* LIGAND DATABASE FILE (OPLS2005)
*
001      82    86    157    253     460
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02088    86.41021   -74.76753
    3     1 S   H    _H1_     3     1.02130    93.89834    33.74987
    4     1 S   H    _H2_     4     1.02145    33.39287   152.49312
    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     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08641   109.88695   179.08657
   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   _C22    36     1.83100    98.00237   161.85061
   34    33 S   HC   _H3_    37     1.15133   103.03830   -63.30347
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C18    38     1.53587   115.83717  -179.98022
   39    38 S   HC   _H38    39     1.14032   106.29581   160.93282
   40    38 S   CT   _C19    40     1.53711   112.56051   -79.68303
   41    40 S   HC   _H39    41     1.08900   110.56137    66.58443
   42    38 S   CO4  _C15    76     1.50167   112.08661    47.85117
   43    42 S   O    _O24    77     1.22327   124.09541  -125.57919
   44    40 S   CT   _C16    42     1.53570   111.16838  -173.03869
   45    44 S   HC   _H34    43     1.10086   109.62808    41.51527
   46    44 S   HC   _H35    44     1.10016   108.61994   -74.74030
   47    40 S   CT   _C20    56     1.53148   109.43368   -52.74165
   48    47 S   HC   _H40    57     1.09827   107.93047   -66.52606
   49    42 S   OS   _O26    78     1.36393   109.53506    54.40305
   50    44 S   CA   _C14    45     1.49849   114.75103   162.06136
   51    47 S   CT   _C21    58     1.54227   112.45803    51.09624
   52    51 S   HC   _H41    59     1.13185   105.30002  -162.87753
   53    49 S   CT   _C24    79     1.43083   115.46924   179.97202
   54    53 S   HC   _H46    80     1.09283   109.57223  -179.97202
   55    53 S   HC   _H47    81     1.09293   109.51668    59.24807
   56    53 S   HC   _H48    82     1.09281   109.00079   -60.35166
   57    50 S   CA   _C13    46     1.41062   120.70074   169.83527
   58    33 S   OS   _O25    60     1.43200   113.31133    49.40816
   59    51 S   CT   _C23    61     1.52895   115.46273    80.11716
   60    59 S   HC   _H43    62     1.08870   109.84407   -63.55640
   61    59 S   HC   _H44    63     1.08865   109.81694   176.43828
   62    59 S   HC   _H45    64     1.08845   109.80526    56.39618
   63    57 S   CA   _C11    47     1.39816   120.07438   176.71586
   64    57 S   NB   _N22    75     1.34749   130.95991    -3.00427
   65    63 S   CA   _C8_    48     1.38395   122.48415    -0.21670
   66    65 S   HA   _H32    49     1.08314   122.64066   179.68348
   67    63 S   CA   _C10    65     1.38671   106.88804   179.81233
   68    65 S   CA   _C9_    50     1.38451   115.25259    -0.23573
   69    68 S   HA   _H33    51     1.08477   120.75304   179.28127
   70    67 S   CA   _C6_    66     1.39557   130.52776  -179.84298
   71    70 S   HA   _H30    67     1.08392   122.01980     0.10087
   72    50 S   NAP  _N23    52     1.35852   122.87246   -14.90389
   73    70 S   CA   _C4_    68     1.39602   116.35654  -179.90935
   74    73 S   HA   _H28    69     1.08786   119.34580  -179.96044
   75    72 S   CT   _C17    53     1.48674   120.64450     6.92693
   76    75 S   HC   _H36    54     1.09709   107.95626  -148.06518
   77    75 S   HC   _H37    55     1.09803   104.78827    95.70337
   78    73 S   CA   _C5_    70     1.40309   121.44886     0.05935
   79    78 S   HA   _H29    71     1.08792   119.12866   179.98022
   80    78 S   CA   _C7_    72     1.39750   121.75271    -0.03426
   81    80 S   HA   _H31    73     1.08381   121.69805   180.00000
   82    67 S   CA   _C12    74     1.40417   106.29467     0.30774
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  14   6   2   1   1  16   8  19   9   9   2  12   5   4  14   8
   4  12  10   6   3   2   1   1  11   5   4   2   1   1  12   8
   8   4   9   5   2   7   4   3   6   3   2   1   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    58    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    51    58    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    51    52    58    59    42    43    49  
