* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    154    245     461
    1     0 S   NP   _N1_     1    28.70265    96.62791   -22.50462
    2     1 S   H    _HN1     2     1.02786    98.44548   -89.39903
    3     1 S   H    _H1_     3     1.02951    72.51425    17.28820
    4     1 S   H    _H2_     4     1.02828    41.23579   163.03470
    5     1 S   CT   _CA1     5     1.50114   145.38959   118.05629
    6     5 S   HC   _HA1     6     1.09574   105.19749    89.15051
    7     5 S   CO3  _C1_     7     1.53792   112.46152   -31.08038
    8     7 S   O2Z  _O11     8     1.26372   115.00932   -42.49156
    9     7 S   O2Z  _O12     9     1.26242   114.94808   136.63985
   10     5 S   CT   _CB1    10     1.53078   107.41542  -152.86934
   11    10 S   HC   HB11    11     1.09832   109.37387   -49.75465
   12    10 S   HC   HB12    12     1.09813   110.44359    66.85375
   13    10 S   CT   _CG1    13     1.52984   112.60535  -170.74074
   14    13 S   HC   HG11    14     1.09584   110.61154   -65.44282
   15    13 S   HC   HG12    15     1.09670   109.80513    53.78840
   16    13 S   C    _CD1    16     1.51798   112.24815   174.23088
   17    16 S   O    _OE1    17     1.22726   123.29262     5.96956
   18    16 S   N    _N2_    18     1.38650   111.64595  -174.07414
   19    18 S   H    _HN2    19     1.01574   118.94640     1.82831
   20    18 S   CT1  _CA2    20     1.46231   123.42356   177.74901
   21    20 S   HC   _HA2    21     1.09741   109.35963     2.92991
   22    20 S   C    _C2_    22     1.53590   108.58716  -112.51063
   23    22 S   O    _O2_    23     1.23058   122.31749  -148.01094
   24    20 S   CT   _CB2    32     1.53536   111.60039   124.94412
   25    24 S   HC   HB21    33     1.09438   109.38054    55.77218
   26    24 S   HC   HB22    34     1.09300   109.59779   174.85246
   27    22 S   N    _N3_    24     1.38343   113.71270    39.46175
   28    27 S   H    _HN3    25     1.01580   119.57907    -3.27769
   29    24 S   S    _SG2    35     1.82809   111.05773   -64.66744
   30    27 S   CT   _CA3    26     1.45283   123.20777   177.12649
   31    30 S   HC   HA31    27     1.09549   107.51198   -64.52428
   32    30 S   HC   HA32    28     1.09557   107.98171    51.91045
   33    29 S   CT   _C17    36     1.86010   102.48409  -173.69339
   34    30 S   CO3  _C3_    29     1.52958   114.08982   173.91008
   35    34 S   O2Z  _O31    30     1.26375   116.07727    -0.58751
   36    34 S   O2Z  _O32    31     1.26430   114.41051   179.46845
   37    33 S   CT   _C12    37     1.57851   108.84387  -168.85715
   38    37 S   HC   _H32    38     1.10207   106.72173    31.82841
   39    33 S   CT   _C20    77     1.54022   109.26036    67.42899
   40    39 S   HC   _H43    78     1.09444   112.37194   -69.57007
   41    39 S   HC   _H44    79     1.09547   111.34345   170.99460
   42    39 S   HC   _H45    80     1.09506   112.29762    51.10845
   43    37 S   CT   _C10    39     1.56470   105.66835   143.22065
   44    43 S   HC   _H30    40     1.10181   106.00670  -110.99357
   45    37 S   CT   _C14    54     1.54413   116.42203   -86.34142
   46    45 S   HC   _H34    55     1.09709   110.58074   -66.44645
   47    43 S   CM   _C4_    41     1.51498   117.07548   131.81023
   48    43 S   CT   _C9_    70     1.53524   105.46358    -0.20174
   49    48 S   HC   _H28    71     1.09486   113.51863    92.89114
   50    48 S   HC   _H29    72     1.09608   111.92009  -146.68381
   51    47 S   CT   _C8_    42     1.50919   115.32760    67.43719
   52    51 S   HC   _H26    43     1.09822   110.30927    36.58977
   53    51 S   HC   _H27    44     1.09870   109.70867   150.24002
   54    47 S   CM   _C6_    67     1.34375   125.53657  -115.70877
   55    54 S   HC   _H24    68     1.08238   123.24202     1.65777
