* LIGAND DATABASE FILE (OPLS2005)
*
001      78    80    142    213     406
    1     0 S   NP   _N1_     1    28.03970    96.60172   -22.25997
    2     1 S   H    _HN1     2     1.02835    36.63259   145.81390
    3     1 S   H    _H1_     3     1.02777    99.51597  -106.93175
    4     1 S   H    _H2_     4     1.02958    76.46347    -0.20936
    5     1 S   CT   _CA1     5     1.50120   142.18618   105.71900
    6     5 S   HC   _HA1     6     1.09575   105.22396    83.44019
    7     5 S   CO3  _C1_     7     1.53793   112.37022   -36.76191
    8     7 S   O2Z  _O11     8     1.26364   115.00069   -44.02646
    9     7 S   O2Z  _O12     9     1.26239   114.93327   135.11637
   10     5 S   CT   _CB1    10     1.53102   107.42784  -158.64792
   11    10 S   HC   HB11    11     1.09826   109.34922   -50.60097
   12    10 S   HC   HB12    12     1.09817   110.42301    65.96336
   13    10 S   CT   _CG1    13     1.53008   112.64884  -171.67784
   14    13 S   HC   HG11    14     1.09597   110.47171   -63.99253
   15    13 S   HC   HG12    15     1.09657   109.93334    55.19451
   16    13 S   C    _CD1    16     1.51837   112.35282   175.57428
   17    16 S   O    _OE1    17     1.22739   123.30073    -0.61134
   18    16 S   N    _N2_    18     1.38540   111.65949   179.36727
   19    18 S   H    _HN2    19     1.01554   119.01337     4.78160
   20    18 S   CT1  _CA2    20     1.45889   122.98481   178.06589
   21    20 S   HC   _HA2    21     1.09708   109.05265    22.45589
   22    20 S   C    _C2_    22     1.52865   106.63250   -94.84080
   23    22 S   O    _O2_    23     1.23017   122.86886   -30.12674
   24    20 S   CT   _CB2    32     1.53233   112.14267   145.72810
   25    24 S   HC   HB21    33     1.09438   109.56806    55.21210
   26    24 S   HC   HB22    34     1.09424   109.72025   173.89491
   27    22 S   N    _N3_    24     1.38465   112.76506   152.57605
   28    27 S   H    _HN3    25     1.01671   120.41989    -1.17686
   29    24 S   S    _SG2    35     1.82885   110.75670   -65.57597
   30    27 S   CT   _CA3    26     1.45368   122.31759   178.64824
   31    30 S   HC   HA31    27     1.09571   107.47246   -63.04165
   32    30 S   HC   HA32    28     1.09575   107.90429    53.23498
   33    29 S   CT   _C17    36     1.87379   101.27773   177.50456
   34    30 S   CO3  _C3_    29     1.52867   114.50875   175.24898
   35    34 S   O2Z  _O31    30     1.26308   116.12235    -1.27226
   36    34 S   O2Z  _O32    31     1.26464   114.37420   178.80975
   37    33 S   CM   _C13    37     1.57320   111.42592    56.51700
   38    33 S   CT   _C18    75     1.54317   107.02394  -179.88986
   39    38 S   HC   _H35    76     1.09794   111.45935    64.20450
   40    38 S   HC   _H36    77     1.09321   113.79192   -56.65322
   41    38 S   HC   _H37    78     1.09427   111.10478  -177.40007
   42    37 S   CT   _C16    38     1.57573   118.05766  -119.00455
   43    42 S   HC   _H34    39     1.10133   105.22760   122.45094
   44    37 S   CMA  _C14    65     1.37990   122.97906    57.76046
   45    44 S   OM   _O20    66     1.27008   125.21481  -175.52867
   46    42 S   CA   _C8_    40     1.53837   114.04947  -118.96396
   47    42 S   CM   _C10    55     1.48781   113.91736     8.87952
   48    44 S   OS   _O24    67     1.41540   112.35604     2.89516
   49    46 S   CA   _C6_    41     1.40982   117.93779  -116.80199
   50    49 S   HA   _H30    42     1.08801   120.23133     0.72470
   51    47 S   CM   _C11    56     1.32226   124.44554   -10.70848
   52    48 S   CT   _C20    68     1.43095   116.28588   158.24519
   53    52 S   HC   _H41    69     1.09635   110.27630   -54.90770
   54    52 S   HC   _H42    70     1.09596   110.24374    66.71570
   55    49 S   CA   _C4_    43     1.39327   121.23060  -179.75055
   56    55 S   HA   _H28    44     1.08590   120.02657  -179.47362
   57    51 S   CT   _C15    57     1.47037   111.86407  -178.72543
   58    57 S   HC   _H32    58     1.09379   112.58249   116.62029
