* LIGAND DATABASE FILE (OPLS2005)
*
001      78    82    151    240     440
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02036   106.53134    -9.98251
    3     1 S   H    _H1_     3     1.02063    53.47537    91.34808
    4     1 S   H    _H2_     4     1.02140    58.67407  -112.14362
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    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     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08491   110.67486    58.67070
   26    24 S   HC   HB22    34     1.08491   110.07674   179.26272
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C20    36     1.90041    95.32946  -178.10731
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   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   CM   _C10    37     1.52255   101.96773   -60.01520
   38    37 S   HC   _H28    38     1.08888   117.45609    89.35021
   39    33 S   CT   _C18    56     1.55627   109.38534    62.18563
   40    39 S   HC   _H38    57     1.09943   109.88119   -59.86126
   41    37 S   CMA  _C12    39     1.35343   123.11291   -89.01807
   42    41 S   OM   _O21    40     1.26113   130.14652   179.93147
   43    39 S   NT   _N20    58     1.48195   115.33570   178.98780
   44    41 S   CM   _C13    41     1.47817   116.64884     1.14347
   45    43 S   CT   _C16    59     1.46336   114.07385   -53.00385
   46    45 S   HC   _H34    60     1.09694   108.95489   -77.00436
   47    45 S   HC   _H35    61     1.09821   110.69503   169.43232
   48    43 S   CT   _C21    65     1.45797   114.51163    77.92193
   49    48 S   HC   _H39    66     1.09342   110.11507    48.10370
   50    48 S   HC   _H40    67     1.09376   110.22394   -71.93147
   51    48 S   HC   _H41    68     1.09305   110.24210   168.10413
   52    44 S   CM   _C11    42     1.34742   121.98651   -18.35875
   53    52 S   HC   _H29    43     1.08512   117.77707  -178.02167
   54    58 S   CT   _C15    62     1.56638   109.66589  -175.24836
   55    54 S   HC   _H32    63     1.09816   110.65817   -68.49056
   56    54 S   HC   _H33    64     1.09929   110.22531   175.25476
   57    44 S   OS   _O24    74     1.38851   118.99866   161.97746
   58    33 S   CT   _C19    44     1.57181   112.33054  -179.43525
   59    57 S   CT   _C22    75     1.40401   112.29764   -90.24103
   60    59 S   HC   _H42    76     1.09284   109.49799   179.93744
   61    59 S   HC   _H43    77     1.09289   109.49463    59.15649
   62    59 S   HC   _H44    78     1.09253   108.97641   -60.45946
   63    58 S   CA   _C7_    45     1.54532   109.85784   -58.37256
   64    63 S   CA   _C5_    46     1.40902   121.72293   153.48152
   65    64 S   HA   _H27    47     1.08341   122.25300    -0.56648
   66    64 S   CA   _C9_    48     1.38143   118.92676   178.38699
   67    66 S   CA   _C8_    49     1.37186   121.95134    -0.88027
   68    67 S   CA   _C4_    50     1.37635   121.50475    -0.56958
   69    68 S   HA   _H26    51     1.08580   120.61045  -179.18675
   70    67 S   OS   _O22    69     1.36014   112.44541  -179.89721
   71    63 S   CA   _C6_    52     1.43114   119.53800   -30.66494
   72    70 S   CO   _C17    70     1.44171   101.00625     0.01978
   73    72 S   HC   _H36    71     1.09623   108.68871   121.09244
   74    72 S   HC   _H37    72     1.09532   108.70113  -120.63136
   75    71 S   CT   _C14    53     1.51861   122.21913     1.57744
   76    75 S   HC   _H30    54     1.09830   107.69632   117.27984
   77    75 S   HC   _H31    55     1.09838   109.08819  -128.67937
   78    66 S   OS   _O23    73     1.36117   125.73331   179.54458
  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  12   5   4   3
  22   2   1   1  13   5  19   8   7   3  15  10  13   6   5   5
   2   1   1  10   4   6   3   2   5   7   3   2   1   1  11   9
