* LIGAND DATABASE FILE (OPLS2005)
*
001      78    82    147    232     421
    1     0 S   NP   _N1_     1    28.77591    96.85311   -25.01121
    2     1 S   H    _HN1     2     1.02951    66.93620    15.77367
    3     1 S   H    _H1_     3     1.02825    40.68135  -174.17705
    4     1 S   H    _H2_     4     1.02782   114.42709   -84.76381
    5     1 S   CT   _CA1     5     1.50124   131.29300   113.22539
    6     5 S   HC   _HA1     6     1.09575   105.18003   100.90080
    7     5 S   CO3  _C1_     7     1.53777   112.46431   -19.28354
    8     7 S   O2Z  _O11     8     1.26371   114.99527   -42.06364
    9     7 S   O2Z  _O12     9     1.26241   114.94268   137.00193
   10     5 S   CT   _CB1    10     1.53075   107.40533  -141.14983
   11    10 S   HC   HB11    11     1.09834   109.31218   -49.89415
   12    10 S   HC   HB12    12     1.09812   110.46417    66.69469
   13    10 S   CT   _CG1    13     1.52995   112.64145  -170.89092
   14    13 S   HC   HG11    14     1.09582   110.62189   -66.52286
   15    13 S   HC   HG12    15     1.09672   109.78601    52.71255
   16    13 S   C    _CD1    16     1.51812   112.21350   173.11285
   17    16 S   O    _OE1    17     1.22734   123.28163     7.09127
   18    16 S   N    _N2_    18     1.38660   111.68401  -172.88385
   19    18 S   H    _HN2    19     1.01576   118.91354     1.50454
   20    18 S   CT1  _CA2    20     1.46193   123.38489   177.12261
   21    20 S   HC   _HA2    21     1.09735   109.37651     3.15026
   22    20 S   C    _C2_    22     1.53567   108.57152  -112.33726
   23    22 S   O    _O2_    23     1.23061   122.29283  -147.41418
   24    20 S   CT   _CB2    32     1.53313   111.63608   125.21035
   25    24 S   HC   HB21    33     1.09586   110.10504    56.15100
   26    24 S   HC   HB22    34     1.09455   109.91870   175.22767
   27    22 S   N    _N3_    24     1.38332   113.71218    39.99256
   28    27 S   H    _HN3    25     1.01581   119.59682    -3.25979
   29    24 S   S    _SG2    35     1.82805   111.53192   -64.79591
   30    27 S   CT   _CA3    26     1.45288   123.20678   177.15435
   31    30 S   HC   HA31    27     1.09549   107.50510   -64.64732
   32    30 S   HC   HA32    28     1.09557   107.98855    51.78932
   33    29 S   CT   _C23    36     1.85022    99.68662   173.89796
   34    33 S   HC   _H3_    37     1.09698   105.76412   -48.30948
   35    30 S   CO3  _C3_    29     1.52962   114.08667   173.78666
   36    35 S   O2Z  _O31    30     1.26377   116.06925    -0.81036
   37    35 S   O2Z  _O32    31     1.26430   114.41052   179.25244
   38    33 S   CA   _C11    38     1.52370   109.92744    70.34844
   39    33 S   CT   _C20    52     1.55084   111.36278  -165.59514
   40    39 S   HC   _H40    53     1.09515   110.99674   -59.91625
   41    38 S   CA   _C5_    39     1.41531   119.51903  -115.70632
   42    41 S   HA   _H29    40     1.08788   120.07137     1.25039
   43    39 S   CO4  _C16    54     1.51665   112.82869    61.27760
   44    43 S   O    _O21    55     1.22167   125.75672   -77.54100
   45    41 S   CA   _C7_    41     1.39837   121.20099  -178.17329
   46    45 S   HA   _H31    42     1.08412   120.84400   179.61948
   47    43 S   OS   _O26    56     1.36454   110.64995   102.79320
   48    45 S   CA   _C13    43     1.37804   117.78986    -0.06561
   49    47 S   CT   _C17    57     1.42523   109.83840    -1.67538
   50    49 S   HC   _H34    58     1.09564   108.08286   -98.50457
   51    49 S   HC   _H35    59     1.09402   109.54543   143.68214
   52    48 S   CA   _C15    44     1.37365   121.68652    -0.45542
   53    39 S   CT   _C21    60     1.54138   112.86575   175.03260
   54    53 S   HC   _H41    61     1.09461   113.45713    25.36986
   55    38 S   CA   _C9_    45     1.40740   121.36777    65.50768
