69    70    65  
   67    68    69    70    65  
   66    67    71  
    0  
   68    69    70    71    72    73    74    75    76    77    78    79  
   69    70    71    72    76  
   70    71    72    76  
   71    72    73    74    75    76    77    78    79  
   72    73    74    75    76    77    78    79  
   73    74    75    76    77    78    79  
   74    75    76  
   75    76  
   76  
   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   0.278000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   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  -0.009500   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.163500   1.9750   1.7500   0.005000000  -0.741685710
   54   3.4700   0.4700  -0.203900   2.8000   2.5000   0.001000000  -0.686339560
   55   2.5000   0.0300   0.146400   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.009500   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660  -0.053000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.4700   0.4700  -0.203900   2.8000   2.5000   0.001000000  -0.686339560
   69   2.5000   0.0300   0.146400   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   79   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   268.000  1.529
   33    53   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    52   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    53   268.000  1.529
   53    54   245.000  1.990
   53    55   340.000  1.090
   52    56   268.000  1.529
   52    71   320.000  1.410
   52    58   268.000  1.529
   56    57   340.000  1.090
   56    62   268.000  1.529
   56    65   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   268.000  1.529
   67    68   245.000  1.990
   67    69   340.000  1.090
   67    70   268.000  1.529
   70    71   320.000  1.410
   70    72   268.000  1.529
   70    76   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   65    66   553.000  0.945
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   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  111.63000
   29    33    53    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    58.35000  112.70000
   33    53    49    58.35000  112.70000
   33    53    54    70.00000  109.17700
   33    53    55    37.50000  110.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    45    37.50000  110.70000
   37    44    46    37.50000  110.70000
   37    44    47    58.35000  112.70000
   39    37    38    33.00000  107.80000
   44    37    38    37.50000  110.70000
   44    37    39    37.50000  110.70000
   44    47    48    37.50000  110.70000
   44    47    49    58.35000  112.70000
   44    47    52    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    49    53    58.35000  112.70000
   47    52    56    58.35000  112.70000
   47    52    71    50.00000  109.50000
   47    52    58    58.35000  112.70000
   49    47    48    37.50000  110.70000
   49    53    54    70.00000  109.17700
   49    53    55    37.50000  110.70000
   51    49    50    33.00000  107.80000
   53    33    37    58.35000  112.70000
   53    49    50    37.50000  110.70000
   53    49    51    37.50000  110.70000
   55    53    54    51.00000  107.60000
   52    47    48    37.50000  110.70000
   52    47    49    58.35000  112.70000
   52    56    57    37.50000  110.70000
   52    56    62    58.35000  112.70000
   52    56    65    50.00000  109.50000
   52    71    70    60.00000  109.50000
   52    58    59    37.50000  110.70000
   52    58    60    37.50000  110.70000
   52    58    61    37.50000  110.70000
   56    62    63    37.50000  110.70000
   56    62    64    37.50000  110.70000
   56    62    67    58.35000  112.70000
