* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    143    220     414
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02053    50.53321    96.15586
    3     1 S   H    _H1_     3     1.02149    61.76677  -107.94342
    4     1 S   H    _H2_     4     1.02028   106.17128    -5.03287
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C16    36     1.81652    98.14352  -178.23719
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   N    _N5_    37     1.44091   109.63994   -59.98454
   38    37 S   H    _H17    38     1.01880   120.30484    70.24015
   39    33 S   OH   _O35    79     1.42059   110.93906    59.29067
   40    39 S   HO   _H18    80     0.97075   106.77323    59.73414
   41    37 S   C    _C15    39     1.38259   119.30754  -112.90641
   42    41 S   O    _O34    40     1.22623   124.47883   179.59749
   43    41 S   CT   _C14    41     1.51531   112.14870     0.49258
   44    43 S   HC   _H3_    42     1.10576   108.66195   109.60063
   45    33 S   S    _S1_    43     1.80945   110.71130  -176.66728
   46    43 S   CT   _C13    44     1.51867   111.35224  -128.44074
   47    46 S   HC   _H15    45     1.09728   109.79563    77.12021
   48    46 S   HC   _H16    46     1.09743   109.81308   -38.93787
   49    46 S   CA   _C10    47     1.50655   111.90796  -160.86912
   50    49 S   CA   _C9_    48     1.39564   119.98118   -90.02730
   51    50 S   HA   _H12    49     1.08656   120.48431     0.01978
   52    50 S   CA   _C8_    50     1.39447   120.01544  -179.97202
   53    52 S   HA   _H11    51     1.08673   119.67084  -179.96574
   54    52 S   CA   _C7_    52     1.39534   119.98063    -0.02798
   55    54 S   CA   _C12    53     1.39473   119.98816     0.01978
   56    55 S   HA   _H14    54     1.08626   120.31106   180.00000
   57    54 S   OS   _O33    57     1.36040   119.96951   179.97202
   58    49 S   CA   _C11    55     1.39455   120.03943    89.96801
   59    58 S   HA   _H13    56     1.08669   120.48528    -0.01978
   60    57 S   CT   _C6_    58     1.42699   117.11082   150.00054
   61    60 S   HC   _H9_    59     1.09518   107.92384   -30.03665
   62    60 S   HC   _H10    60     1.09486   108.74727    88.14881
   63    60 S   CT   _C5_    61     1.51723   109.42126  -149.74959
   64    63 S   HC   _H7_    62     1.09490   111.23345   178.14628
   65    63 S   HC   _H8_    63     1.09409   110.36918   -60.58234
   66    63 S   NE   _N4_    64     1.48034   109.62867    58.45335
   67    66 S   CA   _C17    65     1.38276   120.13270    81.46074
   68    66 S   CT   _C4_    75     1.44658   117.30006   -99.09342
   69    68 S   HC   _H4_    76     1.09358   110.06297     0.59182
   70    68 S   HC   _H5_    77     1.09280   110.22850  -119.36907
   71    68 S   HC   _H6_    78     1.09323   110.23450   120.61130
   72    67 S   CA   _C18    66     1.38560   117.23567   179.36357
   73    72 S   HA   _H19    67     1.08492   121.87670     0.03956
   74    72 S   CA   _C19    68     1.39038   117.88509  -179.95577
   75    74 S   HA   _H20    69     1.08618   120.12017   179.94766
   76    74 S   CA   _C20    70     1.39032   119.77281    -0.01978
   77    76 S   HA   _H21    71     1.08395   121.02315   179.95577
   78    76 S   CA   _C21    72     1.38595   117.88621     0.02798
   79    78 S   HA   _H22    73     1.08454   120.75772   179.98022
   80    67 S   NB   _N6_    74     1.35206   118.70209    -0.60101
  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   8   5   4   3
  10   2   1   1   9   5   4   1   8   4   8   5   4   9   4   3
   9   8   4   7   3   9   5   3   8   1   1   8   5   4  10   4
   3  10  12   5   2   1   1   7   4   6   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    45    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    43    45    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    43    44    45    46    39    40  
   35    36  
   36  
    0  
   38    41    42    43    44    45    46    39    40  
   41    42    43    45    39  
   40    41    43    45  
   45  
   42    43    44    45    46    47    48    49  
   43    44    45    46  
   44    45    46    47    48    49    50    58  
   45    46    47    48    49  
   46    47    48    49  
   47    48    49    50    51    52    55    58    59  
   48    49    50    58  
   49    50    58  
   50    51    52    53    54    55    56    58    59  
   51    52    53    54    55    58    59    57  
   52    53    54    58  
   53    54    55    56    58    57    60  
   54    55    57  
