* LIGAND DATABASE FILE (OPLS2005)
*
001      84    85    158    240     451
    1     0 S   NP   _N1_     1    29.50459    97.32887   -17.68061
    2     1 S   H    _HN1     2     1.02964    93.81284    40.05949
    3     1 S   H    _H1_     3     1.02843    54.43588   148.40657
    4     1 S   H    _H2_     4     1.02781    62.41267   -68.58395
    5     1 S   CT   _CA1     5     1.50094   155.14739  -152.02326
    6     5 S   HC   _HA1     6     1.09578   105.29441    10.75213
    7     5 S   CO3  _C1_     7     1.53842   112.14325  -109.46843
    8     7 S   O2Z  _O11     8     1.26341   115.05331   -50.38061
    9     7 S   O2Z  _O12     9     1.26224   114.85980   128.72338
   10     5 S   CT   _CB1    10     1.53080   107.40714   128.52810
   11    10 S   HC   HB11    11     1.09820   109.45984   -51.58169
   12    10 S   HC   HB12    12     1.09817   110.37060    64.91203
   13    10 S   CT   _CG1    13     1.53005   112.60493  -172.71242
   14    13 S   HC   HG11    14     1.09595   110.34515   -58.74464
   15    13 S   HC   HG12    15     1.09619   110.18912    60.37452
   16    13 S   C    _CD1    16     1.51823   112.05575  -179.41316
   17    16 S   O    _OE1    17     1.22721   123.17907   -13.63077
   18    16 S   N    _N2_    18     1.38535   111.70659   166.89715
   19    18 S   H    _HN2    19     1.01611   118.96393     1.41513
   20    18 S   CT1  _CA2    20     1.46231   123.53701  -178.02226
   21    20 S   HC   _HA2    21     1.09727   109.42322   -15.87470
   22    20 S   C    _C2_    22     1.53416   108.09540  -131.56550
   23    22 S   O    _O2_    23     1.23002   122.30977  -145.12589
   24    20 S   CT   _CB2    32     1.53515   111.19492   106.44342
   25    24 S   HC   HB21    33     1.09355   109.36962    53.95885
   26    24 S   HC   HB22    34     1.09516   110.57549   171.80248
   27    22 S   N    _N3_    24     1.38526   113.30102    42.19856
   28    27 S   H    _HN3    25     1.01531   118.92810    -0.49732
   29    24 S   S    _SG2    35     1.83175   111.69987   -69.77642
   30    27 S   CT   _CA3    26     1.45449   123.41544   175.13727
   31    30 S   HC   HA31    27     1.09525   109.19760    25.04019
   32    30 S   HC   HA32    28     1.09494   107.12711   142.04649
   33    29 S   CT   _C16    36     1.86445   102.28800   134.91539
   34    30 S   CO3  _C3_    29     1.52931   113.16290   -98.40535
   35    34 S   O2Z  _O31    30     1.26400   115.43404   -43.50408
   36    34 S   O2Z  _O32    31     1.26360   114.96088   137.43881
   37    33 S   CT   _C11    37     1.56351   111.83541   178.97512
   38    37 S   HC   _H30    38     1.09976   108.79177  -166.21466
   39    33 S   CT   _C21    81     1.53592   109.43160    57.14211
   40    39 S   HC   _H46    82     1.09416   112.28796   -68.67787
   41    39 S   HC   _H47    83     1.09630   111.34086   172.08890
   42    39 S   HC   _H48    84     1.09581   111.65027    52.96868
   43    37 S   CO4  _C4_    39     1.52268   101.42980    82.75340
   44    43 S   O    _O20    40     1.22486   124.71293  -163.15763
   45    37 S   CT   _C22    73     1.53349   116.86334   -41.27154
   46    45 S   HC   _H49    74     1.09686   110.73967    75.67335
   47    45 S   HC   _H50    75     1.09628   109.96256   -42.77625
   48    43 S   CT   _C10    41     1.50848   112.35219    17.62565
   49    48 S   HC   _H28    42     1.09214   109.94475   127.74354
   50    48 S   HC   _H29    43     1.09234   108.22732  -110.93262
   51    45 S   CM   _C7_    76     1.50485   112.04791  -161.55732
   52    51 S   HC   _H27    77     1.08719   117.25576    61.01287