   4   9   9   8   3   5   3   3   2   1   2   1   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    58    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    52    58    63    75    39    40    43    54  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    44    52    53    58    63    64    71    75    76    77    39    40    43    45    54    55    56    48  
   35    36  
   36  
    0  
   38    41    42    44    52    58    63    75    39    40    43    54    57  
   41    42    44    58    39  
   40    43    45    46    47    54    48    49    50    51    41    52    58    63    68    71    75    76    77  
   43    45    48    58    71    75    76    77  
   42    44    52    53    58    57    59  
   44    52    57  
   45    46    47    54    55    56    48    49    50    51    58    71    75    76    77  
   52    53    58    63    54    57    59    60    61    62  
   46    47    54    55    56    48    49    50    51    52    58    63    75  
   47    54    55    56    48    58  
   54    55    56    48    58  
   49    50    51    54    75  
   50    51  
   51  
    0  
   53    58    63    64    71    54    55    56    57    59  
   58    63    54    57  
   55    56    58    63    64    71  
   56    58    63  
   58    63  
   59    60    61    62    58  
   63    64    65    66    68    71    75  
   60    61    62  
   61    62  
   62  
    0  
   64    65    66    67    68    69    71    75    76    77    78  
   65    66    67    68    71    75    70    72    78  
   66    67    71    78  
   67    68    69    71    70    72    73    74    78  
   68    69    71    75    70    72    73    74    78  
   69    71    75    76    77    70    72    78  
   71    75    70  
   72    73    74    78    71  
   75    76    77  
   73    74    78  
   74    78  
   78  
   76    77  
   77  
    0  
    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   0.167500   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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   44   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   58   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
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   317.000  1.510
   33    58   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    41   465.000  1.376
   41    42   745.000  1.250
   41    44   465.000  1.376
   44    52   549.000  1.340
   44    57   440.000  1.360
   52    53   340.000  1.080
   52    58   317.000  1.510
   58    63   317.000  1.510
   58    54   268.000  1.529
   63    64   469.000  1.400
   63    71   469.000  1.400
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    67   469.000  1.400
   66    78   450.000  1.364
   67    68   469.000  1.400
   67    70   450.000  1.364
   68    69   367.000  1.080
   68    71   469.000  1.400
   71    75   317.000  1.510
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    39   268.000  1.529
   39    40   340.000  1.090
   39    43   382.000  1.448
   43    45   382.000  1.448
   43    48   382.000  1.448
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   70    72   320.000  1.380
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    78   320.000  1.380
   57    59   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    58    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    58    52    70.00000  112.02700
   33    58    63    70.00000  112.17500
   33    58    54    58.35000  112.70000
   33    39    75    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    56.20000  109.47000
   37    41    42    65.00000  137.10300
   37    41    44    70.00000  123.01800
   41    37    38    40.00000  120.50800
   41    44    52    70.00000  117.34000
   41    44    57    80.00000  120.01400
   44    41    42    65.00000  137.10300
   44    52    53    35.00000  120.00000
   44    52    58    70.00000  124.00000
   44    57    59    90.00000  111.18400
   52    58    63    70.00000  112.99600
   52    58    54    70.00000  112.02700
   58    33    37    70.00000  112.02700
