* LIGAND DATABASE FILE (OPLS2005)
*
001      88    87    155    232     459
    1     0 S   NP   _N1_     1    28.63819    94.39730   -20.75330
    2     1 S   H    _HN1     2     1.02938    88.48752    17.90869
    3     1 S   H    _H1_     3     1.02835    33.47457   142.85862
    4     1 S   H    _H2_     4     1.02794    88.37859   -90.45871
    5     1 S   CT   _CA1     5     1.50158   144.22956   142.18543
    6     5 S   HC   _HA1     6     1.09558   105.18631    59.88530
    7     5 S   CO3  _C1_     7     1.53998   112.35315   -60.40972
    8     7 S   O2Z  _O11     8     1.26530   114.97851   -40.66443
    9     7 S   O2Z  _O12     9     1.26320   115.17228   138.30938
   10     5 S   CT   _CB1    10     1.53168   107.41836   178.12299
   11    10 S   HC   HB11    11     1.09809   109.88588   -44.79681
   12    10 S   HC   HB12    12     1.09814   110.32822    72.08889
   13    10 S   CT   _CG1    13     1.52872   112.29642  -165.62426
   14    13 S   HC   HG11    14     1.09341   110.39738   -56.37083
   15    13 S   HC   HG12    15     1.09659   109.98293    62.25093
   16    13 S   C    _CD1    16     1.51840   112.52154  -177.61361
   17    16 S   O    _OE1    17     1.22710   123.25600   -13.38576
   18    16 S   N    _N2_    18     1.38540   111.52736   167.94726
   19    18 S   H    _HN2    19     1.01451   118.79139    -0.20653
   20    18 S   CT1  _CA2    20     1.46235   123.98494   177.46796
   21    20 S   HC   _HA2    21     1.09688   109.42832    -5.58490
   22    20 S   C    _C2_    22     1.53583   108.69285  -121.61188
   23    22 S   O    _O2_    23     1.23063   122.13675  -155.23398
   24    20 S   CT   _CB2    32     1.53400   111.18748   116.89594
   25    24 S   HC   HB21    33     1.09478   109.18982    57.17500
   26    24 S   HC   HB22    34     1.09499   110.87285   175.31939
   27    22 S   N    _N3_    24     1.38256   113.91271    31.51929
   28    27 S   H    _HN3    25     1.01614   119.41118    -2.47978
   29    24 S   S    _SG2    35     1.82774   111.55196   -65.17861
   30    27 S   CT   _CA3    26     1.45261   123.30268   178.35789
   31    30 S   HC   HA31    27     1.09539   107.41569   -68.25261
   32    30 S   HC   HA32    28     1.09558   108.12801    48.26545
   33    29 S   CT   _C17    36     1.84046   100.10610   141.57674
   34    33 S   HC   _H5_    37     1.09537   110.20149    -5.46156
   35    30 S   CO3  _C3_    29     1.52949   114.00672   170.28236
   36    35 S   O2Z  _O31    30     1.26376   116.04160    -0.98079
   37    35 S   O2Z  _O32    31     1.26422   114.42068   179.08550
   38    33 S   CO3  _C18    38     1.53815   102.99042   108.51589
   39    38 S   O2Z  _O36    39     1.26268   116.49817   100.24463
   40    38 S   O2Z  _O35    40     1.26671   114.64650   -81.52459
   41    33 S   CT   _C16    41     1.53371   111.41329  -126.63615
   42    41 S   HC   _H4_    42     1.09653   109.86330  -168.67909
   43    41 S   C    _C15    43     1.52851   111.71206    71.79752
   44    43 S   O    _O34    44     1.22901   122.13817  -108.99763
   45    41 S   OH   _O37    87     1.42507   112.68788   -49.89792
   46    45 S   HO   _H30    88     0.97400   106.88126    46.48893
   47    43 S   N    _N8_    45     1.38517   113.27820    72.04435
   48    47 S   H    _H29    46     1.01584   119.05162     4.14085
   49    47 S   CT1  _C8_    47     1.45869   122.72686   174.89393
   50    49 S   HC   _H3_    48     1.09337   109.01758    23.44274
   51    49 S   C    _C9_    49     1.52724   105.68162   -94.49697
   52    51 S   O    _O33    50     1.23041   122.31869   -48.39419
   53    49 S   CTD  _C7_    74     1.53510   111.63885   146.76881