   53    33 S   CT   _C14    44     1.55152   109.94852   -68.31786
   54    53 S   HC   _H33    45     1.09427   112.96243    44.44192
   55    51 S   CM   _C5_    78     1.33792   124.12079  -119.89540
   56    55 S   HC   _H24    79     1.08460   120.51812  -179.62991
   57    55 S   HC   _H25    80     1.08456   121.55060     0.71409
   58    53 S   OS   _O22    46     1.44595   109.30347   165.54227
   59    58 S   CO4  _C9_    47     1.36043   117.06513  -161.72224
   60    59 S   O    _O21    48     1.22215   126.85698     2.13936
   61    59 S   C3T  _C13    49     1.47922   110.90244  -179.29891
   62    61 S   HC   _H32    50     1.08694   112.60311   -81.27903
   63    61 S   C3T  _C12    51     1.51511   119.66372   135.67847
   64    63 S   HC   _H31    52     1.08707   116.55226    -3.29972
   65    61 S   C3T  _C15    53     1.52064   121.35401    64.67817
   66    63 S   CM   _C6_    62     1.47041   118.97604   137.51712
   67    66 S   HC   _H26    63     1.08887   115.09299   -28.95566
   68    65 S   CT   _C19    54     1.50996   116.72890  -139.79371
   69    68 S   HC   _H40    55     1.09530   110.09507    90.15032
   70    68 S   HC   _H41    56     1.09502   112.63356   -29.62397
   71    68 S   HC   _H42    57     1.09496   110.36511  -150.50600
   72    65 S   CT   _C20    58     1.51014   120.19951     3.54105
   73    72 S   HC   _H43    59     1.09500   110.40814   -81.24759
   74    72 S   HC   _H44    60     1.09518   110.15079   159.29671
   75    72 S   HC   _H45    61     1.09490   112.44833    39.51530
   76    66 S   CM   _C8_    64     1.34712   127.30346   151.92786
   77    76 S   CT   _C17    65     1.50323   121.23100   179.82417
   78    77 S   HC   _H34    66     1.09490   110.23720   120.17680
   79    77 S   HC   _H35    67     1.09488   110.26360  -120.00276
   80    77 S   HC   _H36    68     1.09506   112.33317     0.10835
   81    76 S   CT   _C18    69     1.50264   123.70111    -0.23573
   82    81 S   HC   _H37    70     1.09500   110.13980   121.44257
   83    81 S   HC   _H38    71     1.09495   110.11866  -119.01719
   84    81 S   HC   _H39    72     1.09370   113.00648     1.30131
  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  13   5   4   3
  19   2   1   1  19   9   9   3   2   1  11   5   9   4   3   6
   4   3   4   3   5   2   2   1   1   6   9   4  15   6  15   6
  11  12   3   7   3   2   1   3   2   1   1   8   7   3   2   1
   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    53    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    48    53    54    58    45    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    48    49    50    53    54    58    59    45    46    47    51    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    48    49    50    53    54    58    45    46    47    51    52    55    39    40    41    42  
   43    44    48    53    45    46    47    51    39  
   40    41    42    43    45    48    53    54    58  
   41    42    53  
   42    53  
   53  
   44    48    49    50    53    54    58    45    46    47    51  
   48    49    50    53    45  
   46    47    51    52    55    56    57    48    53  
   47    51    52    55  
   51    52    55  
   49    50    53    54    58    59  
   50    53    54    58  
   53    54    58  
   52    55    56    57  
   55    56    57  
   54    58    59    60    61  
   58    59  
   56    57  
   57  
    0  
   59    60    61    62    63    65  
   60    61    62    63    64    65    68    72    66  
   61    62    63    65  
   62    63    64    65    68    69    70    71    72    73    74    75    66    67    76  