   56    54 S   HC   _H25    69     1.08638   120.86103  -178.64998
   57    33 S   CT   _C16    73     1.54432   111.16801   -57.40912
   58    57 S   HC   _H36    74     1.09760   111.62304   -40.03766
   59    51 S   CT   _C15    45     1.53228   113.48198   -87.42741
   60    59 S   HC   _H35    46     1.09844   110.18717   -56.69519
   61    57 S   OH   _O21    75     1.41699   113.66240    83.46424
   62    61 S   HO   _H46    76     0.97253   107.59207   175.13007
   63    59 S   CT   _C13    47     1.53842   113.02420    65.29240
   64    63 S   HC   _H33    48     1.09945   109.26128    58.47093
   65    59 S   OS   _O22    60     1.44723   107.34117  -175.67650
   66    63 S   CT   _C11    49     1.53472   113.16523   178.86151
   67    66 S   HC   _H31    50     1.09637   111.18345    37.51102
   68    65 S   CO4  _C7_    61     1.36323   117.47917    86.72103
   69    68 S   O    _O19    62     1.22309   126.40755    -0.29007
   70    66 S   CO4  _C5_    51     1.50496   102.28948   152.09705
   71    70 S   O    _O18    52     1.22131   126.02105   164.53570
   72    66 S   CT   _C19    56     1.52256   114.19984   -88.60622
   73    72 S   HC   _H40    57     1.09573   111.40680   -55.65253
   74    72 S   HC   _H41    58     1.09576   110.60691  -174.67417
   75    72 S   HC   _H42    59     1.09233   111.92110    65.68242
   76    68 S   CT   _C18    63     1.49835   109.50298   179.66080
   77    76 S   HC   _H37    64     1.09281   109.82717   -62.38341
   78    76 S   HC   _H38    65     1.09378   109.35778   178.50472
   79    76 S   HC   _H39    66     1.09293   109.84569    59.53805
   80    70 S   OS   _O20    53     1.36103   109.82794   -16.39473
  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
  20   2   1   1  24  10   9   3   2   1  19   8  16   6  14   8
   4   3  12   6   5   3   1   1   3   2  12   5   1   1  12   6
   7   8   7   5   4   6   2   4   2   1   1   3   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    57    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    45    48    57    58    61    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    47    63    80    45    46    48    49    50    57    58    61    62    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    47    51    59    63    64    66    70    80    45    46    54    48    49    50    57    58    61    39    40    41    42  
   43    44    47    63    80    45    46    48    57    39  
   40    41    42    43    45    48    57    58    61  
   41    42    57  
   42    57  
   57  
   44    47    51    52    53    59    63    80    45    46    54    55    56    48    49    50    57    58    61  
   47    51    45    54    48    49    50    57  
   46    72    65    48    57    47    51    59    60    63    64    66    67    70    71    80  
   59    63    64    66    70    80  
   51    52    53    59    60    63    65    54    55    56    48    49    50    57  
   49    50    57    58    61    62    51    54  
   50    57    58    61  
   57    58    61  
   52    53    59    60    63    64    66    65    68    54    55    56  
   53    59    60    63    65    54  
   59    60    63    65    54  
   55    56    59  
   56  
    0  
   58    61    62  
   61    62  
   60    63    64    66    67    70    80    72    65    68    69    76  
   63    64    66    65    68  
   62  
    0  
   64    66    67    70    71    80    72    73    74    75    65    68  
   66    67    70    80    72    65  
   68    69    76    77    78    79    66  
   67    70    71    80    72    73    74    75  
   70    71    80    72    73    74    75  
   69    76    77    78    79  
   76    77    78    79  
   71    80    72    73    74    75  
   80    72  
   73    74    75    80  
   74    75  