   55    56    58    59    57    60    61    62    63  
   56    58    59    57    60  
   58    59    57  
   60    61    62    63    64    65    66    58  
   59  
    0  
   61    62    63    64    65    66    67    68  
   62    63    64    65    66  
   63    64    65    66  
   64    65    66    67    72    80    68    69    70    71  
   65    66    67    68  
   66    67    68  
   67    72    73    74    78    80    68    69    70    71  
   72    73    74    75    76    78    79    80    68    69    70    71  
   69    70    71    72    80  
   70    71  
   71  
    0  
   73    74    75    76    77    78    80  
   74    75    76    80  
   75    76    77    78    79    80  
   76    77    78  
   77    78    79    80  
   78    79    80  
   79    80  
   80  
    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   0.800000   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   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   38   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   39   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   40   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   41   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   43   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   46   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.3000   0.1700  -0.445900   1.9050   1.6860   0.051222218  -2.220205820
   67   3.5500   0.0700   0.510900   2.0020   1.7750   0.001000000  -0.843144165
   68   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700  -0.447000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.155000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700   0.227000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.065000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700  -0.447000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.155000   1.3810   1.2100   0.030040813   0.268726247
   78   3.5500   0.0700   0.473000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.012000   1.3810   1.2100   0.030040813   0.268726247
   80   3.2500   0.1700  -0.678000   1.8650   1.6500   0.001000000  -0.511443539
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   337.000  1.449
   33    45   222.000  1.810
   33    39   320.000  1.410
   37    38   434.000  1.010
   37    41   490.000  1.335
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   340.000  1.090
   43    45   222.000  1.810
   43    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   317.000  1.510
   49    50   469.000  1.400
   49    58   469.000  1.400
   50    51   367.000  1.080
   50    52   469.000  1.400
   52    53   367.000  1.080
   52    54   469.000  1.400
   54    55   469.000  1.400
   54    57   450.000  1.364
   55    56   367.000  1.080
   55    58   469.000  1.400
   58    59   367.000  1.080
   57    60   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   382.000  1.448
   66    67   481.000  1.340
   66    68   382.000  1.448
   67    72   469.000  1.400
   67    80   483.000  1.339
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   367.000  1.080
   76    78   469.000  1.400
   78    79   367.000  1.080
   78    80   483.000  1.339
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   39    40   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    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    80.00000  108.62000
   29    33    45    75.00000  118.28000
   29    33    39    85.00000  114.68000
   33    37    38    38.00000  118.40000
   33    37    41    50.00000  121.90000
   33    45    43    62.00000   98.90000
   33    39    40    55.00000  108.50000
   37    41    42    80.00000  122.90000
   37    41    43    70.00000  116.60000
   41    37    38    35.00000  119.80000
   41    43    44    35.00000  109.50000
   41    43    45    70.00000  112.33000
   41    43    46    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    46    47    37.50000  110.70000
   43    46    48    37.50000  110.70000
   43    46    49    70.00000  112.17500
   45    33    37    80.00000  108.62000
   45    43    44    35.00000  109.50000
   46    43    44    37.50000  110.70000
   46    43    45    75.00000  111.63000
   46    49    50    70.00000  120.00000
   46    49    58    70.00000  120.00000
   48    46    47    33.00000  107.80000
   49    46    47    35.00000  109.50000
   49    46    48    35.00000  109.50000
   49    50    51    35.00000  120.00000
   49    50    52    63.00000  120.00000
   49    58    55    63.00000  120.00000