   54    53 S   HC   _H13    75     1.09826   109.67235   164.06107
   55    53 S   HC   _H14    76     1.09873   108.82536    48.59895
   56    51 S   N    _N4_    51     1.38532   113.14651   132.23867
   57    56 S   H    _H15    52     1.01819   119.74576    -3.77035
   58    53 S   CT   _C5_    77     1.54139   113.67917   -73.42521
   59    58 S   HC   _H9_    78     1.09597   109.31221    46.11529
   60    56 S   CT   _C10    53     1.45253   122.60437  -179.30423
   61    60 S   HC   _H16    54     1.09484   107.48381  -159.65138
   62    60 S   HC   _H17    55     1.09548   108.27061   -42.94233
   63    58 S   CT   _C4_    79     1.53047   111.69604   -74.16060
   64    63 S   HC   _H6_    80     1.09542   111.21434   -60.90142
   65    63 S   HC   _H7_    81     1.09545   110.64917   179.27476
   66    63 S   HC   _H8_    82     1.09272   111.70242    59.57483
   67    58 S   CT   _C6_    83     1.53051   110.11660   164.16838
   68    67 S   HC   _H10    84     1.09535   111.32424    60.41773
   69    67 S   HC   _H11    85     1.09530   110.79704  -179.26219
   70    67 S   HC   _H12    86     1.09515   110.79031   -59.86245
   71    60 S   CT   _C11    56     1.52969   112.29360    78.16432
   72    71 S   HC   _H18    57     1.09644   108.96276  -175.17200
   73    71 S   HC   _H19    58     1.09621   109.46867   -58.44793
   74    71 S   CT   _C12    59     1.53147   112.07087    63.83104
   75    74 S   HC   _H20    60     1.09168   109.10648   -53.62822
   76    74 S   HC   _H21    61     1.09630   109.37003    63.18918
   77    74 S   CT   _C13    62     1.52488   112.57181  -175.42902
   78    77 S   HC   _H22    63     1.09515   111.40307  -175.64535
   79    77 S   HC   _H23    64     1.09559   110.22975   -57.19021
   80    77 S   NG   _N5_    65     1.47311   112.65556    62.46546
   81    80 S   H    _H24    66     1.01641   118.33254  -112.69208
   82    80 S   CG   _C14    67     1.38524   124.30345    68.58353
   83    82 S   NG   _N7_    68     1.38096   118.97358  -175.66975
   84    83 S   H    _H27    69     1.01518   121.68282     0.09279
   85    83 S   H    _H28    70     1.01911   120.72377   177.49634
   86    82 S   NG   _N6_    71     1.37722   122.31881     4.38669
   87    86 S   H    _H25    72     1.01685   120.68929  -175.46102
   88    86 S   H    _H26    73     1.01871   122.97970    -0.31714
  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
  11   7   2   1   1   6   2   1   8   5   9   4   2   1  10   4
  13   7  11   4  13   5   4   8   4   9   8   9   5   4   7   3
   2   1   3   2   1   1   9   5   4   8   5   4   7   4   3   8
   3   6   5   2   1   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    47    45    46  
   38    39    40    41    42    43    45  
   36    37  
   37  
    0  
   39    40    41    42    43    45  
   40    41  
   41  
   42    43    44    47    48    49    45    46  
   43    44    47    45    46  
   44    47    48    49    50    51    53    45    46  
   47    48    49    45  
   46    47  
    0  
   48    49    50    51    52    56    53    54    55    58  
   49    50    51    53  
   50    51    52    56    57    60    53    54    55    58    59    63    67  
   51    52    56    53    54    55    58  
   52    56    57    60    61    62    71    53    54    55    58  
   56    57    60    53  
   54    55    58    59    63    64    65    66    67    68    69    70    56  
   55    58    59    63    67  
   58    59    63    67  
   57    60    61    62    71    72    73    74  
   60    61    62    71  
   59    63    64    65    66    67    68    69    70  