   38    39    40    51    58    42  
   36    37  
   37  
    0  
   39    40    41    44    45    46    50    75    47    48    51    58    42    43    49    53  
   40    41    44    47    58    42    43    49  
   41    44    45    46    50    57    72    75    76    77    47    48    51    52    58    59    42    43    49  
   44    45    46    50    75    47    48    51    42  
   43    49    53    54    55    56    44    47    58  
   49    53  
   45    46    50    57    63    68    72    75    47    48    51    64  
   46    50    57    72    47  
   50    57    72    47  
   48    51    52    58    59    60    61    62    50    68    72    75    76    77  
   51    52    58    59    72    75    76    77  
   53    54    55    56  
   57    63    65    68    69    72    75    76    77    67    82    64  
   52    58    59    60    61    62    72    75    76    77  
   58    59    60    61    62    75  
   54    55    56  
   55    56  
   56  
    0  
   63    65    66    68    72    75    67    70    80    82    64  
   59    60    61    62    75  
   60    61    62    75  
   61    62  
   62  
    0  
   65    66    68    69    72    67    70    71    73    80    82    64  
   65    67    70    72    78    80    81    82  
   66    68    69    72    75    67    70    82  
   68    69    72    67  
   70    71    73    74    78    80    81    82    68  
   69    72    75    76    77  
   72    75  
   71    73    74    78    79    80    82  
   73    74    78    82  
   75    76    77  
   74    78    79    80    81    82  
   78    79    80  
   76    77  
   77  
    0  
   79    80    81    82  
   80    81    82  
   81    82  
   82  
    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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5500   0.0700   0.007500   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5500   0.0700   0.122500   2.5000   1.7750   0.001000000  -0.843144165
   58   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.2500   0.1700  -1.372500   1.8375   1.6250   0.005000000   0.000000000
   65   3.5500   0.0700  -0.205100   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700   0.007500   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.2500   0.1700   0.632500   1.9750   1.7500   0.001000000  -0.511443539
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5000   0.0660   0.002500   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.5500   0.0700   0.250000   2.5000   1.7750   0.001000000  -0.843144165
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   268.000  1.529
   33    58   320.000  1.410
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   317.000  1.522
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    47   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    50   317.000  1.510
   50    57   469.000  1.400
   50    72   485.000  1.342
   57    63   469.000  1.400
   57    64   483.000  1.339
   63    65   469.000  1.400
   63    67   469.000  1.400
   65    66   367.000  1.080
   65    68   469.000  1.400
   68    69   367.000  1.080
   68    72   485.000  1.342
   72    75   280.000  1.457
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    47   268.000  1.529
   47    48   340.000  1.090
   47    51   268.000  1.529
   51    52   340.000  1.090
   51    58   320.000  1.410
   51    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   67    70   469.000  1.400
   67    82   469.000  1.400
   70    71   367.000  1.080
   70    73   469.000  1.400
   73    74   367.000  1.080
   73    78   469.000  1.400
   78    79   367.000  1.080
   78    80   469.000  1.400
   80    81   367.000  1.080
   80    82   469.000  1.400
   82    64   483.000  1.339
   42    43   570.000  1.229
   42    49   214.000  1.327
   49    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    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    75.00000  111.63000
