* LIGAND DATABASE FILE (OPLS2005)
*
001      78    79    143    221     429
    1     0 S   NP   _N1_     1    28.93711    94.15771   -23.97585
    2     1 S   H    _HN1     2     1.02780   111.23052   -81.64692
    3     1 S   H    _H1_     3     1.02959    81.97173    24.96608
    4     1 S   H    _H2_     4     1.02836    25.83038  -168.99557
    5     1 S   CT   _CA1     5     1.50116   127.31384   134.54540
    6     5 S   HC   _HA1     6     1.09575   105.22971    81.99879
    7     5 S   CO3  _C1_     7     1.53778   112.40412   -38.22315
    8     7 S   O2Z  _O11     8     1.26360   114.99892   -43.69782
    9     7 S   O2Z  _O12     9     1.26237   114.91772   135.49617
   10     5 S   CT   _CB1    10     1.53093   107.43631  -160.08065
   11    10 S   HC   HB11    11     1.09827   109.32213   -50.75251
   12    10 S   HC   HB12    12     1.09819   110.42073    65.79240
   13    10 S   CT   _CG1    13     1.53021   112.68410  -171.84520
   14    13 S   HC   HG11    14     1.09593   110.47802   -64.27055
   15    13 S   HC   HG12    15     1.09656   109.95256    54.96538
   16    13 S   C    _CD1    16     1.51811   112.29982   175.32605
   17    16 S   O    _OE1    17     1.22723   123.24080    -0.34150
   18    16 S   N    _N2_    18     1.38629   111.67196   179.80119
   19    18 S   H    _HN2    19     1.01586   119.02870     1.16735
   20    18 S   CT1  _CA2    20     1.46091   123.37643   179.43214
   21    20 S   HC   _HA2    21     1.09605   109.21588    -5.67178
   22    20 S   C    _C2_    22     1.53420   108.78760  -120.64666
   23    22 S   O    _O2_    23     1.23047   122.21271  -146.59129
   24    20 S   CT   _CB2    32     1.53273   111.52920   116.71002
   25    24 S   HC   HB21    33     1.09640   109.85118    56.60298
   26    24 S   HC   HB22    34     1.09550   111.20536   174.25642
   27    22 S   N    _N3_    24     1.38492   113.51337    41.46548
   28    27 S   H    _HN3    25     1.01502   119.04585    -1.36659
   29    24 S   S    _SG2    35     1.82867   114.18134   -63.58920
   30    27 S   CT   _CA3    26     1.45389   123.13245   173.87964
   31    30 S   HC   HA31    27     1.09534   109.14957    29.80775
   32    30 S   HC   HA32    28     1.09496   107.28523   146.79074
   33    29 S   CT   _C14    36     1.82631    99.49898   -64.39313
   34    33 S   HC   _H13    37     1.09284   108.31949   -36.94917
   35    33 S   HC   _H14    38     1.09380   108.49363    81.36951
   36    30 S   CO3  _C3_    29     1.52885   112.61366   -93.43985
   37    36 S   O2Z  _O31    30     1.26419   115.14075   -55.13384
   38    36 S   O2Z  _O32    31     1.26312   115.17124   125.48926
   39    33 S   CT   _C13    39     1.52779   110.97739  -157.35478
   40    39 S   HC   _H10    40     1.09721   110.34305   -51.85650
   41    39 S   CT   _C12    41     1.52892   111.45919  -175.18635
   42    41 S   HC   _H9_    42     1.09645   112.44050   -26.58198
   43    41 S   CT   _C11    43     1.51506   101.95489  -145.33310
   44    43 S   HC   _H8_    44     1.09738   110.17644   -78.75497
   45    41 S   OH   _O36    77     1.41799   112.25119    94.70847
   46    45 S   HO   _H15    78     0.97251   108.54488    55.59136
   47    43 S   CO   _C10    45     1.53285   101.06015    39.25323
   48    43 S   OH   _O37    75     1.41560   111.99809   160.63810
   49    48 S   HO   _H16    76     0.97273   107.33195    55.77449
   50    39 S   OS   _O35    46     1.44432   110.09182    66.92300
   51    47 S   CT   _C15    47     1.53369   112.24117  -158.30710
   52    51 S   HC   _H17    48     1.09432   111.44961   177.72342
   53    51 S   HC   _H18    49     1.09602   110.40334    59.07974
   54    47 S   OS1  _O34    52     1.43622   108.10991    78.10420
   55    51 S   OH   _O38    50     1.42032   111.08848   -61.69115
   56    55 S   HO   _H19    51     0.97239   107.20469   178.31275
   57    54 S   CO1  _C9_    53     1.42740   115.98368  -168.30324
   58    57 S   HC   _H7_    54     1.09529   111.39731     0.50937