   56    55 S   HA   _H33    46     1.08508   121.52808    -1.39409
   57    52 S   OS   _O25    47     1.36076   112.42394  -179.96044
   58    53 S   CT   _C22    62     1.54492   112.33735   148.61326
   59    58 S   HC   _H42    63     1.09802   109.96677   162.64744
   60    58 S   HC   _H43    64     1.09736   111.00756    45.96897
   61    57 S   CO   _C19    48     1.44178   100.92830    -0.74703
   62    61 S   HC   _H38    49     1.09620   108.67172  -119.82321
   63    61 S   HC   _H39    50     1.09597   108.66808   122.00721
   64    58 S   CA   _C10    65     1.51271   112.03790   -77.79086
   65    48 S   OS   _O23    51     1.36057   125.97684   179.40884
   66    64 S   CA   _C4_    66     1.41471   119.87668   -73.45874
   67    66 S   HA   _H28    67     1.08787   119.91983    -1.46019
   68    66 S   CA   _C6_    68     1.39724   121.14590   177.93285
   69    68 S   HA   _H30    69     1.08392   120.92205  -179.47140
   70    68 S   CA   _C12    70     1.37768   117.63047    -0.04846
   71    70 S   CA   _C14    71     1.37505   121.73154     0.39664
   72    64 S   CA   _C8_    72     1.40289   120.57929   105.02709
   73    72 S   HA   _H32    73     1.08491   121.34930     1.28786
   74    71 S   OS   _O24    74     1.36094   112.31715  -179.59846
   75    74 S   CO   _C18    75     1.44224   100.96438     0.56579
   76    75 S   HC   _H36    76     1.09600   108.66032  -121.86531
   77    75 S   HC   _H37    77     1.09618   108.66635   119.97329
   78    70 S   OS   _O22    78     1.36054   125.86528  -179.13272
  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
  17   7   2   1   1  13  15   7   8   4   8   3   7   3   6   8
   8   4   3   7   7   4   4   1   4   9   4   3   3   2   1   9
   1   8   4   7   3   8   7   4   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    55    39    40    43    53  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    52    55    56    39    40    43    44    47    49    53    54    58  
   38    41    55    39    40    43    53  
   36    37  
   37  
    0  
   41    42    45    46    48    52    55    56    57    39    40    43    53  
   40    43    44    47    49    50    51    53    54    58    59    60    64    41    55  
   43    44    47    49    53    54    58  
   42    45    46    48    52    55    56    65  
   45    46    48    55  
   44    47    49    50    51    53    54    58  
   47    49    53  
   46    48    52    55    57    61    65  
   48    52    65  
   49    50    51    53    54    58  
   52    55    56    57    61    62    63    65  
   50    51    53    54    58    59    60    64  
   51    53    54    58  
   53    54    58  
   55    56    57    61    62    63    65  
   54    58    59    60    64    66    72  
   58    59    60    64  
   56    57    61    65  
   57  
   61    62    63    65  
   59    60    64    66    67    68    71    72    73  
   60    64    66    72  
   64    66    72  
   62    63    65  
   63    65  
   65  
   66    67    68    69    70    71    72    73    74  
    0  
   67    68    69    70    71    72    73    78  
   68    69    70    72  
   69    70    71    72    74    75    78  
   70    71    78  
   71    72    73    74    75    76    77    78  
   72    73    74    75    76    77    78  
   73    74    75    78  
   74  
   75    76    77    78  
   76    77    78  
   77    78  
   78  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.100000   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    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  1.510
   33    39   268.000  1.529
   38    41   469.000  1.400
   38    55   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    52   469.000  1.400
   48    65   450.000  1.364
   52    55   469.000  1.400