   63    64    65    66    67    68    69    70  
   61    62    71    72    73    74    75    76    77  
   62    71    72    73    74  
   71    72    73    74  
   64    65    66    67    68    69    70  
   65    66    67  
   66    67  
   67  
   68    69    70  
   69    70  
   70  
    0  
   72    73    74    75    76    77    78    79    80  
   73    74    75    76    77  
   74    75    76    77  
   75    76    77    78    79    80    81    82  
   76    77    78    79    80  
   77    78    79    80  
   78    79    80    81    82    83    86  
   79    80    81    82  
   80    81    82  
   81    82    83    84    85    86    87    88  
   82    83    86  
   83    84    85    86    87    88  
   84    85    86    87    88  
   85    86  
   86  
   87    88  
   88  
    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   0.007500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   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   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   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   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   48   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   49   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   57   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.050000   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   3.5000   0.0660   0.143000   1.9750   1.7500   0.005000000  -0.741685710
   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
   80   3.2500   0.1700  -0.528167   2.1120   1.8750   0.051222218  -2.220205820
   81   0.5000   0.0300   0.345100   0.9960   0.8600   0.030040813  -0.651083722
   82   2.2500   0.0500   0.837600   2.1120   1.8750   0.001000000  -0.126889456
   83   3.2500   0.1700  -0.913767   2.1120   1.8750   0.051222218  -2.220205820
   84   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   85   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.2500   0.1700  -0.913767   2.2900   2.0360   0.003973653   1.685851020
   87   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   88   0.5000   0.0300   0.460000   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    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  1.522
   33    41   268.000  1.529
   38    39   656.000  1.250
   38    40   656.000  1.250
   41    42   340.000  1.090
   41    43   317.000  1.522
   41    45   320.000  1.410
   43    44   570.000  1.229
   43    47   490.000  1.335
   47    48   434.000  1.010
   47    49   337.000  1.449
   49    50   340.000  1.090
   49    51   317.000  1.522
   49    53   268.000  1.529
   51    52   570.000  1.229
   51    56   490.000  1.335
   56    57   434.000  1.010
   56    60   337.000  1.449
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   337.000  1.463
   80    81   434.000  1.010
   80    82   481.000  1.340
   82    83   481.000  1.340
   82    86   481.000  1.340
   83    84   434.000  1.010
   83    85   434.000  1.010
   86    87   434.000  1.010
   86    88   434.000  1.010
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   268.000  1.529
   58    59   340.000  1.090
   58    63   268.000  1.529
   58    67   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   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    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    70.00000  116.78000
   29    33    41    75.00000  111.63000
   33    38    39    70.00000  117.00000
   33    38    40    70.00000  117.00000
   33    41    42    37.50000  110.70000
   33    41    43    63.00000  111.10000
   33    41    45    50.00000  109.50000