   29    33    58    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    63.00000  111.10000
   33    58    51    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    47    58.35000  112.70000
   38    42    43    80.00000  120.40000
   38    42    49    81.00000  111.40000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    50    70.00000  112.17500
   40    47    75    58.35000  112.70000
   40    47    48    37.50000  110.70000
   40    47    51    58.35000  112.70000
   44    40    41    37.50000  110.70000
   44    50    57    70.00000  120.00000
   44    50    72    70.00000  116.21300
   46    44    45    33.00000  107.80000
   50    44    45    35.00000  109.50000
   50    44    46    35.00000  109.50000
   50    57    63    63.00000  120.00000
   50    57    64    70.00000  124.00000
   50    72    68    70.00000  123.81700
   50    72    75    70.00000  119.18700
   57    63    65    63.00000  120.00000
   57    63    67    63.00000  120.00000
   57    64    82    70.00000  117.00000
   63    65    66    35.00000  120.00000
   63    65    68    63.00000  120.00000
   63    67    70    63.00000  120.00000
   63    67    82    63.00000  120.00000
   65    68    69    35.00000  120.00000
   65    68    72    70.00000  119.29800
   68    65    66    35.00000  120.00000
   68    72    75    70.00000  119.18700
   72    50    57    70.00000  119.29800
   72    68    69    45.00000  112.84900
   72    75    76    50.00000  106.41000
   72    75    77    50.00000  106.41000
   72    75    47    75.00000  109.47200
   75    47    48    37.50000  110.70000
   75    47    51    58.35000  112.70000
   77    75    76    33.00000  107.80000
   47    40    41    37.50000  110.70000
   47    40    44    58.35000  112.70000
   47    75    76    37.50000  110.70000
   47    75    77    37.50000  110.70000
   47    51    52    37.50000  110.70000
   47    51    58    50.00000  109.50000
   47    51    59    58.35000  112.70000
   51    47    48    37.50000  110.70000
   51    59    60    37.50000  110.70000
   51    59    61    37.50000  110.70000
   51    59    62    37.50000  110.70000
   58    33    34    35.00000  109.50000
   58    33    38    50.00000  109.50000
   58    51    52    35.00000  109.50000
   59    51    52    37.50000  110.70000
   59    51    58    50.00000  109.50000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   67    63    65    63.00000  120.00000
   67    70    71    35.00000  120.00000
   67    70    73    63.00000  120.00000
   67    82    80    63.00000  120.00000
   67    82    64    70.00000  124.00000
   70    73    74    35.00000  120.00000
   70    73    78    63.00000  120.00000
   73    70    71    35.00000  120.00000
   73    78    79    35.00000  120.00000
   73    78    80    63.00000  120.00000
   78    73    74    35.00000  120.00000
   78    80    81    35.00000  120.00000
   78    80    82    63.00000  120.00000
   80    78    79    35.00000  120.00000
   80    82    64    70.00000  124.00000
   82    67    70    63.00000  120.00000
   82    80    81    35.00000  120.00000
   64    57    63    70.00000  124.00000
   42    38    39    35.00000  109.50000
   42    38    40    63.00000  111.10000
   42    49    53    83.00000  116.90000
   49    42    43    83.00000  123.40000
   49    53    54    35.00000  109.50000
   49    53    55    35.00000  109.50000
   49    53    56    35.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    58   0.13850  1.0 1.0
   24    29    33    58  -1.34450 -1.0 2.0
   24    29    33    58   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    58    51   0.14700  1.0 1.0
   29    33    58    51  -1.16150 -1.0 2.0
   29    33    58    51   0.48700  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    47   0.56750  1.0 1.0
   33    38    40    47  -0.07550 -1.0 2.0
   33    38    40    47   0.20000  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    49   0.36750  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42  -0.11250  1.0 3.0
   34    33    58    51   0.37050  1.0 3.0