   75  
    0  
   77    78    79  
   78    79  
   79  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   80   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    57   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   268.000  1.529
   37    45   268.000  1.529
   43    44   340.000  1.090
   43    47   317.000  1.510
   43    48   268.000  1.529
   47    51   317.000  1.510
   47    54   549.000  1.340
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    59   268.000  1.529
   59    60   340.000  1.090
   59    63   268.000  1.529
   59    65   320.000  1.410
   63    64   340.000  1.090
   63    66   268.000  1.529
   63    45   268.000  1.529
   66    67   340.000  1.090
   66    70   317.000  1.522
   66    72   268.000  1.529
   70    71   570.000  1.229
   70    80   214.000  1.327
   80    45   320.000  1.410
   45    46   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   65    68   214.000  1.327
   68    69   570.000  1.229
   68    76   317.000  1.522
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   54    55   340.000  1.080
   54    56   340.000  1.080
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    57   268.000  1.529
   57    58   340.000  1.090
   57    61   320.000  1.410
   61    62   553.000  0.945
   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    57    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    58.35000  112.70000
   33    37    45    58.35000  112.70000
   33    57    48    58.35000  112.70000
   33    57    58    37.50000  110.70000
   33    57    61    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    37.50000  110.70000
   37    43    47    70.00000  112.02700
   37    43    48    58.35000  112.70000
   37    45    63    58.35000  112.70000
   37    45    80    50.00000  109.50000
   37    45    46    37.50000  110.70000
   43    37    38    37.50000  110.70000
   43    47    51    65.00000  117.92700
   43    47    54    70.00000  124.00000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    57    58.35000  112.70000
   47    43    44    35.00000  109.50000
   47    51    52    35.00000  109.50000
   47    51    53    35.00000  109.50000
   47    51    59    70.00000  112.02700
   47    54    55    35.00000  120.00000
   47    54    56    35.00000  120.00000
   51    59    60    37.50000  110.70000
   51    59    63    58.35000  112.70000
   51    59    65    50.00000  109.50000
   53    51    52    33.00000  107.80000
   59    51    52    37.50000  110.70000
   59    51    53    37.50000  110.70000
   59    63    64    37.50000  110.70000
   59    63    66    58.35000  112.70000
   59    63    45    58.35000  112.70000
   59    65    68    83.00000  116.90000
   63    59    60    37.50000  110.70000
   63    66    67    37.50000  110.70000
   63    66    70    63.00000  111.10000
   63    66    72    58.35000  112.70000
   63    45    80    50.00000  109.50000
   63    45    46    37.50000  110.70000
   66    63    64    37.50000  110.70000
   66    70    71    80.00000  120.40000
   66    70    80    81.00000  111.40000
   66    72    73    37.50000  110.70000
   66    72    74    37.50000  110.70000
   66    72    75    37.50000  110.70000
   70    66    67    35.00000  109.50000
   70    80    45    83.00000  116.90000
   80    70    71    83.00000  123.40000
   80    45    46    35.00000  109.50000
   45    37    38    37.50000  110.70000
   45    37    43    58.35000  112.70000
   45    63    64    37.50000  110.70000
   45    63    66    58.35000  112.70000
   72    66    67    37.50000  110.70000
   72    66    70    63.00000  111.10000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   65    59    60    35.00000  109.50000
   65    59    63    50.00000  109.50000
   65    68    69    83.00000  123.40000