   59    57 S   HC   _H33    59     1.09384   112.56578  -118.20452
   60    33 S   NE   _N19    63     1.46468   105.37435   -67.59375
   61    60 S   H    _H44    64     1.01489   117.22521   -56.18442
   62    52 S   CT   _C19    71     1.51771   107.88567  -174.21934
   63    62 S   HC   _H38    72     1.09507   110.60753   -58.68277
   64    62 S   HC   _H39    73     1.09497   110.63374    59.58729
   65    62 S   HC   _H40    74     1.09356   110.88974  -179.57942
   66    55 S   CA   _C5_    45     1.38882   119.76188     0.22728
   67    66 S   HA   _H29    46     1.08627   119.98058  -179.54630
   68    57 S   OS   _O22    60     1.43514   103.25873    -0.83977
   69    66 S   CA   _C7_    47     1.39542   120.08076     0.53082
   70    69 S   HA   _H31    48     1.08572   117.41294  -179.76015
   71    47 S   CO4  _C12    61     1.46162   128.81392   169.46120
   72    71 S   O    _O21    62     1.21824   125.96001    -1.34290
   73    46 S   CA   _C9_    49     1.41195   123.50165    64.99358
   74    73 S   OS   _O23    50     1.36875   116.51957     0.15826
   75    74 S   CTHO _C21    51     1.41700   117.83609   168.25387
   76    75 S   F    _F25    52     1.35548   109.18137    75.42997
   77    75 S   F    _F26    53     1.35825   107.24450  -169.54144
   78    75 S   HC   _H43    54     1.09539   113.76746   -49.46954
  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  11   5   4   3
  16   2   1   1  18   8   3   2   1  18   7   9   2  13  11   7
   8   4   8   6   5   4   6   3   7   4   3   3   1   3   2   1
   1   5   3   2   4   2   1   1   5   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    60    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    51    60    61    44    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    46    47    51    57    60    61    44    45    48    38    39    40    41  
   35    36  
   36  
    0  
   42    43    46    49    73    47    51    71    60    61    44    45    48    52    38    39    40    41  
   39    40    41    42    44    51    60    61  
   40    41    60  
   41    60  
   60  
   43    46    49    50    55    69    73    74    47    51    57    68    71    72    60    44    45    48  
   46    49    73    47    51    71    44  
   45    48    52    53    54    62    46    47    60  
   48    52  
   49    50    55    56    66    69    70    73    74    75    47    51    71  
   51    57    58    59    68    71    72    60    61    49    73  
   52    53    54    62    63    64    65  
   50    55    56    66    67    69    73    74  
   55    56    66    73  
   57    58    59    68    71    72    60    61  
   53    54    62    63    64    65  
   54    62    63    64    65  
   62    63    64    65  
   56    66    67    69    70    73  
   66    67    69  
   58    59    68    71    72    60    61  
   59    68    71    60  
   68    71    60  
   61    68    71  
    0  
   63    64    65  
   64    65  
   65  
    0  
   67    69    70    73    74  
   69    70    73  
   71    72  
   70    73    74    75  
   73    74  
   72  
    0  
   74    75    76    77    78  
   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   0.402800   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0760  -0.051000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   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   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.2500   0.1700  -0.607000   1.8650   1.6500   0.051222218  -2.220205820
   61   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   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   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5500   0.0700   0.199600   2.5000   1.7750   0.001000000  -0.843144165
   74   2.9000   0.1400  -0.381100   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5000   0.0660   0.616700   1.9750   1.7500   0.005000000  -0.741685710
   76   2.9500   0.0530  -0.232600   2.4980   2.2250   0.001000000   0.985400000