   38    33    34    35.00000  109.50000
   40    38    39    80.00000  126.00000
   41    33    34    37.50000  110.70000
   41    33    38    70.00000  109.69300
   41    43    44    80.00000  120.40000
   41    43    47    70.00000  116.60000
   41    45    46    55.00000  108.50000
   43    41    42    35.00000  109.50000
   43    47    48    35.00000  119.80000
   43    47    49    50.00000  121.90000
   47    43    44    80.00000  122.90000
   47    49    50    35.00000  109.50000
   47    49    51    63.00000  110.10000
   47    49    53    80.00000  109.70000
   49    47    48    38.00000  118.40000
   49    51    52    80.00000  120.40000
   49    51    56    70.00000  116.60000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    58    58.35000  112.70000
   51    49    50    35.00000  109.50000
   51    56    57    35.00000  119.80000
   51    56    60    50.00000  121.90000
   56    51    52    80.00000  122.90000
   56    60    61    35.00000  109.50000
   56    60    62    35.00000  109.50000
   56    60    71    70.00000  110.72300
   60    56    57    38.00000  118.40000
   60    71    72    37.50000  110.70000
   60    71    73    37.50000  110.70000
   60    71    74    58.35000  112.70000
   62    60    61    33.00000  107.80000
   71    60    61    37.50000  110.70000
   71    60    62    37.50000  110.70000
   71    74    75    37.50000  110.70000
   71    74    76    37.50000  110.70000
   71    74    77    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    37.50000  110.70000
   74    71    73    37.50000  110.70000
   74    77    78    37.50000  110.70000
   74    77    79    37.50000  110.70000
   74    77    80    80.00000  111.20000
   76    74    75    33.00000  107.80000
   77    74    75    37.50000  110.70000
   77    74    76    37.50000  110.70000
   77    80    81    35.00000  118.40000
   77    80    82    50.00000  123.20000
   79    77    78    33.00000  107.80000
   80    77    78    35.00000  109.50000
   80    77    79    35.00000  109.50000
   80    82    83    70.00000  120.00000
   80    82    86    70.00000  120.00000
   82    80    81    35.00000  120.00000
   82    83    84    35.00000  120.00000
   82    83    85    35.00000  120.00000
   82    86    87    35.00000  120.00000
   82    86    88    35.00000  120.00000
   85    83    84    35.00000  120.00000
   86    82    83    70.00000  120.00000
   88    86    87    35.00000  120.00000
   53    49    50    37.50000  110.70000
   53    49    51    63.00000  111.10000
   53    58    59    37.50000  110.70000
   53    58    63    58.35000  112.70000
   53    58    67    58.35000  112.70000
   55    53    54    33.00000  107.80000
   58    53    54    37.50000  110.70000
   58    53    55    37.50000  110.70000
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   58    63    66    37.50000  110.70000
   58    67    68    37.50000  110.70000
   58    67    69    37.50000  110.70000
   58    67    70    37.50000  110.70000
   63    58    59    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   67    58    59    37.50000  110.70000
   67    58    63    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   45    41    42    35.00000  109.50000
   45    41    43    95.00000  109.52300
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    39   0.30150 -1.0 2.0
   29    33    38    40   0.30150 -1.0 2.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.56750  1.0 1.0
   29    33    41    43  -0.07550 -1.0 2.0
   29    33    41    43   0.20000  1.0 3.0
   29    33    41    45   0.56750  1.0 1.0
   29    33    41    45  -0.07550 -1.0 2.0
   29    33    41    45   0.20000  1.0 3.0