   59    57 S   CT   _C8_    55     1.53276   109.48644  -120.21206
   60    59 S   HC   _H6_    56     1.09553   111.27007    53.78847
   61    59 S   CT   _C7_    57     1.53042   110.49718   -67.69081
   62    61 S   HC   _H5_    58     1.09698   110.13654    68.41084
   63    59 S   OH5  _O39    73     1.42985   109.29165   172.02605
   64    63 S   HO   _H20    74     0.97237   107.75149   -60.12817
   65    61 S   CT   _C6_    59     1.53073   110.78579   -52.93441
   66    65 S   HC   _H4_    60     1.09675   109.35563   -70.04205
   67    61 S   OH5  _O40    71     1.42738   110.37184  -174.16981
   68    67 S   HO   _H21    72     0.97215   107.62020   -53.75822
   69    65 S   CT   _C5_    61     1.53553   110.63787    51.82217
   70    69 S   HC   _H3_    62     1.09799   110.66717    66.94605
   71    65 S   OH5  _O41    69     1.42823   109.61846   173.12451
   72    71 S   HO   _H22    70     0.97244   108.05118   -57.96191
   73    57 S   OS1  _O33    63     1.43627   111.62115   117.41725
   74    69 S   CT   _C4_    64     1.53196   110.92376  -173.16015
   75    74 S   HC   _H11    65     1.09512   110.87813    72.19982
   76    74 S   HC   _H12    66     1.09393   111.60988   -50.07916
   77    74 S   OH5  _O42    67     1.42431   109.36470  -169.01660
   78    77 S   HO   _H23    68     0.97354   106.81511  -176.12303
  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   7   5   4   3
  10   5   4   2   1   1  12   6  11   7  13   7   4   1  13   4
   1   6   6   4   3   9   1   1  13   6  12   7  13   7   4   1
  12   7   3   1   9   6   3   1   4   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    50  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    47    50    45  
   35    39    40    41    50  
   39    40    41    50  
   37    38  
   38  
    0  
   40    41    42    43    44    47    50    51    54    48    45    46  
   41    42    43    47    50    45  
   42    43    44    47    50    51    54    48    49    45    46  
   43    44    47    50    48    45    46  
   44    47    50    51    52    53    55    54    57    48    49    45    46  
   47    50    51    54    48    49    45  
   46    47    48    50  
    0  
   50    51    52    53    55    56    54    57    58    59    73    48    49  
   49    50    51    54  
    0  
   51    52    53    55    54    57  
   52    53    55    56    54    57  
   53    55    56    54  
   55    56    54  
   57    58    59    60    61    69    73    63    55  
   56  
    0  
   58    59    60    61    62    65    69    70    73    74    67    63    64  
   59    60    61    69    73    63  
   60    61    62    65    66    69    73    71    67    68    63    64  
   61    62    65    73    67    63    64  
   62    65    66    69    70    73    74    71    72    67    68    63    64  
   65    66    69    71    67    68    63  
   64    65    67    73  
    0  
   66    69    70    73    74    75    76    77    71    72    67    68  
   69    70    73    74    71    72    67  
   68    69    71  
    0  
   70    73    74    75    76    77    78    71    72  
   73    74    75    76    77    71  
   72    73    74  
    0  
   74    75    76    77  
   75    76    77    78  
   76    77    78  
   77    78  
   78  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    50   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   320.000  1.410
   43    44   340.000  1.090
   43    47   250.000  1.527
   43    48   320.000  1.410
   47    50   320.000  1.380
   47    51   250.000  1.527
   47    54   320.000  1.380
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    55   320.000  1.410
   55    56   553.000  0.945
   54    57   370.000  1.399
   57    58   360.000  1.097
   57    59   255.000  1.525
   57    73   370.000  1.399
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    63   355.000  1.421
   61    62   340.000  1.090
   61    65   268.000  1.529
   61    67   355.000  1.421
   65    66   340.000  1.090
   65    69   268.000  1.529
   65    71   355.000  1.421
   69    70   340.000  1.090