   58    52    53    35.00000  117.00000
   58    63    64    70.00000  120.00000
   58    63    71    70.00000  120.00000
   58    54    45    58.35000  112.70000
   58    54    55    37.50000  110.70000
   58    54    56    37.50000  110.70000
   63    64    65    35.00000  120.00000
   63    64    66    63.00000  120.00000
   63    71    68    63.00000  120.00000
   63    71    75    70.00000  120.00000
   64    66    67    63.00000  120.00000
   64    66    78    70.00000  120.00000
   66    64    65    35.00000  120.00000
   66    67    68    63.00000  120.00000
   66    67    70    70.00000  120.00000
   66    78    72   100.00000  112.36700
   67    68    69    35.00000  120.00000
   67    68    71    63.00000  120.00000
   67    70    72   100.00000  112.36700
   68    71    75    70.00000  120.00000
   71    63    64    63.00000  120.00000
   71    68    69    35.00000  120.00000
   71    75    76    35.00000  109.50000
   71    75    77    35.00000  109.50000
   71    75    39    70.00000  112.17500
   75    39    40    37.50000  110.70000
   75    39    43    56.20000  109.47000
   77    75    76    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    58    58.35000  112.70000
   39    75    76    37.50000  110.70000
   39    75    77    37.50000  110.70000
   39    43    45    51.80000  107.20000
   39    43    48    51.80000  107.20000
   43    39    40    35.00000  109.50000
   43    45    46    35.00000  109.50000
   43    45    47    35.00000  109.50000
   43    45    54    56.20000  109.47000
   43    48    49    35.00000  109.50000
   43    48    50    35.00000  109.50000
   43    48    51    35.00000  109.50000
   45    54    55    37.50000  110.70000
   45    54    56    37.50000  110.70000
   47    45    46    33.00000  107.80000
   54    58    63    70.00000  112.17500
   54    45    46    37.50000  110.70000
   54    45    47    37.50000  110.70000
   56    54    55    33.00000  107.80000
   48    43    45    51.80000  107.20000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   70    67    68    70.00000  120.00000
   70    72    73    35.00000  109.50000
   70    72    74    35.00000  109.50000
   70    72    78    92.60000  111.55000
   74    72    73    33.00000  109.50000
   78    66    67    70.00000  120.00000
   78    72    73    35.00000  109.50000
   78    72    74    35.00000  109.50000
   57    44    52    80.00000  120.01400
   57    59    60    35.00000  109.50000
   57    59    61    35.00000  109.50000
   57    59    62    35.00000  109.50000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   0.21350  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    37    38   0.00000  1.0 1.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    58    52   0.56750  1.0 1.0
   29    33    58    52  -0.07550 -1.0 2.0
   29    33    58    52   0.20000  1.0 3.0
   29    33    58    63   0.56750  1.0 1.0
   29    33    58    63  -0.07550 -1.0 2.0
   29    33    58    63   0.20000  1.0 3.0
   29    33    58    54   0.44750  1.0 1.0
   29    33    58    54  -0.17800 -1.0 2.0
   29    33    58    54   0.20200  1.0 3.0
   29    33    39    75   0.44750  1.0 1.0
   29    33    39    75  -0.17800 -1.0 2.0
   29    33    39    75   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    44   7.00000 -1.0 2.0
   33    58    63    64   0.04150 -1.0 2.0
   33    58    63    71   0.04150 -1.0 2.0
   33    58    54    45   0.56750  1.0 1.0
   33    58    54    45  -0.07550 -1.0 2.0
   33    58    54    45   0.20000  1.0 3.0
   33    58    54    55   0.15000  1.0 3.0
   33    58    54    56   0.15000  1.0 3.0
   33    39   -43    45   0.23450  1.0 1.0
   33    39   -43    45   0.02050 -1.0 2.0
   33    39   -43    45   0.25250  1.0 3.0
   33    39    43    48   0.58650  1.0 1.0
   33    39    43    48   0.12600 -1.0 2.0
   33    39    43    48   0.33350  1.0 3.0
   37    33    58    52   0.31000  1.0 1.0
   37    33    58    52   0.14700 -1.0 2.0