   56    65    66    55.00000  108.50000
   62    56    57    37.50000  110.70000
   62    67    68    70.00000  109.17700
   62    67    69    37.50000  110.70000
   62    67    70    58.35000  112.70000
   64    62    63    33.00000  107.80000
   67    62    63    37.50000  110.70000
   67    62    64    37.50000  110.70000
   67    70    71    50.00000  109.50000
   67    70    72    58.35000  112.70000
   67    70    76    58.35000  112.70000
   69    67    68    51.00000  107.60000
   70    67    68    70.00000  109.17700
   70    67    69    37.50000  110.70000
   70    72    73    37.50000  110.70000
   70    72    74    37.50000  110.70000
   70    72    75    37.50000  110.70000
   70    76    77    37.50000  110.70000
   70    76    78    37.50000  110.70000
   70    76    79    37.50000  110.70000
   71    52    56    50.00000  109.50000
   72    70    71    50.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   76    70    71    50.00000  109.50000
   76    70    72    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   65    56    57    35.00000  109.50000
   65    56    62    50.00000  109.50000
   58    52    56    58.35000  112.70000
   58    52    71    50.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    53    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    44   0.44750  1.0 1.0
   29    33    37    44  -0.17800 -1.0 2.0
   29    33    37    44   0.20200  1.0 3.0
   29    33    53    49   0.44750  1.0 1.0
   29    33    53    49  -0.17800 -1.0 2.0
   29    33    53    49   0.20200  1.0 3.0
   29    33    53    54   0.56750  1.0 1.0
   29    33    53    54  -0.07550 -1.0 2.0
   29    33    53    54   0.20000  1.0 3.0
   29    33    53    55   0.15000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    37    44    45   0.15000  1.0 3.0
   33    37    44    46   0.15000  1.0 3.0
   33    37    44    47   0.56750  1.0 1.0
   33    37    44    47  -0.07550 -1.0 2.0
   33    37    44    47   0.20000  1.0 3.0
   37    33    53    49   0.56750  1.0 1.0
   37    33    53    49  -0.07550 -1.0 2.0
   37    33    53    49   0.20000  1.0 3.0
   37    33    53    54   0.74700  1.0 1.0
   37    33    53    54  -0.19600 -1.0 2.0
   37    33    53    54   0.19200  1.0 3.0
   37    33    53    55   0.15000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    43   0.15000  1.0 3.0
   37    44    47    48   0.15000  1.0 3.0
   37    44   -47    49   0.56750  1.0 1.0
   37    44   -47    49  -0.07550 -1.0 2.0
   37    44   -47    49   0.20000  1.0 3.0
   37    44    47    52   0.56750  1.0 1.0
   37    44    47    52  -0.07550 -1.0 2.0
   37    44    47    52   0.20000  1.0 3.0
   38    37    44    45   0.15000  1.0 3.0
   38    37    44    46   0.15000  1.0 3.0
   38    37    44    47   0.15000  1.0 3.0
   39    37    44    45   0.15000  1.0 3.0
   39    37    44    46   0.15000  1.0 3.0
   39    37    44    47   0.15000  1.0 3.0
   44    47    49    50   0.15000  1.0 3.0
   44    47    49    51   0.15000  1.0 3.0
   44    47    49    53   0.56750  1.0 1.0
   44    47    49    53  -0.07550 -1.0 2.0
   44    47    49    53   0.20000  1.0 3.0
   44    47    52    56   0.56750  1.0 1.0
   44    47    52    56  -0.07550 -1.0 2.0
   44    47    52    56   0.20000  1.0 3.0
   44    47    52    71   0.62750  1.0 1.0
   44    47    52    71  -0.30950 -1.0 2.0
   44    47    52    71   0.27300  1.0 3.0
   44    47    52    58   0.56750  1.0 1.0
   44    47    52    58  -0.07550 -1.0 2.0
   44    47    52    58   0.20000  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    49   0.15000  1.0 3.0
   45    44    47    52   0.15000  1.0 3.0
   46    44    47    48   0.15000  1.0 3.0
   46    44    47    49   0.15000  1.0 3.0