   69    73   335.000  1.422
   69    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   355.000  1.421
   77    78   580.000  0.967
   71    72   580.000  0.967
   67    68   580.000  0.967
   63    64   580.000  0.967
   48    49   553.000  0.945
   45    46   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    50    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    45    50.00000  109.50000
   39    50    47    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    47    75.00000  109.43000
   41    43    48    50.00000  109.50000
   41    45    46    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    47    50    90.00000  108.56700
   43    47    51    65.00000  112.71400
   43    47    54    90.00000  108.56700
   43    48    49    55.00000  108.50000
   47    43    44    45.00000  108.72000
   47    51    52    45.00000  108.72000
   47    51    53    45.00000  108.72000
   47    51    55    90.00000  111.58700
   47    54    57    90.00000  112.10700
   50    39    40    35.00000  109.50000
   50    39    41    50.00000  109.50000
   51    47    50    90.00000  108.56700
   51    55    56    55.00000  108.50000
   53    51    52    33.00000  107.80000
   55    51    52    35.00000  109.50000
   55    51    53    35.00000  109.50000
   54    47    50    92.60000  111.55000
   54    47    51    90.00000  108.56700
   54    57    58    60.00000  105.75400
   54    57    59    90.00000  109.70700
   54    57    73   110.00000  113.16000
   57    59    60    45.00000  109.54000
   57    59    61    70.00000  111.10000
   57    59    63    90.00000  109.42000
   57    73    69    90.00000  112.10700
   59    57    58    45.00000  111.65000
   59    61    62    37.50000  110.70000
   59    61    65    58.35000  112.70000
   59    61    67    90.00000  111.45300
   59    63    64    65.00000  108.53500
   61    59    60    37.50000  110.70000
   61    65    66    37.50000  110.70000
   61    65    69    58.35000  112.70000
   61    65    71    90.00000  111.45300
   61    67    68    65.00000  108.53500
   65    61    62    37.50000  110.70000
   65    69    70    37.50000  110.70000
   65    69    73    95.00000  107.88500
   65    69    74    58.35000  112.70000
   65    71    72    65.00000  108.53500
   69    65    66    37.50000  110.70000
   69    74    75    37.50000  110.70000
   69    74    76    37.50000  110.70000
   69    74    77    90.00000  111.45300
   73    57    58    60.00000  105.75400
   73    57    59    90.00000  109.70700
   73    69    70    55.00000  108.98800
   74    69    70    37.50000  110.70000
   74    69    73    95.00000  107.88500
   74    77    78    65.00000  108.53500
   76    74    75    33.00000  107.80000
   77    74    75    60.00000  109.39000
   77    74    76    60.00000  109.39000
   71    65    66    60.00000  109.39000
   71    65    69    90.00000  111.45300
   67    61    62    60.00000  109.39000
   67    61    65    90.00000  111.45300
   63    59    60    60.00000  109.39000
   63    59    61    90.00000  111.45300
   48    43    44    35.00000  109.50000
   48    43    47    90.00000  111.58700
   45    41    42    35.00000  109.50000
   45    41    43    50.00000  109.50000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    50   0.56750  1.0 1.0
   29    33    39    50  -0.07550 -1.0 2.0
   29    33    39    50   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    45   0.86500  1.0 1.0
   33    39    41    45  -0.17500 -1.0 2.0
   33    39    41    45   0.20800  1.0 3.0
   33    39    50    47   0.06250  1.0 1.0
   33    39    50    47  -0.01100 -1.0 2.0
   33    39    50    47   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    50   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    50   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41   -43    47   3.97050  1.0 1.0
   39    41    43    48   0.86500  1.0 1.0
   39    41    43    48  -0.17500 -1.0 2.0
   39    41    43    48   0.20800  1.0 3.0
   39    41    45    46  -0.11600  1.0 1.0
   39    41    45    46  -0.09450 -1.0 2.0