   63    64    65    68    72    66  
   64    65    68    69    70    71    72    73    74    75    66    67    76    77    81  
   65    68    72    66    67    76  
   68    69    70    71    72    73    74    75    66    67    76  
   67    76    77    78    79    80    81    82    83    84    68    72  
   76    77    81  
   69    70    71    72    73    74    75  
   70    71    72  
   71    72  
   72  
   73    74    75  
   74    75  
   75  
    0  
   77    78    79    80    81    82    83    84  
   78    79    80    81    82    83    84  
   79    80    81  
   80    81  
   81  
   82    83    84  
   83    84  
   84  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   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   268.000  1.529
   33    53   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   317.000  1.522
   37    45   268.000  1.529
   43    44   570.000  1.229
   43    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    53   268.000  1.529
   53    54   340.000  1.090
   53    58   320.000  1.410
   58    59   214.000  1.327
   59    60   570.000  1.229
   59    61   290.000  1.496
   61    62   340.000  1.088
   61    63   260.000  1.509
   61    65   260.000  1.509
   63    64   340.000  1.088
   63    65   260.000  1.509
   63    66   305.000  1.480
   65    68   275.000  1.510
   65    72   275.000  1.510
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   66    67   340.000  1.080
   66    76   549.000  1.340
   76    77   317.000  1.510
   76    81   317.000  1.510
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    51   317.000  1.510
   51    52   340.000  1.080
   51    55   549.000  1.340
   55    56   340.000  1.080
   55    57   340.000  1.080
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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  111.63000
   29    33    53    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    37    45    58.35000  112.70000
   33    53    48    58.35000  112.70000
   33    53    54    37.50000  110.70000
   33    53    58    50.00000  109.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    80.00000  120.40000
   37    43    48    70.00000  116.00000
   37    45    46    37.50000  110.70000
   37    45    47    37.50000  110.70000
   37    45    51    70.00000  112.02700
   43    37    38    35.00000  109.50000
   43    48    49    35.00000  109.50000
   43    48    50    35.00000  109.50000
   43    48    53    63.00000  111.10000
   48    43    44    80.00000  120.40000
   48    53    54    37.50000  110.70000
   48    53    58    50.00000  109.50000
   50    48    49    33.00000  107.80000
   53    33    37    58.35000  112.70000
   53    48    49    37.50000  110.70000
   53    48    50    37.50000  110.70000
   53    58    59    83.00000  116.90000
   58    53    54    35.00000  109.50000
   58    59    60    83.00000  123.40000
   58    59    61    81.00000  111.40000
   59    61    62    40.00000  116.18000
   59    61    63    65.00000  117.18000
   59    61    65    65.00000  117.18000
   61    59    60    75.00000  121.36600
   61    63    64    37.50000  117.20000
   61    63    65    10.00000   60.00500
   61    63    66    60.00000  120.58800
   61    65    63    10.00000   60.00500
   61    65    68    60.00000  120.94000
   61    65    72    60.00000  120.94000
   63    61    62    37.50000  117.20000
   63    65    68    60.00000  120.94000
   63    65    72    60.00000  120.94000
   63    66    67    40.00000  117.24000
   63    66    76    55.00000  125.06700