   77   2.9500   0.0530  -0.232600   2.4980   2.2250   0.001000000   0.985400000
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
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    60   382.000  1.448
   33    38   268.000  1.529
   37    42   317.000  1.510
   37    44   465.000  1.376
   42    43   340.000  1.090
   42    46   317.000  1.510
   42    47   317.000  1.510
   46    49   469.000  1.400
   46    73   469.000  1.400
   49    50   367.000  1.080
   49    55   469.000  1.400
   55    56   367.000  1.080
   55    66   469.000  1.400
   66    67   367.000  1.080
   66    69   469.000  1.400
   69    70   367.000  1.080
   69    73   469.000  1.400
   73    74   450.000  1.364
   74    75   470.000  1.351
   75    76   455.000  1.355
   75    77   455.000  1.355
   75    78   375.000  1.089
   47    51   549.000  1.340
   47    71   320.000  1.462
   51    57   317.000  1.510
   51    60   425.000  1.378
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    68   320.000  1.410
   68    71   214.000  1.327
   71    72   570.000  1.229
   60    61   434.000  1.010
   44    45   745.000  1.250
   44    48   440.000  1.360
   48    52   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   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    60    80.00000  108.62000
   29    33    38    75.00000  111.63000
   33    37    42    65.00000  117.92700
   33    37    44    70.00000  124.00000
   33    60    51    50.00000  121.00000
   33    60    61    35.00000  112.50000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    43    35.00000  109.50000
   37    42    46    70.00000  112.99600
   37    42    47    70.00000  110.12100
   37    44    45    65.00000  137.10300
   37    44    48    80.00000  120.01400
   42    46    49    70.00000  120.00000
   42    46    73    70.00000  120.00000
   42    47    51    70.00000  124.00000
   42    47    71    65.00000  116.34900
   46    42    43    35.00000  109.50000
   46    49    50    35.00000  120.00000
   46    49    55    63.00000  120.00000
   46    73    69    63.00000  120.00000
   46    73    74    70.00000  120.00000
   49    55    56    35.00000  120.00000
   49    55    66    63.00000  120.00000
   55    49    50    35.00000  120.00000
   55    66    67    35.00000  120.00000
   55    66    69    63.00000  120.00000
   66    55    56    35.00000  120.00000
   66    69    70    35.00000  120.00000
   66    69    73    63.00000  120.00000
   69    66    67    35.00000  120.00000
   69    73    74    70.00000  120.00000
   73    46    49    63.00000  120.00000
   73    69    70    35.00000  120.00000
   73    74    75    90.00000  114.16000
   74    75    76   110.00000  110.36100
   74    75    77   110.00000  110.36100
   74    75    78    60.00000  110.43500
   77    75    76   110.00000  107.78700
   78    75    76    55.00000  109.56900
   78    75    77    55.00000  109.56900
   47    42    43    35.00000  109.50000
   47    42    46    70.00000  112.99600
   47    51    57    70.00000  124.00000
   47    51    60    70.00000  124.03900
   47    71    68    90.00000  111.29400
   47    71    72    80.00000  123.72100
   51    57    58    35.00000  109.50000
   51    57    59    35.00000  109.50000
   51    57    68    85.00000  110.90400
   51    60    61    35.00000  114.50000
   57    68    71    83.00000  116.90000
   59    57    58    33.00000  107.80000
   68    57    58    35.00000  109.50000
   68    57    59    35.00000  109.50000
   68    71    72    83.00000  123.40000
   71    47    51    65.00000  118.96000
   60    33    37    80.00000  112.42400
   60    51    57    75.00000  116.24600
   44    37    42    70.00000  124.00000
   44    48    52    90.00000  111.18400
   48    44    45    65.00000  121.00000
   48    52    53    35.00000  109.50000
   48    52    54    35.00000  109.50000
   48    52    62    50.00000  109.50000
   52    62    63    37.50000  110.70000
   52    62    64    37.50000  110.70000