   39    41    45    46   0.21250  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.23400  1.0 3.0
   40    39    50    47   0.37050  1.0 3.0
   41    39   -50    47   0.06250  1.0 1.0
   41    39   -50    47  -0.01100 -1.0 2.0
   41    39   -50    47   0.28050  1.0 3.0
   41    43   -47    50   0.62750  1.0 1.0
   41    43   -47    50  -0.30950 -1.0 2.0
   41    43   -47    50   0.27300  1.0 3.0
   41    43    47    51   0.56750  1.0 1.0
   41    43    47    51  -0.07550 -1.0 2.0
   41    43    47    51   0.20000  1.0 3.0
   41    43    47    54   0.62750  1.0 1.0
   41    43    47    54  -0.30950 -1.0 2.0
   41    43    47    54   0.27300  1.0 3.0
   41    43    48    49  -0.11600  1.0 1.0
   41    43    48    49  -0.09450 -1.0 2.0
   41    43    48    49   0.21250  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    43    48   0.23400  1.0 3.0
   42    41    45    46   0.19450  1.0 3.0
   43    41    45    46  -0.11600  1.0 1.0
   43    41    45    46  -0.09450 -1.0 2.0
   43    41    45    46   0.21250  1.0 3.0
   43    47   -50    39   0.06250  1.0 1.0
   43    47   -50    39  -0.01100 -1.0 2.0
   43    47   -50    39   0.28050  1.0 3.0
   43    47    51    52   0.15000  1.0 3.0
   43    47    51    53   0.15000  1.0 3.0
   43    47    51    55   0.86500  1.0 1.0
   43    47    51    55  -0.17500 -1.0 2.0
   43    47    51    55   0.20800  1.0 3.0
   43    47    54    57   0.06250  1.0 1.0
   43    47    54    57  -0.01100 -1.0 2.0
   43    47    54    57   0.28050  1.0 3.0
   44    43    47    50   0.23400  1.0 3.0
   44    43    47    51   0.15000  1.0 3.0
   44    43    47    54   0.23400  1.0 3.0
   44    43    48    49   0.19450  1.0 3.0
   47    43    48    49  -0.11600  1.0 1.0
   47    43    48    49  -0.09450 -1.0 2.0
   47    43    48    49   0.21250  1.0 3.0
   47    51    55    56  -0.11600  1.0 1.0
   47    51    55    56  -0.09450 -1.0 2.0
   47    51    55    56   0.21250  1.0 3.0
   47    54    57    58   0.37050  1.0 3.0
   47    54    57    59   0.06250  1.0 1.0
   47    54    57    59  -0.01100 -1.0 2.0
   47    54    57    59   0.28050  1.0 3.0
   47    54    57    73  -0.12700  1.0 1.0
   47    54    57    73  -1.16200 -1.0 2.0
   47    54    57    73   0.58800  1.0 3.0
   50    39    41    42   0.23400  1.0 3.0
   50    39   -41    43   0.62750  1.0 1.0
   50    39   -41    43  -0.30950 -1.0 2.0
   50    39   -41    43   0.27300  1.0 3.0
   50    39    41    45   3.69350  1.0 1.0
   50    39    41    45  -1.82950 -1.0 2.0
   50    47    51    52   0.23400  1.0 3.0
   50    47    51    53   0.23400  1.0 3.0
   50    47    51    55   3.69350  1.0 1.0
   50    47    51    55  -1.82950 -1.0 2.0
   50    47    54    57  -0.53350  1.0 1.0
   50    47    54    57  -0.78350 -1.0 2.0
   50    47    54    57   0.33750  1.0 3.0
   51    47    50    39   0.06250  1.0 1.0
   51    47    50    39  -0.01100 -1.0 2.0
   51    47    50    39   0.28050  1.0 3.0
   51    47    54    57   0.06250  1.0 1.0
   51    47    54    57  -0.01100 -1.0 2.0
   51    47    54    57   0.28050  1.0 3.0
   52    51    55    56   0.19450  1.0 3.0
   53    51    55    56   0.19450  1.0 3.0
   54    47    50    39  -0.53350  1.0 1.0
   54    47    50    39  -0.78350 -1.0 2.0
   54    47    50    39   0.33750  1.0 3.0
   54    47    51    52   0.23400  1.0 3.0
   54    47    51    53   0.23400  1.0 3.0
   54    47    51    55   3.69350  1.0 1.0
   54    47    51    55  -1.82950 -1.0 2.0
   54    57    59    60   0.23400  1.0 3.0
   54    57    59    61   0.62750  1.0 1.0
   54    57    59    61  -0.30950 -1.0 2.0
   54    57    59    61   0.27300  1.0 3.0
   54    57    59    63   1.51850  1.0 1.0
   54    57    73    69  -0.70400  1.0 1.0
   54    57    73    69  -0.90350 -1.0 2.0
   57    59    61    62   0.15000  1.0 3.0
   57    59    61    65   0.56750  1.0 1.0
   57    59    61    65  -0.07550 -1.0 2.0
   57    59    61    65   0.20000  1.0 3.0
   57    59    61    67  -0.47750  1.0 1.0
   57    59    63    64   0.29150  1.0 1.0
   57    59    63    64  -0.28350 -1.0 2.0