   65    61    62    37.50000  117.20000
   65    61    63    10.00000   60.00500
   65    63    64    37.50000  117.20000
   65    68    69    45.00000  109.38400
   65    68    70    45.00000  109.38400
   65    68    71    45.00000  109.38400
   65    72    73    45.00000  109.38400
   65    72    74    45.00000  109.38400
   65    72    75    45.00000  109.38400
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    65    68    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   66    63    64    40.00000  112.45000
   66    63    65    60.00000  120.58800
   66    76    77    70.00000  124.00000
   66    76    81    70.00000  124.00000
   76    66    67    35.00000  120.00000
   76    77    78    35.00000  109.50000
   76    77    79    35.00000  109.50000
   76    77    80    35.00000  109.50000
   76    81    82    35.00000  109.50000
   76    81    83    35.00000  109.50000
   76    81    84    35.00000  109.50000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   81    76    77    65.00000  117.92700
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   45    37    38    37.50000  110.70000
   45    37    43    63.00000  111.10000
   45    51    52    35.00000  117.00000
   45    51    55    70.00000  124.00000
   47    45    46    33.00000  107.80000
   51    45    46    35.00000  109.50000
   51    45    47    35.00000  109.50000
   51    55    56    35.00000  120.00000
   51    55    57    35.00000  120.00000
   55    51    52    35.00000  120.00000
   57    55    56    35.00000  117.00000
   39    33    37    58.35000  112.70000
   39    33    53    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    37    45   0.44750  1.0 1.0
   29    33    37    45  -0.17800 -1.0 2.0
   29    33    37    45   0.20200  1.0 3.0
   29    33    53    48   0.44750  1.0 1.0
   29    33    53    48  -0.17800 -1.0 2.0
   29    33    53    48   0.20200  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    58   0.56750  1.0 1.0
   29    33    53    58  -0.07550 -1.0 2.0
   29    33    53    58   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   0.30150 -1.0 2.0
   33    37   -43    48   0.60050  1.0 1.0
   33    37   -43    48   0.05600 -1.0 2.0
   33    37   -43    48   0.26150  1.0 3.0
   33    37    45    46   0.15000  1.0 3.0
   33    37    45    47   0.15000  1.0 3.0
   33    37    45    51   0.34400  1.0 1.0
   33    37    45    51   0.09450 -1.0 2.0
   33    37    45    51   0.11100  1.0 3.0
   33    53    58    59  -0.25900  1.0 1.0
   33    53    58    59  -0.47000 -1.0 2.0
   33    53    58    59   0.11750  1.0 3.0
   37    33   -53    48   0.56750  1.0 1.0
   37    33   -53    48  -0.07550 -1.0 2.0
   37    33   -53    48   0.20000  1.0 3.0
   37    33    53    54   0.15000  1.0 3.0
   37    33    53    58   0.62750  1.0 1.0
   37    33    53    58  -0.30950 -1.0 2.0
   37    33    53    58   0.27300  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    48    49   0.00000  1.0 1.0
   37    43    48    50   0.00000  1.0 1.0
   37    43   -48    53   0.60050  1.0 1.0
   37    43   -48    53   0.05600 -1.0 2.0
   37    43   -48    53   0.26150  1.0 3.0
   37    45    51    52   0.00000  1.0 1.0
   37    45    51    55   0.09850  1.0 1.0
   37    45    51    55   0.15250 -1.0 2.0
   37    45    51    55  -0.50650  1.0 3.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    48   0.00000  1.0 1.0
   38    37    45    46   0.15000  1.0 3.0
   38    37    45    47   0.15000  1.0 3.0
   38    37    45    51   0.15000  1.0 3.0
   43    37    45    46  -0.11250  1.0 3.0
   43    37    45    47  -0.11250  1.0 3.0