   37    33    58    52   0.07550  1.0 3.0
   37    33    58    63   0.21200  1.0 1.0
   37    33    58    63   0.16900 -1.0 2.0
   37    33    58    63  -1.15100  1.0 3.0
   37    33    58    54   0.34400  1.0 1.0
   37    33    58    54   0.09450 -1.0 2.0
   37    33    58    54   0.11100  1.0 3.0
   37    33    39    75   0.34400  1.0 1.0
   37    33    39    75   0.09450 -1.0 2.0
   37    33    39    75   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    43   0.59950  1.0 1.0
   37    33    39    43  -0.21400 -1.0 2.0
   37    33    39    43   0.56200  1.0 3.0
   37    41   -44    52   7.00000 -1.0 2.0
   37    41    44    57   7.00000 -1.0 2.0
   38    37    41    42   7.00000 -1.0 2.0
   38    37    41    44   7.00000 -1.0 2.0
   41    44    52    53   7.00000 -1.0 2.0
   41    44    52    58   7.00000 -1.0 2.0
   41    44    57    59  -2.26850  1.0 1.0
   41    44    57    59   3.39050 -1.0 2.0
   42    41    44    52   7.00000 -1.0 2.0
   42    41    44    57   7.00000 -1.0 2.0
   44    52   -58    33   0.09850  1.0 1.0
   44    52   -58    33   0.15250 -1.0 2.0
   44    52   -58    33  -0.50650  1.0 3.0
   44    52    58    63   1.44450  1.0 1.0
   44    52    58    63   0.06600 -1.0 2.0
   44    52    58    63   0.29250  1.0 3.0
   44    52    58    54   0.09850  1.0 1.0
   44    52    58    54   0.15250 -1.0 2.0
   44    52    58    54  -0.50650  1.0 3.0
   44    57    59    60   0.08050  1.0 3.0
   44    57    59    61   0.08050  1.0 3.0
   44    57    59    62   0.08050  1.0 3.0
   52    44    57    59  -2.26850  1.0 1.0
   52    44    57    59   3.39050 -1.0 2.0
   52    58    63    64   0.18050 -1.0 2.0
   52    58    63    71   0.18050 -1.0 2.0
   52    58    54    45   0.34400  1.0 1.0
   52    58    54    45   0.09450 -1.0 2.0
   52    58    54    45   0.11100  1.0 3.0
   52    58    54    55   0.15000  1.0 3.0
   52    58    54    56   0.15000  1.0 3.0
   53    52    58    33   0.00000  1.0 1.0
   53    52    58    63   0.00000  1.0 1.0
   53    52    58    54   0.00000  1.0 1.0
   58    33    37    38   0.00000  1.0 1.0
   58    33   -37    41   0.09850  1.0 1.0
   58    33   -37    41   0.15250 -1.0 2.0
   58    33   -37    41  -0.50650  1.0 3.0
   58    33    39    75   0.56750  1.0 1.0
   58    33    39    75  -0.07550 -1.0 2.0
   58    33    39    75   0.20000  1.0 3.0
   58    33    39    40   0.15000  1.0 3.0
   58    33    39    43   1.53400  1.0 1.0
   58    33    39    43  -0.09950 -1.0 2.0
   58    33    39    43   0.05700  1.0 3.0
   58    63    64    65   3.62500 -1.0 2.0
   58    63    64    66   3.62500 -1.0 2.0
   58    63    71    68   3.62500 -1.0 2.0
   58    63   -71    75   3.62500 -1.0 2.0
   63    58    54    45  -0.03700  1.0 1.0
   63    58    54    45   0.37200 -1.0 2.0
   63    58    54    45  -0.47300  1.0 3.0
   63    58    54    55   0.43200  1.0 3.0
   63    58    54    56   0.43200  1.0 3.0
   63    64    66    67   3.62500 -1.0 2.0
   63    64    66    78   3.62500 -1.0 2.0
   63    71    75    76   0.00000  1.0 1.0
   63    71    75    77   0.00000  1.0 1.0
   63    71    75    39   0.04150 -1.0 2.0
   64    63    71    68   3.62500 -1.0 2.0
   64    63    71    75   3.62500 -1.0 2.0
   64    66   -67    68   3.62500 -1.0 2.0
   64    66    67    70   3.62500 -1.0 2.0
   64    66    78    72   1.63200 -1.0 2.0
   65    64    66    67   3.62500 -1.0 2.0
   65    64    66    78   3.62500 -1.0 2.0
   66    67    68    69   3.62500 -1.0 2.0
   66    67    68    71   3.62500 -1.0 2.0
   66    67   -70    72   1.63200 -1.0 2.0
   67    66   -78    72   1.63200 -1.0 2.0
   67    68   -71    63   3.62500 -1.0 2.0
   67    68    71    75   3.62500 -1.0 2.0
   67    70    72    73   0.08050  1.0 3.0
   67    70    72    74   0.08050  1.0 3.0
   67    70   -72    78  -0.25600  1.0 1.0
   67    70   -72    78  -0.40050 -1.0 2.0
   67    70   -72    78   0.34700  1.0 3.0
   68    67    70    72   1.63200 -1.0 2.0