   52    57   450.000  1.364
   55    56   367.000  1.080
   57    61   320.000  1.380
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    65   320.000  1.380
   39    40   340.000  1.090
   39    43   317.000  1.522
   39    53   268.000  1.529
   43    44   570.000  1.229
   43    47   214.000  1.327
   47    49   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    53   268.000  1.529
   53    54   340.000  1.090
   53    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    64   317.000  1.510
   64    66   469.000  1.400
   64    72   469.000  1.400
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   469.000  1.400
   70    78   450.000  1.364
   71    72   469.000  1.400
   71    74   450.000  1.364
   72    73   367.000  1.080
   74    75   320.000  1.380
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   320.000  1.380
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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  120.00000
   33    38    55    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    43    63.00000  111.10000
   33    39    53    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    55    52    63.00000  120.00000
   38    55    56    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    48    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    52    63.00000  120.00000
   45    48    65    70.00000  120.00000
   48    45    46    35.00000  120.00000
   48    52    55    63.00000  120.00000
   48    52    57    70.00000  120.00000
   48    65    61   100.00000  112.36700
   52    55    56    35.00000  120.00000
   52    57    61   100.00000  112.36700
   55    38    41    63.00000  120.00000
   57    52    55    70.00000  120.00000
   57    61    62    35.00000  109.50000
   57    61    63    35.00000  109.50000
   57    61    65    92.60000  111.55000
   63    61    62    33.00000  109.50000
   65    48    52    70.00000  120.00000
   65    61    62    35.00000  109.50000
   65    61    63    35.00000  109.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    43    44    80.00000  120.40000
   39    43    47    81.00000  111.40000
   39    53    49    58.35000  112.70000
   39    53    54    37.50000  110.70000
   39    53    58    58.35000  112.70000
   43    39    40    35.00000  109.50000
   43    47    49    83.00000  116.90000
   47    43    44    83.00000  123.40000
   47    49    50    35.00000  109.50000
   47    49    51    35.00000  109.50000
   47    49    53    50.00000  109.50000
   49    53    54    37.50000  110.70000
   49    53    58    58.35000  112.70000
   51    49    50    33.00000  107.80000
   53    39    40    37.50000  110.70000
   53    39    43    63.00000  111.10000
   53    49    50    37.50000  110.70000
   53    49    51    37.50000  110.70000
   53    58    59    37.50000  110.70000
   53    58    60    37.50000  110.70000
   53    58    64    70.00000  112.17500
   58    53    54    37.50000  110.70000
   58    64    66    70.00000  120.00000
   58    64    72    70.00000  120.00000
   60    58    59    33.00000  107.80000
   64    58    59    35.00000  109.50000
   64    58    60    35.00000  109.50000
   64    66    67    35.00000  120.00000
   64    66    68    63.00000  120.00000
   64    72    71    63.00000  120.00000
   64    72    73    35.00000  120.00000
   66    68    69    35.00000  120.00000
   66    68    70    63.00000  120.00000
   68    66    67    35.00000  120.00000
   68    70    71    63.00000  120.00000
   68    70    78    70.00000  120.00000
   70    68    69    35.00000  120.00000
   70    71    72    63.00000  120.00000
   70    71    74    70.00000  120.00000
   70    78    75   100.00000  112.36700
   71    72    73    35.00000  120.00000
   71    74    75   100.00000  112.36700