   43    37    45    51  -0.98800  1.0 1.0
   43    37    45    51   0.48800 -1.0 2.0
   43    37    45    51   0.76800  1.0 3.0
   43    48   -53    33  -0.95700  1.0 1.0
   43    48   -53    33  -0.18200 -1.0 2.0
   43    48   -53    33   0.29450  1.0 3.0
   43    48    53    54  -0.11250  1.0 3.0
   43    48    53    58  -0.09450  1.0 1.0
   43    48    53    58  -1.12950 -1.0 2.0
   43    48    53    58   0.54000  1.0 3.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    50   0.00000  1.0 1.0
   44    43    48    53   0.30150 -1.0 2.0
   48    53    58    59  -0.25900  1.0 1.0
   48    53    58    59  -0.47000 -1.0 2.0
   48    53    58    59   0.11750  1.0 3.0
   49    48    53    33   0.15000  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    58   0.23400  1.0 3.0
   50    48    53    33   0.15000  1.0 3.0
   50    48    53    54   0.15000  1.0 3.0
   50    48    53    58   0.23400  1.0 3.0
   53    33    37    38   0.15000  1.0 3.0
   53    33   -37    43  -0.95700  1.0 1.0
   53    33   -37    43  -0.18200 -1.0 2.0
   53    33   -37    43   0.29450  1.0 3.0
   53    33    37    45   0.56750  1.0 1.0
   53    33    37    45  -0.07550 -1.0 2.0
   53    33    37    45   0.20000  1.0 3.0
   53    33    39    40   0.15000  1.0 3.0
   53    33    39    41   0.15000  1.0 3.0
   53    33    39    42   0.15000  1.0 3.0
   53    58    59    60   3.00000 -1.0 2.0
   53    58    59    61   1.63150  1.0 1.0
   53    58    59    61   2.92000 -1.0 2.0
   54    53    58    59   0.08050  1.0 3.0
   58    59    61    62   0.00000  1.0 1.0
   58    59    61    63   0.36750  1.0 3.0
   58    59    61    65   0.36750  1.0 3.0
   59    61    63    64   0.15000  1.0 3.0
   59    61   -63    65  -0.95700  1.0 1.0
   59    61   -63    65  -0.18200 -1.0 2.0
   59    61   -63    65   0.29450  1.0 3.0
   59    61    63    66  -0.98800  1.0 1.0
   59    61    63    66   0.48800 -1.0 2.0
   59    61    63    66   0.76800  1.0 3.0
   59    61   -65    63  -0.95700  1.0 1.0
   59    61   -65    63  -0.18200 -1.0 2.0
   59    61   -65    63   0.29450  1.0 3.0
   59    61    65    68  -0.95700  1.0 1.0
   59    61    65    68  -0.18200 -1.0 2.0
   59    61    65    68   0.29450  1.0 3.0
   59    61    65    72  -0.95700  1.0 1.0
   59    61    65    72  -0.18200 -1.0 2.0
   59    61    65    72   0.29450  1.0 3.0
   60    59    61    62   0.50000  1.0 3.0
   60    59    61    63   0.30150 -1.0 2.0
   60    59    61    65   0.30150 -1.0 2.0
   61    63   -65    68   0.07850  1.0 1.0
   61    63   -65    68  -0.03950 -1.0 2.0
   61    63   -65    68   0.67350  1.0 3.0
   61    63   -65    72   0.07850  1.0 1.0
   61    63   -65    72  -0.03950 -1.0 2.0
   61    63   -65    72   0.67350  1.0 3.0
   61    63    66    67   0.00000  1.0 1.0
   61    63    66    76   0.09850  1.0 1.0
   61    63    66    76   0.15250 -1.0 2.0
   61    63    66    76  -0.50650  1.0 3.0
   61    65    68    69   0.15000  1.0 3.0
   61    65    68    70   0.15000  1.0 3.0
   61    65    68    71   0.15000  1.0 3.0
   61    65    72    73   0.15000  1.0 3.0
   61    65    72    74   0.15000  1.0 3.0
   61    65    72    75   0.15000  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61   -63    65   0.15000  1.0 3.0
   62    61    63    66   0.15000  1.0 3.0
   62    61   -65    63   0.15000  1.0 3.0
   62    61    65    68   0.15000  1.0 3.0
   62    61    65    72   0.15000  1.0 3.0
   63    61   -65    68   0.07850  1.0 1.0
   63    61   -65    68  -0.03950 -1.0 2.0
   63    61   -65    68   0.67350  1.0 3.0
   63    61   -65    72   0.07850  1.0 1.0
   63    61   -65    72  -0.03950 -1.0 2.0