   46    44    47    52   0.15000  1.0 3.0
   47    49   -53    33   0.56750  1.0 1.0
   47    49   -53    33  -0.07550 -1.0 2.0
   47    49   -53    33   0.20000  1.0 3.0
   47    49    53    54   0.74700  1.0 1.0
   47    49    53    54  -0.19600 -1.0 2.0
   47    49    53    54   0.19200  1.0 3.0
   47    49    53    55   0.15000  1.0 3.0
   47    52    56    57   0.15000  1.0 3.0
   47    52    56    62   0.56750  1.0 1.0
   47    52    56    62  -0.07550 -1.0 2.0
   47    52    56    62   0.20000  1.0 3.0
   47    52    56    65   0.86500  1.0 1.0
   47    52    56    65  -0.17500 -1.0 2.0
   47    52    56    65   0.20800  1.0 3.0
   47    52    71    70   0.06250  1.0 1.0
   47    52    71    70  -0.01100 -1.0 2.0
   47    52    71    70   0.28050  1.0 3.0
   47    52    58    59   0.15000  1.0 3.0
   47    52    58    60   0.15000  1.0 3.0
   47    52    58    61   0.15000  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    53   0.15000  1.0 3.0
   48    47    52    56   0.15000  1.0 3.0
   48    47    52    71   0.23400  1.0 3.0
   48    47    52    58   0.15000  1.0 3.0
   49    47    52    56   0.56750  1.0 1.0
   49    47    52    56  -0.07550 -1.0 2.0
   49    47    52    56   0.20000  1.0 3.0
   49    47    52    71   0.62750  1.0 1.0
   49    47    52    71  -0.30950 -1.0 2.0
   49    47    52    71   0.27300  1.0 3.0
   49    47    52    58   0.56750  1.0 1.0
   49    47    52    58  -0.07550 -1.0 2.0
   49    47    52    58   0.20000  1.0 3.0
   50    49    53    33   0.15000  1.0 3.0
   50    49    53    54   0.39750  1.0 3.0
   50    49    53    55   0.15000  1.0 3.0
   51    49    53    33   0.15000  1.0 3.0
   51    49    53    54   0.39750  1.0 3.0
   51    49    53    55   0.15000  1.0 3.0
   53    33    37    38   0.15000  1.0 3.0
   53    33    37    39   0.15000  1.0 3.0
   53    33   -37    44   0.56750  1.0 1.0
   53    33   -37    44  -0.07550 -1.0 2.0
   53    33   -37    44   0.20000  1.0 3.0
   53    33    40    41   0.15000  1.0 3.0
   53    33    40    42   0.15000  1.0 3.0
   53    33    40    43   0.15000  1.0 3.0
   52    47    49    50   0.15000  1.0 3.0
   52    47    49    51   0.15000  1.0 3.0
   52    47    49    53   0.56750  1.0 1.0
   52    47    49    53  -0.07550 -1.0 2.0
   52    47    49    53   0.20000  1.0 3.0
   52    56    62    63   0.15000  1.0 3.0
   52    56    62    64   0.15000  1.0 3.0
   52    56    62    67   0.56750  1.0 1.0
   52    56    62    67  -0.07550 -1.0 2.0
   52    56    62    67   0.20000  1.0 3.0
   52    56    65    66  -0.11600  1.0 1.0
   52    56    65    66  -0.09450 -1.0 2.0
   52    56    65    66   0.21250  1.0 3.0
   56    52    71    70   0.06250  1.0 1.0
   56    52    71    70  -0.01100 -1.0 2.0
   56    52    71    70   0.28050  1.0 3.0
   56    52    58    59   0.15000  1.0 3.0
   56    52    58    60   0.15000  1.0 3.0
   56    52    58    61   0.15000  1.0 3.0
   56    62    67    68   0.74700  1.0 1.0
   56    62    67    68  -0.19600 -1.0 2.0
   56    62    67    68   0.19200  1.0 3.0
   56    62    67    69   0.15000  1.0 3.0
   56    62   -67    70   0.56750  1.0 1.0
   56    62   -67    70  -0.07550 -1.0 2.0
   56    62   -67    70   0.20000  1.0 3.0
   57    56    62    63   0.15000  1.0 3.0
   57    56    62    64   0.15000  1.0 3.0
   57    56    62    67   0.15000  1.0 3.0
   57    56    65    66   0.19450  1.0 3.0
   62    56    65    66  -0.11600  1.0 1.0
   62    56    65    66  -0.09450 -1.0 2.0
   62    56    65    66   0.21250  1.0 3.0
   62    67    70    71   0.62750  1.0 1.0
   62    67    70    71  -0.30950 -1.0 2.0
   62    67    70    71   0.27300  1.0 3.0
   62    67    70    72   0.56750  1.0 1.0