   68    71    75    76   0.00000  1.0 1.0
   68    71    75    77   0.00000  1.0 1.0
   68    71    75    39   0.04150 -1.0 2.0
   69    68    71    63   3.62500 -1.0 2.0
   69    68    71    75   3.62500 -1.0 2.0
   71    63    64    65   3.62500 -1.0 2.0
   71    63   -64    66   3.62500 -1.0 2.0
   71    75   -39    33  -0.03700  1.0 1.0
   71    75   -39    33   0.37200 -1.0 2.0
   71    75   -39    33  -0.47300  1.0 3.0
   71    75    39    40   0.43200  1.0 3.0
   71    75    39    43   0.83750  1.0 1.0
   71    75    39    43   0.32200 -1.0 2.0
   71    75    39    43   0.70600  1.0 3.0
   75    39    43    45   0.23450  1.0 1.0
   75    39    43    45   0.02050 -1.0 2.0
   75    39    43    45   0.25250  1.0 3.0
   75    39    43    48   0.58650  1.0 1.0
   75    39    43    48   0.12600 -1.0 2.0
   75    39    43    48   0.33350  1.0 3.0
   76    75    39    33   0.15000  1.0 3.0
   76    75    39    40   0.15000  1.0 3.0
   76    75    39    43   0.15000  1.0 3.0
   77    75    39    33   0.15000  1.0 3.0
   77    75    39    40   0.15000  1.0 3.0
   77    75    39    43   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    41   0.09850  1.0 1.0
   39    33    37    41   0.15250 -1.0 2.0
   39    33    37    41  -0.50650  1.0 3.0
   39    33    58    52   0.34400  1.0 1.0
   39    33    58    52   0.09450 -1.0 2.0
   39    33    58    52   0.11100  1.0 3.0
   39    33   -58    63  -0.03700  1.0 1.0
   39    33   -58    63   0.37200 -1.0 2.0
   39    33   -58    63  -0.47300  1.0 3.0
   39    33    58    54   0.56750  1.0 1.0
   39    33    58    54  -0.07550 -1.0 2.0
   39    33    58    54   0.20000  1.0 3.0
   39    43    45    46   0.28000  1.0 3.0
   39    43    45    47   0.28000  1.0 3.0
   39    43   -45    54   0.23450  1.0 1.0
   39    43   -45    54   0.02050 -1.0 2.0
   39    43   -45    54   0.25250  1.0 3.0
   39    43    48    49   0.28000  1.0 3.0
   39    43    48    50   0.28000  1.0 3.0
   39    43    48    51   0.28000  1.0 3.0
   40    39    43    45   0.28000  1.0 3.0
   40    39    43    48   0.28000  1.0 3.0
   43    45   -54    58   1.53400  1.0 1.0
   43    45   -54    58  -0.09950 -1.0 2.0
   43    45   -54    58   0.05700  1.0 3.0
   43    45    54    55   0.15000  1.0 3.0
   43    45    54    56   0.15000  1.0 3.0
   45    43    48    49   0.28000  1.0 3.0
   45    43    48    50   0.28000  1.0 3.0
   45    43    48    51   0.28000  1.0 3.0
   46    45    54    58   0.15000  1.0 3.0
   46    45    54    55   0.15000  1.0 3.0
   46    45    54    56   0.15000  1.0 3.0
   47    45    54    58   0.15000  1.0 3.0
   47    45    54    55   0.15000  1.0 3.0
   47    45    54    56   0.15000  1.0 3.0
   54    58    63    64   0.04150 -1.0 2.0
   54    58    63    71   0.04150 -1.0 2.0
   48    43    45    46   0.28000  1.0 3.0
   48    43    45    47   0.28000  1.0 3.0
   48    43    45    54   0.58650  1.0 1.0
   48    43    45    54   0.12600 -1.0 2.0
   48    43    45    54   0.33350  1.0 3.0
   70    67    68    69   3.62500 -1.0 2.0
   70    67    68    71   3.62500 -1.0 2.0
   70    72   -78    66  -0.25600  1.0 1.0
   70    72   -78    66  -0.40050 -1.0 2.0
   70    72   -78    66   0.34700  1.0 3.0
   73    72    78    66   0.08050  1.0 3.0
   74    72    78    66   0.08050  1.0 3.0
   78    66    67    68   3.62500 -1.0 2.0
   78    66   -67    70   3.62500 -1.0 2.0
   57    44    52    53   7.00000 -1.0 2.0
   57    44    52    58   7.00000 -1.0 2.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   33    38    37    41   1.10000 -1.0 2.0
   44    42    41    37   1.10000 -1.0 2.0
   41    57    44    52   1.10000 -1.0 2.0
   58    53    52    44   1.10000 -1.0 2.0
   64    71    63    58   4.00000 -1.0 2.0
   66    65    64    63   1.10000 -1.0 2.0
   67    78    66    64   4.00000 -1.0 2.0
   68    70    67    66   4.00000 -1.0 2.0
   71    69    68    67   1.10000 -1.0 2.0
   68    75    71    63   4.00000 -1.0 2.0
END