   65    68    76    81.00000  111.40000
   68    76    77    35.00000  109.50000
   68    76    78    35.00000  109.50000
   68    76    79    35.00000  109.50000
   76    68    69    80.00000  120.40000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   54    47    51    70.00000  124.00000
   56    54    55    35.00000  117.00000
   48    43    44    37.50000  110.70000
   48    43    47    70.00000  112.02700
   48    57    58    37.50000  110.70000
   48    57    61    50.00000  109.50000
   50    48    49    33.00000  107.80000
   57    33    37    58.35000  112.70000
   57    48    49    37.50000  110.70000
   57    48    50    37.50000  110.70000
   57    61    62    55.00000  108.50000
   61    57    58    35.00000  109.50000
   39    33    37    58.35000  112.70000
   39    33    57    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    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   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   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  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    57    48   0.44750  1.0 1.0
   29    33    57    48  -0.17800 -1.0 2.0
   29    33    57    48   0.20200  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    61   0.56750  1.0 1.0
   29    33    57    61  -0.07550 -1.0 2.0
   29    33    57    61   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   0.15000  1.0 3.0
   33    37    43    47   0.34400  1.0 1.0
   33    37    43    47   0.09450 -1.0 2.0
   33    37    43    47   0.11100  1.0 3.0
   33    37   -43    48   0.56750  1.0 1.0
   33    37   -43    48  -0.07550 -1.0 2.0
   33    37   -43    48   0.20000  1.0 3.0
   33    37    45    63   0.56750  1.0 1.0
   33    37    45    63  -0.07550 -1.0 2.0
   33    37    45    63   0.20000  1.0 3.0
   33    37    45    80   0.62750  1.0 1.0
   33    37    45    80  -0.30950 -1.0 2.0
   33    37    45    80   0.27300  1.0 3.0
   33    37    45    46   0.15000  1.0 3.0
   33    57    61    62  -0.11600  1.0 1.0
   33    57    61    62  -0.09450 -1.0 2.0
   33    57    61    62   0.21250  1.0 3.0
   37    33   -57    48   0.56750  1.0 1.0
   37    33   -57    48  -0.07550 -1.0 2.0
   37    33   -57    48   0.20000  1.0 3.0
   37    33    57    58   0.15000  1.0 3.0
   37    33    57    61   0.86500  1.0 1.0
   37    33    57    61  -0.17500 -1.0 2.0
   37    33    57    61   0.20800  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    47    51   0.46850  1.0 1.0
   37    43    47    51   0.08550 -1.0 2.0
   37    43    47    51   0.09800  1.0 3.0
   37    43    47    54   0.09850  1.0 1.0
   37    43    47    54   0.15250 -1.0 2.0
   37    43    47    54  -0.50650  1.0 3.0
   37    43    48    49   0.15000  1.0 3.0
   37    43    48    50   0.15000  1.0 3.0
   37    43   -48    57   0.56750  1.0 1.0
   37    43   -48    57  -0.07550 -1.0 2.0
   37    43   -48    57   0.20000  1.0 3.0
   38    37    43    44   0.15000  1.0 3.0
   38    37    43    47   0.15000  1.0 3.0
   38    37    43    48   0.15000  1.0 3.0
   38    37    45    63   0.15000  1.0 3.0
   38    37    45    80   0.23400  1.0 3.0
   38    37    45    46   0.15000  1.0 3.0
   43    37    45    63   0.56750  1.0 1.0
   43    37    45    63  -0.07550 -1.0 2.0
   43    37    45    63   0.20000  1.0 3.0
   43    37    45    80   0.62750  1.0 1.0
   43    37    45    80  -0.30950 -1.0 2.0
   43    37    45    80   0.27300  1.0 3.0
   43    37    45    46   0.15000  1.0 3.0
   43    47    51    52   0.34800  1.0 3.0
   43    47    51    53   0.34800  1.0 3.0
   43    47    51    59   0.46850  1.0 1.0
   43    47    51    59   0.08550 -1.0 2.0
   43    47    51    59   0.09800  1.0 3.0
   43    47    54    55   7.00000 -1.0 2.0
   43    47    54    56   7.00000 -1.0 2.0
   43    48   -57    33   0.56750  1.0 1.0