   72    64    66    63.00000  120.00000
   74    71    72    70.00000  120.00000
   74    75    76    35.00000  109.50000
   74    75    77    35.00000  109.50000
   74    75    78    92.60000  111.55000
   77    75    76    33.00000  109.50000
   78    70    71    70.00000  120.00000
   78    75    76    35.00000  109.50000
   78    75    77    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    55  -0.16000  1.0 1.0
   29    33    38    55  -0.03200 -1.0 2.0
   29    33    38    55   0.04500  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
   29    33    39    53   0.44750  1.0 1.0
   29    33    39    53  -0.17800 -1.0 2.0
   29    33    39    53   0.20200  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    55    52   3.62500 -1.0 2.0
   33    38    55    56   3.62500 -1.0 2.0
   33    39    43    44   0.30150 -1.0 2.0
   33    39    43    47   0.36750  1.0 3.0
   33    39    53    49   0.56750  1.0 1.0
   33    39    53    49  -0.07550 -1.0 2.0
   33    39    53    49   0.20000  1.0 3.0
   33    39    53    54   0.15000  1.0 3.0
   33    39    53    58   0.56750  1.0 1.0
   33    39    53    58  -0.07550 -1.0 2.0
   33    39    53    58   0.20000  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    55   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43  -0.11250  1.0 3.0
   34    33    39    53   0.15000  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    43   0.56750  1.0 1.0
   38    33    39    43  -0.07550 -1.0 2.0
   38    33    39    43   0.20000  1.0 3.0
   38    33    39    53  -0.03700  1.0 1.0
   38    33    39    53   0.37200 -1.0 2.0
   38    33    39    53  -0.47300  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    55    52   3.62500 -1.0 2.0
   41    38    55    56   3.62500 -1.0 2.0
   41    45   -48    52   3.62500 -1.0 2.0
   41    45    48    65   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    48    52    55   3.62500 -1.0 2.0
   45    48    52    57   3.62500 -1.0 2.0
   45    48    65    61   1.63200 -1.0 2.0
   46    45    48    52   3.62500 -1.0 2.0
   46    45    48    65   3.62500 -1.0 2.0
   48    52   -55    38   3.62500 -1.0 2.0
   48    52    55    56   3.62500 -1.0 2.0
   48    52   -57    61   1.63200 -1.0 2.0
   52    48   -65    61   1.63200 -1.0 2.0
   52    57    61    62   0.08050  1.0 3.0
   52    57    61    63   0.08050  1.0 3.0
   52    57   -61    65  -0.25600  1.0 1.0
   52    57   -61    65  -0.40050 -1.0 2.0
   52    57   -61    65   0.34700  1.0 3.0
   55    38    41    42   3.62500 -1.0 2.0
   55    38   -41    45   3.62500 -1.0 2.0
   55    52    57    61   1.63200 -1.0 2.0
   57    52    55    38   3.62500 -1.0 2.0
   57    52    55    56   3.62500 -1.0 2.0
   57    61   -65    48  -0.25600  1.0 1.0
   57    61   -65    48  -0.40050 -1.0 2.0
   57    61   -65    48   0.34700  1.0 3.0
   62    61    65    48   0.08050  1.0 3.0
   63    61    65    48   0.08050  1.0 3.0
   65    48    52    55   3.62500 -1.0 2.0
   65    48   -52    57   3.62500 -1.0 2.0
   39    33    38    41   0.04150 -1.0 2.0
   39    33    38    55   0.04150 -1.0 2.0
   39    43   -47    49   1.63150  1.0 1.0
   39    43   -47    49   2.92000 -1.0 2.0
   39    53    58    59   0.15000  1.0 3.0
   39    53    58    60   0.15000  1.0 3.0
   39    53    58    64  -0.03700  1.0 1.0
   39    53    58    64   0.37200 -1.0 2.0
   39    53    58    64  -0.47300  1.0 3.0
   40    39    43    44   0.00000  1.0 1.0
   40    39    43    47   0.00000  1.0 1.0
   40    39    53    49   0.15000  1.0 3.0
   40    39    53    54   0.15000  1.0 3.0
   40    39    53    58   0.15000  1.0 3.0
   43    39   -53    49  -0.95700  1.0 1.0
   43    39   -53    49  -0.18200 -1.0 2.0
   43    39   -53    49   0.29450  1.0 3.0
   43    39    53    54  -0.11250  1.0 3.0
   43    39    53    58  -0.95700  1.0 1.0