   38    33    58    51   0.06250  1.0 1.0
   38    33    58    51  -0.01100 -1.0 2.0
   38    33    58    51   0.28050  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40    44    46   0.15000  1.0 3.0
   38    40    44    50  -0.03700  1.0 1.0
   38    40    44    50   0.37200 -1.0 2.0
   38    40    44    50  -0.47300  1.0 3.0
   38    40    47    75   0.56750  1.0 1.0
   38    40    47    75  -0.07550 -1.0 2.0
   38    40    47    75   0.20000  1.0 3.0
   38    40    47    48   0.15000  1.0 3.0
   38    40   -47    51   0.56750  1.0 1.0
   38    40   -47    51  -0.07550 -1.0 2.0
   38    40   -47    51   0.20000  1.0 3.0
   38    42    49    53   1.63150  1.0 1.0
   38    42    49    53   2.92000 -1.0 2.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    47   0.15000  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    49   0.00000  1.0 1.0
   40    38    42    43   0.30150 -1.0 2.0
   40    38    42    49   0.36750  1.0 3.0
   40    44    50    57   0.04150 -1.0 2.0
   40    44    50    72   0.29300  1.0 1.0
   40    44    50    72  -1.19700 -1.0 2.0
   40    44    50    72   0.60900  1.0 3.0
   40    47    51    52   0.15000  1.0 3.0
   40    47    51    58   0.62750  1.0 1.0
   40    47    51    58  -0.30950 -1.0 2.0
   40    47    51    58   0.27300  1.0 3.0
   40    47    51    59   0.56750  1.0 1.0
   40    47    51    59  -0.07550 -1.0 2.0
   40    47    51    59   0.20000  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    50   0.43200  1.0 3.0
   41    40    47    75   0.15000  1.0 3.0
   41    40    47    48   0.15000  1.0 3.0
   41    40    47    51   0.15000  1.0 3.0
   44    40    47    75   0.56750  1.0 1.0
   44    40    47    75  -0.07550 -1.0 2.0
   44    40    47    75   0.20000  1.0 3.0
   44    40    47    48   0.15000  1.0 3.0
   44    40    47    51   0.56750  1.0 1.0
   44    40    47    51  -0.07550 -1.0 2.0
   44    40    47    51   0.20000  1.0 3.0
   44    50    57    63   3.62500 -1.0 2.0
   44    50    57    64   3.62500 -1.0 2.0
   44    50    72    68   3.62500 -1.0 2.0
   44    50   -72    75   3.62500 -1.0 2.0
   45    44    50    57   0.00000  1.0 1.0
   45    44    50    72   0.00000  1.0 1.0
   46    44    50    57   0.00000  1.0 1.0
   46    44    50    72   0.00000  1.0 1.0
   50    57    63    65   3.62500 -1.0 2.0
   50    57    63    67   3.62500 -1.0 2.0
   50    57    64    82   3.62500 -1.0 2.0
   50    72    75    76   0.00000  1.0 1.0
   50    72    75    77   0.00000  1.0 1.0
   50    72    75    47   0.00000  1.0 1.0
   57    50    72    68   3.62500 -1.0 2.0
   57    50    72    75   3.62500 -1.0 2.0
   57    63    65    66   3.62500 -1.0 2.0
   57    63   -65    68   3.62500 -1.0 2.0
   57    63    67    70   3.62500 -1.0 2.0
   57    63   -67    82   3.62500 -1.0 2.0
   63    57   -64    82   3.62500 -1.0 2.0
   63    65    68    69   3.62500 -1.0 2.0
   63    65    68    72   3.62500 -1.0 2.0
   63    67    70    71   3.62500 -1.0 2.0
   63    67    70    73   3.62500 -1.0 2.0
   63    67    82    80   3.62500 -1.0 2.0
   63    67   -82    64   3.62500 -1.0 2.0
   65    63    67    70   3.62500 -1.0 2.0
   65    63    67    82   3.62500 -1.0 2.0
   65    68   -72    50   3.62500 -1.0 2.0
   65    68    72    75   3.62500 -1.0 2.0
   66    65    68    69   3.62500 -1.0 2.0
   66    65    68    72   3.62500 -1.0 2.0
   68    72    75    76   0.00000  1.0 1.0
   68    72    75    77   0.00000  1.0 1.0
   68    72    75    47   0.00000  1.0 1.0
   69    68    72    50   3.62500 -1.0 2.0
   69    68    72    75   3.62500 -1.0 2.0
   72    50   -57    63   3.62500 -1.0 2.0
   72    50    57    64   3.62500 -1.0 2.0
   72    75   -47    40   0.56750  1.0 1.0
   72    75   -47    40  -0.07550 -1.0 2.0
   72    75   -47    40   0.20000  1.0 3.0
   72    75    47    48   0.15000  1.0 3.0
   72    75    47    51   0.56750  1.0 1.0
   72    75    47    51  -0.07550 -1.0 2.0
   72    75    47    51   0.20000  1.0 3.0
   75    47    51    52   0.15000  1.0 3.0
   75    47    51    58   0.62750  1.0 1.0