   52    62    65    37.50000  110.70000
   54    52    53    33.00000  107.80000
   62    52    53    37.50000  110.70000
   62    52    54    37.50000  110.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    60    80.00000  111.61500
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    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    60   0.01700  1.0 1.0
   24    29    33    60  -0.23550 -1.0 2.0
   24    29    33    60   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    42   0.30250  1.0 1.0
   29    33    37    42  -0.14950 -1.0 2.0
   29    33    37    42   0.36900  1.0 3.0
   29    33    37    44   0.42700  1.0 1.0
   29    33    37    44  -0.70350 -1.0 2.0
   29    33    37    44  -0.43150  1.0 3.0
   29    33    60    51  -0.12500  1.0 1.0
   29    33    60    51  -0.12500 -1.0 2.0
   29    33    60    51   0.25000  1.0 3.0
   29    33    60    61  -0.12500  1.0 1.0
   29    33    60    61  -0.12500 -1.0 2.0
   29    33    60    61   0.25000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   33    37    42    43   0.34800  1.0 3.0
   33    37    42    46   0.09700  1.0 1.0
   33    37    42    46   0.15600 -1.0 2.0
   33    37    42    46  -0.50800  1.0 3.0
   33    37    42    47   0.09700  1.0 1.0
   33    37    42    47   0.15600 -1.0 2.0
   33    37    42    47  -0.50800  1.0 3.0
   33    37    44    45   7.00000 -1.0 2.0
   33    37    44    48   7.00000 -1.0 2.0
   37    33    60    51  -0.12500  1.0 1.0
   37    33    60    51  -0.12500 -1.0 2.0
   37    33    60    51   0.25000  1.0 3.0
   37    33    60    61  -0.12500  1.0 1.0
   37    33    60    61  -0.12500 -1.0 2.0
   37    33    60    61   0.25000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    42    46    49   0.18050 -1.0 2.0
   37    42    46    73   0.18050 -1.0 2.0
   37    42   -47    51  -0.28300  1.0 1.0
   37    42   -47    51   0.26700 -1.0 2.0
   37    42   -47    51  -0.63300  1.0 3.0
   37    42    47    71   0.09700  1.0 1.0
   37    42    47    71   0.15600 -1.0 2.0
   37    42    47    71  -0.50800  1.0 3.0
   37    44    48    52  -2.26850  1.0 1.0
   37    44    48    52   3.39050 -1.0 2.0
   42    37    44    45   7.00000 -1.0 2.0
   42    37    44    48   7.00000 -1.0 2.0
   42    46    49    50   3.62500 -1.0 2.0
   42    46    49    55   3.62500 -1.0 2.0
   42    46    73    69   3.62500 -1.0 2.0
   42    46    73    74   3.62500 -1.0 2.0
   42    47    51    57   7.00000 -1.0 2.0
   42    47    51    60   7.00000 -1.0 2.0
   42    47    71    68  -0.15000  1.0 1.0
   42    47    71    68   0.89550 -1.0 2.0
   42    47    71    68  -0.06900  1.0 3.0
   42    47    71    72  -0.64400  1.0 1.0
   42    47    71    72   0.26850 -1.0 2.0
   43    42    46    49   0.00000  1.0 1.0
   43    42    46    73   0.00000  1.0 1.0
   43    42    47    51   0.00000  1.0 1.0
   43    42    47    71   0.15000  1.0 3.0
   46    42    47    51   1.44450  1.0 1.0
   46    42    47    51   0.06600 -1.0 2.0
   46    42    47    51   0.29250  1.0 3.0
   46    42    47    71   0.09700  1.0 1.0
   46    42    47    71   0.15600 -1.0 2.0
   46    42    47    71  -0.50800  1.0 3.0
   46    49    55    56   3.62500 -1.0 2.0
   46    49    55    66   3.62500 -1.0 2.0
   46    73    74    75   1.11600 -1.0 2.0
   49    46    73    69   3.62500 -1.0 2.0
   49    46    73    74   3.62500 -1.0 2.0
   49    55    66    67   3.62500 -1.0 2.0
   49    55   -66    69   3.62500 -1.0 2.0
   50    49    55    56   3.62500 -1.0 2.0
   50    49    55    66   3.62500 -1.0 2.0
   55    66    69    70   3.62500 -1.0 2.0
   55    66    69    73   3.62500 -1.0 2.0
   56    55    66    67   3.62500 -1.0 2.0
   56    55    66    69   3.62500 -1.0 2.0
   66    69   -73    46   3.62500 -1.0 2.0
   66    69    73    74   3.62500 -1.0 2.0
   67    66    69    70   3.62500 -1.0 2.0
   67    66    69    73   3.62500 -1.0 2.0
   69    73    74    75   1.11600 -1.0 2.0
   70    69    73    46   3.62500 -1.0 2.0