   43    48   -57    33  -0.07550 -1.0 2.0
   43    48   -57    33   0.20000  1.0 3.0
   43    48    57    58   0.15000  1.0 3.0
   43    48    57    61   0.86500  1.0 1.0
   43    48    57    61  -0.17500 -1.0 2.0
   43    48    57    61   0.20800  1.0 3.0
   44    43    47    51   0.34800  1.0 3.0
   44    43    47    54   0.00000  1.0 1.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.15000  1.0 3.0
   44    43    48    57   0.15000  1.0 3.0
   47    43    48    49   0.15000  1.0 3.0
   47    43    48    50   0.15000  1.0 3.0
   47    43    48    57   0.34400  1.0 1.0
   47    43    48    57   0.09450 -1.0 2.0
   47    43    48    57   0.11100  1.0 3.0
   47    51    59    60   0.15000  1.0 3.0
   47    51    59    63   0.34400  1.0 1.0
   47    51    59    63   0.09450 -1.0 2.0
   47    51    59    63   0.11100  1.0 3.0
   47    51    59    65   0.61850  1.0 1.0
   47    51    59    65  -0.22750 -1.0 2.0
   47    51    59    65   0.15300  1.0 3.0
   51    47    54    55   7.00000 -1.0 2.0
   51    47    54    56   7.00000 -1.0 2.0
   51    59    63    64   0.15000  1.0 3.0
   51    59    63    66   0.56750  1.0 1.0
   51    59    63    66  -0.07550 -1.0 2.0
   51    59    63    66   0.20000  1.0 3.0
   51    59    63    45   0.56750  1.0 1.0
   51    59    63    45  -0.07550 -1.0 2.0
   51    59    63    45   0.20000  1.0 3.0
   51    59    65    68  -0.25900  1.0 1.0
   51    59    65    68  -0.47000 -1.0 2.0
   51    59    65    68   0.11750  1.0 3.0
   52    51    59    60   0.15000  1.0 3.0
   52    51    59    63   0.15000  1.0 3.0
   52    51    59    65   0.23400  1.0 3.0
   53    51    59    60   0.15000  1.0 3.0
   53    51    59    63   0.15000  1.0 3.0
   53    51    59    65   0.23400  1.0 3.0
   59    63    66    67   0.15000  1.0 3.0
   59    63    66    70  -0.95700  1.0 1.0
   59    63    66    70  -0.18200 -1.0 2.0
   59    63    66    70   0.29450  1.0 3.0
   59    63    66    72   0.56750  1.0 1.0
   59    63    66    72  -0.07550 -1.0 2.0
   59    63    66    72   0.20000  1.0 3.0
   59    63    45    37   0.56750  1.0 1.0
   59    63    45    37  -0.07550 -1.0 2.0
   59    63    45    37   0.20000  1.0 3.0
   59    63    45    80   0.62750  1.0 1.0
   59    63    45    80  -0.30950 -1.0 2.0
   59    63    45    80   0.27300  1.0 3.0
   59    63    45    46   0.15000  1.0 3.0
   59    65    68    69   3.00000 -1.0 2.0
   59    65    68    76   1.63150  1.0 1.0
   59    65    68    76   2.92000 -1.0 2.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    66   0.15000  1.0 3.0
   60    59    63    45   0.15000  1.0 3.0
   60    59    65    68   0.08050  1.0 3.0
   63    59    65    68  -0.25900  1.0 1.0
   63    59    65    68  -0.47000 -1.0 2.0
   63    59    65    68   0.11750  1.0 3.0
   63    66    70    71   0.30150 -1.0 2.0
   63    66   -70    80   0.36750  1.0 3.0
   63    66    72    73   0.15000  1.0 3.0
   63    66    72    74   0.15000  1.0 3.0
   63    66    72    75   0.15000  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    70  -0.11250  1.0 3.0
   64    63    66    72   0.15000  1.0 3.0
   64    63    45    37   0.15000  1.0 3.0
   64    63    45    80   0.23400  1.0 3.0
   64    63    45    46   0.15000  1.0 3.0
   66    63    45    37   0.56750  1.0 1.0
   66    63    45    37  -0.07550 -1.0 2.0
   66    63    45    37   0.20000  1.0 3.0
   66    63   -45    80   0.62750  1.0 1.0
   66    63   -45    80  -0.30950 -1.0 2.0
   66    63   -45    80   0.27300  1.0 3.0
   66    63    45    46   0.15000  1.0 3.0
   66    70   -80    45   1.63150  1.0 1.0
   66    70   -80    45   2.92000 -1.0 2.0
   67    66    70    71   0.00000  1.0 1.0
   67    66    70    80   0.00000  1.0 1.0
   67    66    72    73   0.15000  1.0 3.0
   67    66    72    74   0.15000  1.0 3.0