   63    61   -65    72   0.67350  1.0 3.0
   63    65    68    69   0.15000  1.0 3.0
   63    65    68    70   0.15000  1.0 3.0
   63    65    68    71   0.15000  1.0 3.0
   63    65    72    73   0.15000  1.0 3.0
   63    65    72    74   0.15000  1.0 3.0
   63    65    72    75   0.15000  1.0 3.0
   63    66    76    77   7.00000 -1.0 2.0
   63    66    76    81   7.00000 -1.0 2.0
   64    63   -65    61   0.15000  1.0 3.0
   64    63    65    68   0.15000  1.0 3.0
   64    63    65    72   0.15000  1.0 3.0
   64    63    66    67   0.33100  1.0 3.0
   64    63    66    76   0.00000  1.0 1.0
   65    61   -63    64   0.15000  1.0 3.0
   65    61   -63    66   0.34400  1.0 1.0
   65    61   -63    66   0.09450 -1.0 2.0
   65    61   -63    66   0.11100  1.0 3.0
   65    63    66    67   0.00000  1.0 1.0
   65    63    66    76   0.09850  1.0 1.0
   65    63    66    76   0.15250 -1.0 2.0
   65    63    66    76  -0.50650  1.0 3.0
   68    65    72    73   0.15000  1.0 3.0
   68    65    72    74   0.15000  1.0 3.0
   68    65    72    75   0.15000  1.0 3.0
   72    65    68    69   0.15000  1.0 3.0
   72    65    68    70   0.15000  1.0 3.0
   72    65    68    71   0.15000  1.0 3.0
   66    63   -65    61   0.34400  1.0 1.0
   66    63   -65    61   0.09450 -1.0 2.0
   66    63   -65    61   0.11100  1.0 3.0
   66    63    65    68   0.34400  1.0 1.0
   66    63    65    68   0.09450 -1.0 2.0
   66    63    65    68   0.11100  1.0 3.0
   66    63    65    72   0.34400  1.0 1.0
   66    63    65    72   0.09450 -1.0 2.0
   66    63    65    72   0.11100  1.0 3.0
   66    76    77    78   0.00000  1.0 1.0
   66    76    77    79   0.00000  1.0 1.0
   66    76    77    80   0.00000  1.0 1.0
   66    76    81    82   0.00000  1.0 1.0
   66    76    81    83   0.00000  1.0 1.0
   66    76    81    84   0.00000  1.0 1.0
   67    66    76    77   7.00000 -1.0 2.0
   67    66    76    81   7.00000 -1.0 2.0
   77    76    81    82   0.34800  1.0 3.0
   77    76    81    83   0.34800  1.0 3.0
   77    76    81    84   0.34800  1.0 3.0
   81    76    77    78   0.34800  1.0 3.0
   81    76    77    79   0.34800  1.0 3.0
   81    76    77    80   0.34800  1.0 3.0
   45    37    43    44   0.30150 -1.0 2.0
   45    37    43    48   0.60050  1.0 1.0
   45    37    43    48   0.05600 -1.0 2.0
   45    37    43    48   0.26150  1.0 3.0
   45    51    55    56   7.00000 -1.0 2.0
   45    51    55    57   7.00000 -1.0 2.0
   46    45    51    52   0.33100  1.0 3.0
   46    45    51    55   0.00000  1.0 1.0
   47    45    51    52   0.33100  1.0 3.0
   47    45    51    55   0.00000  1.0 1.0
   52    51    55    56   7.00000 -1.0 2.0
   52    51    55    57   7.00000 -1.0 2.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43  -0.95700  1.0 1.0
   39    33    37    43  -0.18200 -1.0 2.0
   39    33    37    43   0.29450  1.0 3.0
   39    33    37    45   0.56750  1.0 1.0
   39    33    37    45  -0.07550 -1.0 2.0
   39    33    37    45   0.20000  1.0 3.0
   39    33    53    48   0.56750  1.0 1.0
   39    33    53    48  -0.07550 -1.0 2.0
   39    33    53    48   0.20000  1.0 3.0
   39    33    53    54   0.15000  1.0 3.0
   39    33    53    58   0.62750  1.0 1.0
   39    33    53    58  -0.30950 -1.0 2.0
   39    33    53    58   0.27300  1.0 3.0
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
   37    48    43    44  10.50000 -1.0 2.0
   58    61    59    60  10.50000 -1.0 2.0
   63    67    66    76  15.00000 -1.0 2.0
   77    81    76    66  15.00000 -1.0 2.0
   45    52    51    55  15.00000 -1.0 2.0
   56    57    55    51  15.00000 -1.0 2.0
END