   70    69    73    74   3.62500 -1.0 2.0
   73    46    49    50   3.62500 -1.0 2.0
   73    46   -49    55   3.62500 -1.0 2.0
   73    74    75    76   0.73750  1.0 1.0
   73    74    75    76  -2.02850 -1.0 2.0
   73    74    75    76   0.37850  1.0 3.0
   73    74    75    77   0.73750  1.0 1.0
   73    74    75    77  -2.02850 -1.0 2.0
   73    74    75    77   0.37850  1.0 3.0
   73    74    75    78   0.08050  1.0 3.0
   47    42    46    49   0.18050 -1.0 2.0
   47    42    46    73   0.18050 -1.0 2.0
   47    51    57    58   0.00000  1.0 1.0
   47    51    57    59   0.00000  1.0 1.0
   47    51   -57    68   0.39000  1.0 1.0
   47    51   -57    68  -0.05800 -1.0 2.0
   47    51   -57    68  -0.55150  1.0 3.0
   47    51   -60    33  -0.54700  1.0 1.0
   47    51   -60    33   1.23000 -1.0 2.0
   47    51    60    61   1.00000 -1.0 2.0
   51    47   -71    68  -0.56150  1.0 1.0
   51    47   -71    68   2.19150 -1.0 2.0
   51    47    71    72   1.00000 -1.0 2.0
   51    57   -68    71  -0.82050  1.0 1.0
   51    57   -68    71   0.00600 -1.0 2.0
   51    57   -68    71   0.04400  1.0 3.0
   57    51    60    33   1.00000 -1.0 2.0
   57    51    60    61   2.40850 -1.0 2.0
   57    68   -71    47   2.00000 -1.0 2.0
   57    68    71    72   3.00000 -1.0 2.0
   58    57    68    71   0.08050  1.0 3.0
   59    57    68    71   0.08050  1.0 3.0
   71    47   -51    57   7.00000 -1.0 2.0
   71    47    51    60   7.00000 -1.0 2.0
   60    33   -37    42   0.09700  1.0 1.0
   60    33   -37    42   0.15600 -1.0 2.0
   60    33   -37    42  -0.50800  1.0 3.0
   60    33    37    44   0.62150  1.0 1.0
   60    33    37    44   0.42850 -1.0 2.0
   60    33    37    44  -0.68200  1.0 3.0
   60    33    38    39   0.22950  1.0 3.0
   60    33    38    40   0.22950  1.0 3.0
   60    33    38    41   0.22950  1.0 3.0
   60    51    57    58  -0.18050  1.0 3.0
   60    51    57    59  -0.18050  1.0 3.0
   60    51    57    68   0.09700  1.0 1.0
   60    51    57    68   0.15600 -1.0 2.0
   60    51    57    68  -0.50800  1.0 3.0
   44    37    42    43   0.00000  1.0 1.0
   44    37    42    46   1.44450  1.0 1.0
   44    37    42    46   0.06600 -1.0 2.0
   44    37    42    46   0.29250  1.0 3.0
   44    37    42    47  -0.28300  1.0 1.0
   44    37    42    47   0.26700 -1.0 2.0
   44    37    42    47  -0.63300  1.0 3.0
   44    48    52    53   0.08050  1.0 3.0
   44    48    52    54   0.08050  1.0 3.0
   44    48    52    62  -0.46850  1.0 1.0
   44    48    52    62   0.09300 -1.0 2.0
   44    48    52    62  -0.12850  1.0 3.0
   45    44    48    52   2.00000 -1.0 2.0
   48    52    62    63   0.23400  1.0 3.0
   48    52    62    64   0.23400  1.0 3.0
   48    52    62    65   0.23400  1.0 3.0
   53    52    62    63   0.15000  1.0 3.0
   53    52    62    64   0.15000  1.0 3.0
   53    52    62    65   0.15000  1.0 3.0
   54    52    62    63   0.15000  1.0 3.0
   54    52    62    64   0.15000  1.0 3.0
   54    52    62    65   0.15000  1.0 3.0
   38    33    37    42   0.46850  1.0 1.0
   38    33    37    42   0.08550 -1.0 2.0
   38    33    37    42   0.09800  1.0 3.0
   38    33    37    44   0.09850  1.0 1.0
   38    33    37    44   0.15250 -1.0 2.0
   38    33    37    44  -0.50650  1.0 3.0
   38    33    60    51   0.25450  1.0 1.0
   38    33    60    51  -0.61700 -1.0 2.0
   38    33    60    51  -0.23550  1.0 3.0
   38    33    60    61   0.00000  1.0 1.0
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    42    37    44   1.10000 -1.0 2.0
   49    73    46    42   4.00000 -1.0 2.0
   55    50    49    46   1.10000 -1.0 2.0
   66    56    55    49   1.10000 -1.0 2.0
   69    67    66    55   1.10000 -1.0 2.0
   73    70    69    66   1.10000 -1.0 2.0
   69    74    73    46   4.00000 -1.0 2.0
   42    71    47    51   1.10000 -1.0 2.0
   57    60    51    47   1.10000 -1.0 2.0
   47    68    71    72  10.50000 -1.0 2.0
   61    51    60    33   1.00000 -1.0 2.0
   45    48    44    37   1.10000 -1.0 2.0
END