   67    66    72    75   0.15000  1.0 3.0
   70    66    72    73  -0.11250  1.0 3.0
   70    66    72    74  -0.11250  1.0 3.0
   70    66    72    75  -0.11250  1.0 3.0
   70    80    45    37  -0.25900  1.0 1.0
   70    80    45    37  -0.47000 -1.0 2.0
   70    80    45    37   0.11750  1.0 3.0
   70    80   -45    63  -0.25900  1.0 1.0
   70    80   -45    63  -0.47000 -1.0 2.0
   70    80   -45    63   0.11750  1.0 3.0
   70    80    45    46   0.08050  1.0 3.0
   71    70    80    45   3.00000 -1.0 2.0
   45    37    43    44   0.15000  1.0 3.0
   45    37    43    47   0.34400  1.0 1.0
   45    37    43    47   0.09450 -1.0 2.0
   45    37    43    47   0.11100  1.0 3.0
   45    37    43    48   0.56750  1.0 1.0
   45    37    43    48  -0.07550 -1.0 2.0
   45    37    43    48   0.20000  1.0 3.0
   45    63    66    67   0.15000  1.0 3.0
   45    63   -66    70  -0.95700  1.0 1.0
   45    63   -66    70  -0.18200 -1.0 2.0
   45    63   -66    70   0.29450  1.0 3.0
   45    63    66    72   0.56750  1.0 1.0
   45    63    66    72  -0.07550 -1.0 2.0
   45    63    66    72   0.20000  1.0 3.0
   72    66    70    71   0.30150 -1.0 2.0
   72    66    70    80   0.36750  1.0 3.0
   65    59    63    64   0.23400  1.0 3.0
   65    59    63    66   0.62750  1.0 1.0
   65    59    63    66  -0.30950 -1.0 2.0
   65    59    63    66   0.27300  1.0 3.0
   65    59    63    45   0.62750  1.0 1.0
   65    59    63    45  -0.30950 -1.0 2.0
   65    59    63    45   0.27300  1.0 3.0
   65    68    76    77   0.00000  1.0 1.0
   65    68    76    78   0.00000  1.0 1.0
   65    68    76    79   0.00000  1.0 1.0
   69    68    76    77   0.00000  1.0 1.0
   69    68    76    78   0.00000  1.0 1.0
   69    68    76    79   0.00000  1.0 1.0
   54    47    51    52   0.00000  1.0 1.0
   54    47    51    53   0.00000  1.0 1.0
   54    47    51    59   0.09850  1.0 1.0
   54    47    51    59   0.15250 -1.0 2.0
   54    47    51    59  -0.50650  1.0 3.0
   48    43    47    51   0.46850  1.0 1.0
   48    43    47    51   0.08550 -1.0 2.0
   48    43    47    51   0.09800  1.0 3.0
   48    43    47    54   0.09850  1.0 1.0
   48    43    47    54   0.15250 -1.0 2.0
   48    43    47    54  -0.50650  1.0 3.0
   48    57    61    62  -0.11600  1.0 1.0
   48    57    61    62  -0.09450 -1.0 2.0
   48    57    61    62   0.21250  1.0 3.0
   49    48    57    33   0.15000  1.0 3.0
   49    48    57    58   0.15000  1.0 3.0
   49    48    57    61   0.23400  1.0 3.0
   50    48    57    33   0.15000  1.0 3.0
   50    48    57    58   0.15000  1.0 3.0
   50    48    57    61   0.23400  1.0 3.0
   57    33    37    38   0.15000  1.0 3.0
   57    33   -37    43   0.56750  1.0 1.0
   57    33   -37    43  -0.07550 -1.0 2.0
   57    33   -37    43   0.20000  1.0 3.0
   57    33    37    45   0.56750  1.0 1.0
   57    33    37    45  -0.07550 -1.0 2.0
   57    33    37    45   0.20000  1.0 3.0
   57    33    39    40   0.15000  1.0 3.0
   57    33    39    41   0.15000  1.0 3.0
   57    33    39    42   0.15000  1.0 3.0
   58    57    61    62   0.19450  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43   0.56750  1.0 1.0
   39    33    37    43  -0.07550 -1.0 2.0
   39    33    37    43   0.20000  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    57    48   0.56750  1.0 1.0
   39    33    57    48  -0.07550 -1.0 2.0
   39    33    57    48   0.20000  1.0 3.0
   39    33    57    58   0.15000  1.0 3.0
   39    33    57    61   0.86500  1.0 1.0
   39    33    57    61  -0.17500 -1.0 2.0
   39    33    57    61   0.20800  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
   43    51    47    54   1.10000 -1.0 2.0
   66    80    70    71  10.50000 -1.0 2.0
   65    76    68    69  10.50000 -1.0 2.0
   55    56    54    47   1.10000 -1.0 2.0
END