   62    67    70    72  -0.07550 -1.0 2.0
   62    67    70    72   0.20000  1.0 3.0
   62    67    70    76   0.56750  1.0 1.0
   62    67    70    76  -0.07550 -1.0 2.0
   62    67    70    76   0.20000  1.0 3.0
   63    62    67    68   0.39750  1.0 3.0
   63    62    67    69   0.15000  1.0 3.0
   63    62    67    70   0.15000  1.0 3.0
   64    62    67    68   0.39750  1.0 3.0
   64    62    67    69   0.15000  1.0 3.0
   64    62    67    70   0.15000  1.0 3.0
   67    70   -71    52   0.06250  1.0 1.0
   67    70   -71    52  -0.01100 -1.0 2.0
   67    70   -71    52   0.28050  1.0 3.0
   67    70    72    73   0.15000  1.0 3.0
   67    70    72    74   0.15000  1.0 3.0
   67    70    72    75   0.15000  1.0 3.0
   67    70    76    77   0.15000  1.0 3.0
   67    70    76    78   0.15000  1.0 3.0
   67    70    76    79   0.15000  1.0 3.0
   68    67    70    71   0.56750  1.0 1.0
   68    67    70    71  -0.07550 -1.0 2.0
   68    67    70    71   0.20000  1.0 3.0
   68    67    70    72   0.74700  1.0 1.0
   68    67    70    72  -0.19600 -1.0 2.0
   68    67    70    72   0.19200  1.0 3.0
   68    67    70    76   0.74700  1.0 1.0
   68    67    70    76  -0.19600 -1.0 2.0
   68    67    70    76   0.19200  1.0 3.0
   69    67    70    71   0.23400  1.0 3.0
   69    67    70    72   0.15000  1.0 3.0
   69    67    70    76   0.15000  1.0 3.0
   71    52    56    57   0.23400  1.0 3.0
   71    52   -56    62   0.62750  1.0 1.0
   71    52   -56    62  -0.30950 -1.0 2.0
   71    52   -56    62   0.27300  1.0 3.0
   71    52    56    65   3.69350  1.0 1.0
   71    52    56    65  -1.82950 -1.0 2.0
   71    52    58    59   0.23400  1.0 3.0
   71    52    58    60   0.23400  1.0 3.0
   71    52    58    61   0.23400  1.0 3.0
   71    70    72    73   0.23400  1.0 3.0
   71    70    72    74   0.23400  1.0 3.0
   71    70    72    75   0.23400  1.0 3.0
   71    70    76    77   0.23400  1.0 3.0
   71    70    76    78   0.23400  1.0 3.0
   71    70    76    79   0.23400  1.0 3.0
   72    70    71    52   0.06250  1.0 1.0
   72    70    71    52  -0.01100 -1.0 2.0
   72    70    71    52   0.28050  1.0 3.0
   72    70    76    77   0.15000  1.0 3.0
   72    70    76    78   0.15000  1.0 3.0
   72    70    76    79   0.15000  1.0 3.0
   76    70    71    52   0.06250  1.0 1.0
   76    70    71    52  -0.01100 -1.0 2.0
   76    70    71    52   0.28050  1.0 3.0
   76    70    72    73   0.15000  1.0 3.0
   76    70    72    74   0.15000  1.0 3.0
   76    70    72    75   0.15000  1.0 3.0
   65    56    62    63   0.23400  1.0 3.0
   65    56    62    64   0.23400  1.0 3.0
   65    56    62    67   0.86500  1.0 1.0
   65    56    62    67  -0.17500 -1.0 2.0
   65    56    62    67   0.20800  1.0 3.0
   58    52    56    57   0.15000  1.0 3.0
   58    52    56    62   0.56750  1.0 1.0
   58    52    56    62  -0.07550 -1.0 2.0
   58    52    56    62   0.20000  1.0 3.0
   58    52    56    65   0.86500  1.0 1.0
   58    52    56    65  -0.17500 -1.0 2.0
   58    52    56    65   0.20800  1.0 3.0
   58    52    71    70   0.06250  1.0 1.0
   58    52    71    70  -0.01100 -1.0 2.0
   58    52    71    70   0.28050  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    44   0.56750  1.0 1.0
   40    33    37    44  -0.07550 -1.0 2.0
   40    33    37    44   0.20000  1.0 3.0
   40    33    53    49   0.56750  1.0 1.0
   40    33    53    49  -0.07550 -1.0 2.0
   40    33    53    49   0.20000  1.0 3.0
   40    33    53    54   0.74700  1.0 1.0
   40    33    53    54  -0.19600 -1.0 2.0
   40    33    53    54   0.19200  1.0 3.0
   40    33    53    55   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
END