   49    58    59    35.00000  120.00000
   50    52    53    35.00000  120.00000
   50    52    54    63.00000  120.00000
   52    50    51    35.00000  120.00000
   52    54    55    63.00000  120.00000
   52    54    57    70.00000  120.00000
   54    52    53    35.00000  120.00000
   54    55    56    35.00000  120.00000
   54    55    58    63.00000  120.00000
   54    57    60    75.00000  111.00000
   55    58    59    35.00000  120.00000
   58    49    50    63.00000  120.00000
   58    55    56    35.00000  120.00000
   57    54    55    70.00000  120.00000
   57    60    61    35.00000  109.50000
   57    60    62    35.00000  109.50000
   57    60    63    50.00000  109.50000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    80.00000  111.61500
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    66    67    50.00000  120.00000
   63    66    68    50.00000  115.00000
   65    63    64    33.00000  107.80000
   66    63    64    35.00000  109.50000
   66    63    65    35.00000  109.50000
   66    67    72    70.00000  120.10000
   66    67    80    80.00000  117.25000
   66    68    69    35.00000  109.50000
   66    68    70    35.00000  109.50000
   66    68    71    35.00000  109.50000
   67    72    73    35.00000  120.00000
   67    72    74    63.00000  120.00000
   67    80    78    70.00000  117.00000
   72    74    75    35.00000  120.00000
   72    74    76    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    76    77    35.00000  120.00000
   74    76    78    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    78    79    35.00000  120.00000
   76    78    80    70.00000  124.00000
   78    76    77    35.00000  120.00000
   80    67    72    70.00000  124.00000
   80    78    79    35.00000  116.00000
   68    66    67    50.00000  120.00000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   39    33    37    95.00000  111.01700
   39    33    45    85.00000  114.68000
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    45   0.08500  1.0 1.0
   24    29    33    45  -0.53150 -1.0 2.0
   24    29    33    45   0.48050  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    41  -0.42300  1.0 1.0
   29    33    37    41  -0.07000 -1.0 2.0
   29    33    37    41   0.04150  1.0 3.0
   29    33    45    43   0.08500  1.0 1.0
   29    33    45    43  -0.53150 -1.0 2.0
   29    33    45    43   0.48050  1.0 3.0
   29    33    39    40   0.35600  1.0 1.0
   29    33    39    40  -0.10750 -1.0 2.0
   29    33    39    40  -0.54400  1.0 3.0
   33    37    41    42   3.04450 -1.0 2.0
   33    37   -41    43   1.49850  1.0 1.0
   33    37   -41    43   1.53950 -1.0 2.0
   37    33   -45    43   0.01700  1.0 1.0
   37    33   -45    43  -0.23550 -1.0 2.0
   37    33   -45    43   0.21350  1.0 3.0
   37    33    39    40   0.09550  1.0 1.0
   37    33    39    40   0.17350 -1.0 2.0
   37    33    39    40  -0.55000  1.0 3.0
   37    41    43    44   0.00000  1.0 1.0
   37    41   -43    45   0.00000  1.0 1.0
   37    41    43    46   1.39750  1.0 1.0
   37    41    43    46  -0.07950 -1.0 2.0
   37    41    43    46  -0.18750  1.0 3.0
   38    37    41    42   2.45000 -1.0 2.0
   38    37    41    43   2.45000 -1.0 2.0
   41    43   -45    33   0.01700  1.0 1.0
   41    43   -45    33  -0.23550 -1.0 2.0
   41    43   -45    33   0.21350  1.0 3.0
   41    43    46    47  -0.11250  1.0 3.0
   41    43    46    48  -0.11250  1.0 3.0
   41    43    46    49   0.56750  1.0 1.0
   41    43    46    49  -0.07550 -1.0 2.0
   41    43    46    49   0.20000  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   0.30150 -1.0 2.0
   42    41    43    46   0.30150 -1.0 2.0
   43    46    49    50   0.04150 -1.0 2.0
   43    46    49    58   0.04150 -1.0 2.0
   44    43    45    33   0.32350  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    48   0.15000  1.0 3.0
   44    43    46    49   0.43200  1.0 3.0
   45    33    37    38   0.00000  1.0 1.0
   45    33   -37    41  -0.42300  1.0 1.0
   45    33   -37    41  -0.07000 -1.0 2.0
   45    33   -37    41   0.04150  1.0 3.0
   45    33    39    40   0.35600  1.0 1.0
   45    33    39    40  -0.10750 -1.0 2.0
   45    33    39    40  -0.54400  1.0 3.0
   45    43    46    47   0.15000  1.0 3.0
   45    43    46    48   0.15000  1.0 3.0
   45    43    46    49   0.56750  1.0 1.0
   45    43    46    49  -0.07550 -1.0 2.0
   45    43    46    49   0.20000  1.0 3.0
   46    43    45    33   0.01700  1.0 1.0
   46    43    45    33  -0.23550 -1.0 2.0