   33    41    43    44   0.30150 -1.0 2.0
   33    41    43    47   1.39750  1.0 1.0
   33    41    43    47  -0.07950 -1.0 2.0
   33    41    43    47  -0.18750  1.0 3.0
   33    41    45    46  -0.11600  1.0 1.0
   33    41    45    46  -0.09450 -1.0 2.0
   33    41    45    46   0.21250  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    43  -0.11250  1.0 3.0
   34    33    41    45   0.23400  1.0 3.0
   38    33    41    42  -0.11250  1.0 3.0
   38    33    41    43  -0.30950  1.0 1.0
   38    33    41    43   1.11150 -1.0 2.0
   38    33    41    43   0.40350  1.0 3.0
   38    33    41    45  -5.33000  1.0 1.0
   38    33    41    45  -0.54250 -1.0 2.0
   38    33    41    45  -0.07300  1.0 3.0
   41    33    38    39   0.41150 -1.0 2.0
   41    33    38    40   0.41150 -1.0 2.0
   41    43    47    48   2.45000 -1.0 2.0
   41    43    47    49   1.15000  1.0 1.0
   41    43    47    49   3.04450 -1.0 2.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    47   0.00000  1.0 1.0
   42    41    45    46   0.19450  1.0 3.0
   43    41    45    46   0.91850  1.0 1.0
   43    41    45    46   0.57950  1.0 3.0
   43    47    49    50   0.00000  1.0 1.0
   43    47    49    51  -0.29800  1.0 1.0
   43    47    49    51   0.13950 -1.0 2.0
   43    47    49    51  -2.45650  1.0 3.0
   43    47    49    53   0.25950  1.0 1.0
   43    47    49    53   0.43850 -1.0 2.0
   43    47    49    53   2.61650  1.0 3.0
   44    43    47    48   2.45000 -1.0 2.0
   44    43    47    49   3.04450 -1.0 2.0
   47    49    51    52   0.00000  1.0 1.0
   47    49    51    56   0.37150  1.0 1.0
   47    49    51    56   1.25400 -1.0 2.0
   47    49    51    56  -0.40250  1.0 3.0
   47    49    53    54   0.23200  1.0 3.0
   47    49    53    55   0.23200  1.0 3.0
   47    49    53    58   0.26400  1.0 1.0
   47    49    53    58   0.16150 -1.0 2.0
   47    49    53    58   0.25850  1.0 3.0
   48    47    49    50   0.00000  1.0 1.0
   48    47    49    51   0.00000  1.0 1.0
   48    47    49    53   0.00000  1.0 1.0
   49    51    56    57   2.45000 -1.0 2.0
   49    51    56    60   1.15000  1.0 1.0
   49    51    56    60   3.04450 -1.0 2.0
   49    53    58    59   0.15000  1.0 3.0
   49    53    58    63   0.65000  1.0 1.0
   49    53    58    63  -0.02500 -1.0 2.0
   49    53    58    63   0.10000  1.0 3.0
   49    53    58    67   0.65000  1.0 1.0
   49    53    58    67  -0.02500 -1.0 2.0
   49    53    58    67   0.10000  1.0 3.0
   50    49    51    52   0.00000  1.0 1.0
   50    49    51    56   0.00000  1.0 1.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    55   0.15000  1.0 3.0
   50    49    53    58   0.15000  1.0 3.0
   51    49    53    54  -0.03800  1.0 3.0
   51    49    53    55  -0.03800  1.0 3.0
   51    49    53    58  -0.45800  1.0 1.0
   51    49    53    58   0.20550 -1.0 2.0
   51    56    60    61   0.00000  1.0 1.0
   51    56    60    62   0.00000  1.0 1.0
   51    56    60    71  -0.43950  1.0 1.0
   51    56    60    71  -0.08100 -1.0 2.0
   51    56    60    71   0.03350  1.0 3.0
   52    51    56    57   2.45000 -1.0 2.0
   52    51    56    60   3.04450 -1.0 2.0
   56    60    71    72   0.15000  1.0 3.0
   56    60    71    73   0.15000  1.0 3.0
   56    60    71    74   0.43900  1.0 1.0
   56    60    71    74   0.49100 -1.0 2.0
   56    60    71    74   0.28400  1.0 3.0
   57    56    60    61   0.00000  1.0 1.0
   57    56    60    62   0.00000  1.0 1.0
   57    56    60    71   0.00000  1.0 1.0
   60    71    74    75   0.15000  1.0 3.0
   60    71    74    76   0.15000  1.0 3.0
   60    71    74    77   0.56750  1.0 1.0
   60    71    74    77  -0.07550 -1.0 2.0