   43    39    53    58  -0.18200 -1.0 2.0
   43    39    53    58   0.29450  1.0 3.0
   43    47    49    50   0.08050  1.0 3.0
   43    47    49    51   0.08050  1.0 3.0
   43    47   -49    53  -0.25900  1.0 1.0
   43    47   -49    53  -0.47000 -1.0 2.0
   43    47   -49    53   0.11750  1.0 3.0
   44    43    47    49   3.00000 -1.0 2.0
   47    49   -53    39   0.62750  1.0 1.0
   47    49   -53    39  -0.30950 -1.0 2.0
   47    49   -53    39   0.27300  1.0 3.0
   47    49    53    54   0.23400  1.0 3.0
   47    49    53    58   0.62750  1.0 1.0
   47    49    53    58  -0.30950 -1.0 2.0
   47    49    53    58   0.27300  1.0 3.0
   49    53    58    59   0.15000  1.0 3.0
   49    53    58    60   0.15000  1.0 3.0
   49    53    58    64  -0.03700  1.0 1.0
   49    53    58    64   0.37200 -1.0 2.0
   49    53    58    64  -0.47300  1.0 3.0
   50    49    53    39   0.15000  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    58   0.15000  1.0 3.0
   51    49    53    39   0.15000  1.0 3.0
   51    49    53    54   0.15000  1.0 3.0
   51    49    53    58   0.15000  1.0 3.0
   53    39    43    44   0.30150 -1.0 2.0
   53    39   -43    47   0.36750  1.0 3.0
   53    58    64    66   0.04150 -1.0 2.0
   53    58    64    72   0.04150 -1.0 2.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    60   0.15000  1.0 3.0
   54    53    58    64   0.43200  1.0 3.0
   58    64    66    67   3.62500 -1.0 2.0
   58    64    66    68   3.62500 -1.0 2.0
   58    64    72    71   3.62500 -1.0 2.0
   58    64    72    73   3.62500 -1.0 2.0
   59    58    64    66   0.00000  1.0 1.0
   59    58    64    72   0.00000  1.0 1.0
   60    58    64    66   0.00000  1.0 1.0
   60    58    64    72   0.00000  1.0 1.0
   64    66    68    69   3.62500 -1.0 2.0
   64    66    68    70   3.62500 -1.0 2.0
   66    64    72    71   3.62500 -1.0 2.0
   66    64    72    73   3.62500 -1.0 2.0
   66    68   -70    71   3.62500 -1.0 2.0
   66    68    70    78   3.62500 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   67    66    68    70   3.62500 -1.0 2.0
   68    70    71    72   3.62500 -1.0 2.0
   68    70    71    74   3.62500 -1.0 2.0
   68    70    78    75   1.63200 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    78   3.62500 -1.0 2.0
   70    71   -72    64   3.62500 -1.0 2.0
   70    71    72    73   3.62500 -1.0 2.0
   70    71   -74    75   1.63200 -1.0 2.0
   71    70   -78    75   1.63200 -1.0 2.0
   71    74    75    76   0.08050  1.0 3.0
   71    74    75    77   0.08050  1.0 3.0
   71    74   -75    78  -0.25600  1.0 1.0
   71    74   -75    78  -0.40050 -1.0 2.0
   71    74   -75    78   0.34700  1.0 3.0
   72    64    66    67   3.62500 -1.0 2.0
   72    64   -66    68   3.62500 -1.0 2.0
   72    71    74    75   1.63200 -1.0 2.0
   74    71    72    64   3.62500 -1.0 2.0
   74    71    72    73   3.62500 -1.0 2.0
   74    75   -78    70  -0.25600  1.0 1.0
   74    75   -78    70  -0.40050 -1.0 2.0
   74    75   -78    70   0.34700  1.0 3.0
   76    75    78    70   0.08050  1.0 3.0
   77    75    78    70   0.08050  1.0 3.0
   78    70    71    72   3.62500 -1.0 2.0
   78    70   -71    74   3.62500 -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
   37    30    35    36  10.50000 -1.0 2.0
   41    55    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   52    65    48    45   4.00000 -1.0 2.0
   55    57    52    48   4.00000 -1.0 2.0
   52    56    55    38   1.10000 -1.0 2.0
   39    47    43    44  10.50000 -1.0 2.0
   66    72    64    58   4.00000 -1.0 2.0
   68    67    66    64   1.10000 -1.0 2.0
   70    69    68    66   1.10000 -1.0 2.0
   71    78    70    68   4.00000 -1.0 2.0
   72    74    71    70   4.00000 -1.0 2.0
   71    73    72    64   1.10000 -1.0 2.0
END