   75    47    51    58  -0.30950 -1.0 2.0
   75    47    51    58   0.27300  1.0 3.0
   75    47    51    59   0.56750  1.0 1.0
   75    47    51    59  -0.07550 -1.0 2.0
   75    47    51    59   0.20000  1.0 3.0
   76    75    47    40   0.15000  1.0 3.0
   76    75    47    48   0.15000  1.0 3.0
   76    75    47    51   0.15000  1.0 3.0
   77    75    47    40   0.15000  1.0 3.0
   77    75    47    48   0.15000  1.0 3.0
   77    75    47    51   0.15000  1.0 3.0
   47    40    44    45   0.15000  1.0 3.0
   47    40    44    46   0.15000  1.0 3.0
   47    40   -44    50  -0.03700  1.0 1.0
   47    40   -44    50   0.37200 -1.0 2.0
   47    40   -44    50  -0.47300  1.0 3.0
   47    51   -58    33   0.06250  1.0 1.0
   47    51   -58    33  -0.01100 -1.0 2.0
   47    51   -58    33   0.28050  1.0 3.0
   47    51    59    60   0.15000  1.0 3.0
   47    51    59    61   0.15000  1.0 3.0
   47    51    59    62   0.15000  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    58   0.23400  1.0 3.0
   48    47    51    59   0.15000  1.0 3.0
   52    51    58    33   0.37050  1.0 3.0
   52    51    59    60   0.15000  1.0 3.0
   52    51    59    61   0.15000  1.0 3.0
   52    51    59    62   0.15000  1.0 3.0
   58    33    38    39   0.23400  1.0 3.0
   58    33   -38    40   0.62750  1.0 1.0
   58    33   -38    40  -0.30950 -1.0 2.0
   58    33   -38    40   0.27300  1.0 3.0
   58    33    38    42  -0.09450  1.0 1.0
   58    33    38    42  -1.12950 -1.0 2.0
   58    33    38    42   0.54000  1.0 3.0
   58    51    59    60   0.23400  1.0 3.0
   58    51    59    61   0.23400  1.0 3.0
   58    51    59    62   0.23400  1.0 3.0
   59    51    58    33   0.06250  1.0 1.0
   59    51    58    33  -0.01100 -1.0 2.0
   59    51    58    33   0.28050  1.0 3.0
   67    63    65    66   3.62500 -1.0 2.0
   67    63    65    68   3.62500 -1.0 2.0
   67    70    73    74   3.62500 -1.0 2.0
   67    70    73    78   3.62500 -1.0 2.0
   67    82   -64    57   3.62500 -1.0 2.0
   70    67    82    80   3.62500 -1.0 2.0
   70    67    82    64   3.62500 -1.0 2.0
   70    73    78    79   3.62500 -1.0 2.0
   70    73   -78    80   3.62500 -1.0 2.0
   71    70    73    74   3.62500 -1.0 2.0
   71    70    73    78   3.62500 -1.0 2.0
   73    78    80    81   3.62500 -1.0 2.0
   73    78    80    82   3.62500 -1.0 2.0
   74    73    78    79   3.62500 -1.0 2.0
   74    73    78    80   3.62500 -1.0 2.0
   78    80   -82    67   3.62500 -1.0 2.0
   78    80    82    64   3.62500 -1.0 2.0
   79    78    80    81   3.62500 -1.0 2.0
   79    78    80    82   3.62500 -1.0 2.0
   80    82    64    57   3.62500 -1.0 2.0
   81    80    82    67   3.62500 -1.0 2.0
   81    80    82    64   3.62500 -1.0 2.0
   82    67    70    71   3.62500 -1.0 2.0
   82    67   -70    73   3.62500 -1.0 2.0
   64    57    63    65   3.62500 -1.0 2.0
   64    57   -63    67   3.62500 -1.0 2.0
   42    38    40    41  -0.11250  1.0 3.0
   42    38    40    44  -0.95700  1.0 1.0
   42    38    40    44  -0.18200 -1.0 2.0
   42    38    40    44   0.29450  1.0 3.0
   42    38    40    47  -0.95700  1.0 1.0
   42    38    40    47  -0.18200 -1.0 2.0
   42    38    40    47   0.29450  1.0 3.0
   42    49    53    54   0.08050  1.0 3.0
   42    49    53    55   0.08050  1.0 3.0
   42    49    53    56   0.08050  1.0 3.0
   43    42    49    53   3.00000 -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
   37    30    35    36  10.50000 -1.0 2.0
   57    72    50    44   4.00000 -1.0 2.0
   63    64    57    50   4.00000 -1.0 2.0
   65    67    63    57   4.00000 -1.0 2.0
   68    66    65    63   1.10000 -1.0 2.0
   72    69    68    65   1.10000 -1.0 2.0
   68    75    72    50   4.00000 -1.0 2.0
   70    82    67    63   4.00000 -1.0 2.0
   73    71    70    67   1.10000 -1.0 2.0
   78    74    73    70   1.10000 -1.0 2.0
   80    79    78    73   1.10000 -1.0 2.0
   82    81    80    78   1.10000 -1.0 2.0
   80    64    82    67   4.00000 -1.0 2.0
   38    49    42    43  10.50000 -1.0 2.0
END