   60    71    74    77   0.20000  1.0 3.0
   61    60    71    72   0.15000  1.0 3.0
   61    60    71    73   0.15000  1.0 3.0
   61    60    71    74   0.15000  1.0 3.0
   62    60    71    72   0.15000  1.0 3.0
   62    60    71    73   0.15000  1.0 3.0
   62    60    71    74   0.15000  1.0 3.0
   71    74    77    78   0.15000  1.0 3.0
   71    74    77    79   0.15000  1.0 3.0
   71    74    77    80   1.34550  1.0 1.0
   71    74    77    80  -0.31050 -1.0 2.0
   71    74    77    80   0.95500  1.0 3.0
   72    71    74    75   0.15000  1.0 3.0
   72    71    74    76   0.15000  1.0 3.0
   72    71    74    77   0.15000  1.0 3.0
   73    71    74    75   0.15000  1.0 3.0
   73    71    74    76   0.15000  1.0 3.0
   73    71    74    77   0.15000  1.0 3.0
   74    77    80    81  -0.09500  1.0 1.0
   74    77    80    81  -0.20850 -1.0 2.0
   74    77    80    81   0.20900  1.0 3.0
   74    77    80    82   0.25550 -1.0 2.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    79   0.15000  1.0 3.0
   75    74    77    80  -0.29100  1.0 3.0
   76    74    77    78   0.15000  1.0 3.0
   76    74    77    79   0.15000  1.0 3.0
   76    74    77    80  -0.29100  1.0 3.0
   77    80    82    83   3.96800 -1.0 2.0
   77    80    82    86   3.96800 -1.0 2.0
   78    77    80    81   0.00000  1.0 1.0
   78    77    80    82   0.08850  1.0 3.0
   79    77    80    81   0.00000  1.0 1.0
   79    77    80    82   0.08850  1.0 3.0
   80    82    83    84   1.50000 -1.0 2.0
   80    82    83    85   1.50000 -1.0 2.0
   80    82    86    87   1.50000 -1.0 2.0
   80    82    86    88   1.50000 -1.0 2.0
   81    80    82    83   1.50000 -1.0 2.0
   81    80    82    86   1.50000 -1.0 2.0
   83    82    86    87   1.50000 -1.0 2.0
   83    82    86    88   1.50000 -1.0 2.0
   86    82    83    84   1.50000 -1.0 2.0
   86    82    83    85   1.50000 -1.0 2.0
   53    49    51    52   0.00000  1.0 1.0
   53    49    51    56   0.93250  1.0 1.0
   53    49    51    56   0.04450 -1.0 2.0
   53    49    51    56   0.17550  1.0 3.0
   53    58    63    64   0.15000  1.0 3.0
   53    58    63    65   0.15000  1.0 3.0
   53    58    63    66   0.15000  1.0 3.0
   53    58    67    68   0.15000  1.0 3.0
   53    58    67    69   0.15000  1.0 3.0
   53    58    67    70   0.15000  1.0 3.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    63   0.15000  1.0 3.0
   54    53    58    67   0.15000  1.0 3.0
   55    53    58    59   0.15000  1.0 3.0
   55    53    58    63   0.15000  1.0 3.0
   55    53    58    67   0.15000  1.0 3.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    65   0.15000  1.0 3.0
   59    58    63    66   0.15000  1.0 3.0
   59    58    67    68   0.15000  1.0 3.0
   59    58    67    69   0.15000  1.0 3.0
   59    58    67    70   0.15000  1.0 3.0
   63    58    67    68   0.15000  1.0 3.0
   63    58    67    69   0.15000  1.0 3.0
   63    58    67    70   0.15000  1.0 3.0
   67    58    63    64   0.15000  1.0 3.0
   67    58    63    65   0.15000  1.0 3.0
   67    58    63    66   0.15000  1.0 3.0
   45    41    43    44   0.30150 -1.0 2.0
   45    41    43    47   0.00000  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
   36    30    35    37  10.50000 -1.0 2.0
   39    33    38    40  10.50000 -1.0 2.0
   41    47    43    44  10.50000 -1.0 2.0
   48    43    47    49   1.00000 -1.0 2.0
   49    56    51    52  10.50000 -1.0 2.0
   57    51    56    60   1.00000 -1.0 2.0
   81    82    80    77   1.00000 -1.0 2.0
   80    83    82    86  10.50000 -1.0 2.0
   85    82    83    84   1.00000 -1.0 2.0
   87    88    86    82   1.00000 -1.0 2.0
END