   57    59    63    64   0.43600  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    61   0.15000  1.0 3.0
   58    57    59    63   0.23400  1.0 3.0
   58    57    73    69   0.37050  1.0 3.0
   59    57    73    69   0.06250  1.0 1.0
   59    57    73    69  -0.01100 -1.0 2.0
   59    57    73    69   0.28050  1.0 3.0
   59    61    65    66   0.15000  1.0 3.0
   59    61   -65    69   0.56750  1.0 1.0
   59    61   -65    69  -0.07550 -1.0 2.0
   59    61   -65    69   0.20000  1.0 3.0
   59    61    65    71  -0.47750  1.0 1.0
   59    61    67    68   0.29150  1.0 1.0
   59    61    67    68  -0.28350 -1.0 2.0
   59    61    67    68   0.43600  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    65   0.15000  1.0 3.0
   60    59    61    67   0.23400  1.0 3.0
   60    59    63    64   0.19450  1.0 3.0
   61    59    63    64   0.29150  1.0 1.0
   61    59    63    64  -0.28350 -1.0 2.0
   61    59    63    64   0.43600  1.0 3.0
   61    65    69    70   0.15000  1.0 3.0
   61    65    69    73   0.62750  1.0 1.0
   61    65    69    73  -0.30950 -1.0 2.0
   61    65    69    73   0.27300  1.0 3.0
   61    65    69    74   0.56750  1.0 1.0
   61    65    69    74  -0.07550 -1.0 2.0
   61    65    69    74   0.20000  1.0 3.0
   61    65    71    72   0.29150  1.0 1.0
   61    65    71    72  -0.28350 -1.0 2.0
   61    65    71    72   0.43600  1.0 3.0
   62    61    65    66   0.15000  1.0 3.0
   62    61    65    69   0.15000  1.0 3.0
   62    61    65    71   0.23400  1.0 3.0
   62    61    67    68   0.19450  1.0 3.0
   65    61    67    68   0.29150  1.0 1.0
   65    61    67    68  -0.28350 -1.0 2.0
   65    61    67    68   0.43600  1.0 3.0
   65    69   -73    57   0.06250  1.0 1.0
   65    69   -73    57  -0.01100 -1.0 2.0
   65    69   -73    57   0.28050  1.0 3.0
   65    69    74    75   0.15000  1.0 3.0
   65    69    74    76   0.15000  1.0 3.0
   65    69    74    77  -0.47750  1.0 1.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    73   0.23400  1.0 3.0
   66    65    69    74   0.15000  1.0 3.0
   66    65    71    72   0.19450  1.0 3.0
   69    65    71    72   0.29150  1.0 1.0
   69    65    71    72  -0.28350 -1.0 2.0
   69    65    71    72   0.43600  1.0 3.0
   69    74    77    78   0.29150  1.0 1.0
   69    74    77    78  -0.28350 -1.0 2.0
   69    74    77    78   0.43600  1.0 3.0
   70    69    73    57   0.37050  1.0 3.0
   70    69    74    75   0.15000  1.0 3.0
   70    69    74    76   0.15000  1.0 3.0
   70    69    74    77   0.23400  1.0 3.0
   73    57    59    60   0.23400  1.0 3.0
   73    57   -59    61   0.62750  1.0 1.0
   73    57   -59    61  -0.30950 -1.0 2.0
   73    57   -59    61   0.27300  1.0 3.0
   73    57    59    63   1.51850  1.0 1.0
   73    69    74    75   0.23400  1.0 3.0
   73    69    74    76   0.23400  1.0 3.0
   73    69    74    77   1.51850  1.0 1.0
   74    69    73    57   0.06250  1.0 1.0
   74    69    73    57  -0.01100 -1.0 2.0
   74    69    73    57   0.28050  1.0 3.0
   75    74    77    78   0.19450  1.0 3.0
   76    74    77    78   0.19450  1.0 3.0
   71    65    69    70   0.23400  1.0 3.0
   71    65    69    73   1.51850  1.0 1.0
   71    65    69    74  -0.47750  1.0 1.0
   67    61    65    66   0.23400  1.0 3.0
   67    61    65    69  -0.47750  1.0 1.0
   67    61    65    71   3.77950  1.0 1.0
   63    59    61    62   0.23400  1.0 3.0
   63    59    61    65  -0.47750  1.0 1.0
   63    59    61    67   3.77950  1.0 1.0
   48    43    47    50   3.69350  1.0 1.0
   48    43    47    50  -1.82950 -1.0 2.0
   48    43    47    51   0.86500  1.0 1.0
   48    43    47    51  -0.17500 -1.0 2.0
   48    43    47    51   0.20800  1.0 3.0
   48    43    47    54   3.69350  1.0 1.0
   48    43    47    54  -1.82950 -1.0 2.0
   45    41    43    44   0.23400  1.0 3.0
   45    41    43    47   0.86500  1.0 1.0
   45    41    43    47  -0.17500 -1.0 2.0
   45    41    43    47   0.20800  1.0 3.0
   45    41    43    48   3.75450  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
END