   46    43    45    33   0.21350  1.0 3.0
   46    49    50    51   3.62500 -1.0 2.0
   46    49    50    52   3.62500 -1.0 2.0
   46    49    58    55   3.62500 -1.0 2.0
   46    49    58    59   3.62500 -1.0 2.0
   47    46    49    50   0.00000  1.0 1.0
   47    46    49    58   0.00000  1.0 1.0
   48    46    49    50   0.00000  1.0 1.0
   48    46    49    58   0.00000  1.0 1.0
   49    50    52    53   3.62500 -1.0 2.0
   49    50    52    54   3.62500 -1.0 2.0
   50    49    58    55   3.62500 -1.0 2.0
   50    49    58    59   3.62500 -1.0 2.0
   50    52   -54    55   3.62500 -1.0 2.0
   50    52    54    57   3.62500 -1.0 2.0
   51    50    52    53   3.62500 -1.0 2.0
   51    50    52    54   3.62500 -1.0 2.0
   52    54    55    56   3.62500 -1.0 2.0
   52    54    55    58   3.62500 -1.0 2.0
   52    54    57    60   1.63200 -1.0 2.0
   53    52    54    55   3.62500 -1.0 2.0
   53    52    54    57   3.62500 -1.0 2.0
   54    55   -58    49   3.62500 -1.0 2.0
   54    55    58    59   3.62500 -1.0 2.0
   54    57    60    61   0.08050  1.0 3.0
   54    57    60    62   0.08050  1.0 3.0
   54    57    60    63  -0.32850  1.0 1.0
   54    57    60    63  -0.35800 -1.0 2.0
   54    57    60    63   0.33950  1.0 3.0
   55    54    57    60   1.63200 -1.0 2.0
   56    55    58    49   3.62500 -1.0 2.0
   56    55    58    59   3.62500 -1.0 2.0
   58    49    50    51   3.62500 -1.0 2.0
   58    49   -50    52   3.62500 -1.0 2.0
   57    54    55    56   3.62500 -1.0 2.0
   57    54    55    58   3.62500 -1.0 2.0
   57    60    63    64   0.23400  1.0 3.0
   57    60    63    65   0.23400  1.0 3.0
   57    60    63    66   2.03850  1.0 1.0
   57    60    63    66  -0.40600 -1.0 2.0
   60    63    66    67  -0.12500  1.0 1.0
   60    63    66    67  -0.12500 -1.0 2.0
   60    63    66    67   0.25000  1.0 3.0
   60    63    66    68   0.00000  1.0 1.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    66   0.22950  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    65   0.15000  1.0 3.0
   62    60    63    66   0.22950  1.0 3.0
   63    66    67    72  -1.00000  1.0 1.0
   63    66    67    72   1.25000 -1.0 2.0
   63    66    67    80  -1.10000  1.0 1.0
   63    66    67    80   1.25000 -1.0 2.0
   63    66    68    69   0.00000  1.0 1.0
   63    66    68    70   0.00000  1.0 1.0
   63    66    68    71   0.00000  1.0 1.0
   64    63    66    67   0.00000  1.0 1.0
   64    63    66    68   0.00000  1.0 1.0
   65    63    66    67   0.00000  1.0 1.0
   65    63    66    68   0.00000  1.0 1.0
   66    67    72    73   3.62500 -1.0 2.0
   66    67    72    74   3.62500 -1.0 2.0
   66    67    80    78   3.62500 -1.0 2.0
   67    66    68    69   0.00000  1.0 1.0
   67    66    68    70   0.00000  1.0 1.0
   67    66    68    71   0.00000  1.0 1.0
   67    72    74    75   3.62500 -1.0 2.0
   67    72    74    76   3.62500 -1.0 2.0
   72    67    80    78   3.62500 -1.0 2.0
   72    74    76    77   3.62500 -1.0 2.0
   72    74   -76    78   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    76    78    79   3.62500 -1.0 2.0
   74    76    78    80   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    78   3.62500 -1.0 2.0
   76    78   -80    67   3.62500 -1.0 2.0
   77    76    78    79   3.62500 -1.0 2.0
   77    76    78    80   3.62500 -1.0 2.0
   79    78    80    67   3.62500 -1.0 2.0
   80    67    72    73   3.62500 -1.0 2.0
   80    67   -72    74   3.62500 -1.0 2.0
   68    66    67    72  -1.00000  1.0 1.0
   68    66    67    72   1.25000 -1.0 2.0
   68    66    67    80  -1.10000  1.0 1.0
   68    66    67    80   1.25000 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    41  -5.15550  1.0 1.0
   39    33    37    41  -0.87850 -1.0 2.0
   39    33    45    43   0.13850  1.0 1.0
   39    33    45    43  -1.34450 -1.0 2.0
   39    33    45    43   0.57400  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
   38    41    37    33   1.00000 -1.0 2.0
   37    43    41    42  10.50000 -1.0 2.0
   50    58    49    46   4.00000 -1.0 2.0
   52    51    50    49   1.10000 -1.0 2.0
   54    53    52    50   1.10000 -1.0 2.0
   55    57    54    52   4.00000 -1.0 2.0
   58    56    55    54   1.10000 -1.0 2.0
   55    59    58    49   1.10000 -1.0 2.0
   68    67    66    63   1.00000 -1.0 2.0
   72    80    67    66   4.00000 -1.0 2.0
   74    73    72    67   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   78    77    76    74   1.10000 -1.0 2.0
   80    79    78    76   1.10000 -1.0 2.0
END
