* LIGAND DATABASE FILE (OPLS2005)
*
001      86    87    157    237     461
    1     0 S   NP   _N1_     1    31.45957    94.84906   -29.12830
    2     1 S   H    _HN1     2     1.03028   100.86698   -13.15349
    3     1 S   H    _H1_     3     1.02798    27.76790  -119.29105
    4     1 S   H    _H2_     4     1.02826   134.23774  -141.93528
    5     1 S   CT   _CA1     5     1.50307    88.89353    97.48161
    6     5 S   HC   _HA1     6     1.09542   105.27550    76.67485
    7     5 S   CO3  _C1_     7     1.53688   112.61335   -43.86249
    8     7 S   O2Z  _O11     8     1.26388   114.94527   -35.86991
    9     7 S   O2Z  _O12     9     1.26221   115.03435   143.27015
   10     5 S   CT   _CB1    10     1.52832   107.11192  -165.07632
   11    10 S   HC   HB11    11     1.09810   109.14471   -47.01119
   12    10 S   HC   HB12    12     1.09670   110.07486    69.65610
   13    10 S   CT   _CG1    13     1.52909   113.69294  -168.35583
   14    13 S   HC   HG11    14     1.09552   110.71541   -67.53763
   15    13 S   HC   HG12    15     1.09629   110.08362    52.22930
   16    13 S   C    _CD1    16     1.51827   111.24898   172.26513
   17    16 S   O    _OE1    17     1.22795   123.05651     4.25358
   18    16 S   N    _N2_    18     1.38596   112.17249  -175.51961
   19    18 S   H    _HN2    19     1.01584   119.12561     0.98556
   20    18 S   CT1  _CA2    20     1.46093   122.93807   176.96901
   21    20 S   HC   _HA2    21     1.09575   109.32534     1.44672
   22    20 S   C    _C2_    22     1.53592   109.11739  -113.44839
   23    22 S   O    _O2_    23     1.23080   122.10623  -151.04258
   24    20 S   CT   _CB2    32     1.53282   112.13814   123.78940
   25    24 S   HC   HB21    33     1.09695   109.23856    65.86128
   26    24 S   HC   HB22    34     1.09507   110.86167  -177.85342
   27    22 S   N    _N3_    24     1.38283   113.85613    36.49173
   28    27 S   H    _HN3    25     1.01589   119.59217    -3.58692
   29    24 S   S    _SG2    35     1.83029   115.90318   -53.53655
   30    27 S   CT   _CA3    26     1.45287   123.18376   176.97470
   31    30 S   HC   HA31    27     1.09550   107.53082   -64.04264
   32    30 S   HC   HA32    28     1.09558   107.95773    52.38550
   33    29 S   CT   _C23    36     1.84456   102.31972   -57.09227
   34    33 S   HC   _H3_    37     1.09314   107.73660    52.73188
   35    30 S   CO3  _C3_    29     1.52947   114.09755   174.37946
   36    35 S   O2Z  _O31    30     1.26368   116.06417    -0.25488
   37    35 S   O2Z  _O32    31     1.26426   114.41477   179.80218
   38    33 S   CT   _C21    38     1.53011   109.99062   -65.15697
   39    38 S   HC   _H47    39     1.09505   112.21878   -56.58657
   40    38 S   HC   _H48    40     1.09581   110.48494  -176.71020
   41    38 S   HC   _H49    41     1.09447   111.62116    64.95885
   42    33 S   CT   _C22    42     1.55060   112.67893   170.34441
   43    42 S   HC   _H50    43     1.09971   106.92737   173.22321
   44    42 S   CO4  _C12    44     1.52408   111.31490   -70.64739
   45    44 S   O    _O23    45     1.22391   124.63340    66.42212
   46    42 S   CT   _C20    83     1.52936   116.02338    54.68422
   47    46 S   HC   _H44    84     1.09459   112.36203   -66.23795
   48    46 S   HC   _H45    85     1.09633   110.12607   175.06319
   49    46 S   HC   _H46    86     1.09386   111.47092    55.78515
   50    44 S   OS   _O26    46     1.36628   109.95072  -115.32656
   51    50 S   CT   _C17    47     1.45278   117.13054  -175.82857
   52    51 S   HC   _H37    48     1.09769   109.15613   -34.93184
   53    51 S   CT   _C13    49     1.55800   105.62747    84.15424
   54    53 S   HC   _H32    50     1.09939   108.02429    56.79672
   55    53 S   HC   _H33    51     1.09802   109.58398   -55.72269
   56    51 S   CT   _C15    64     1.56131   108.43395  -153.64123
   57    56 S   HC   _H35    65     1.09760   108.16557   -69.40295
   58    53 S   CM   _C6_    52     1.51137   116.00228  -178.74899
   59    56 S   CM   _C9_    66     1.49427   115.56275    52.23445
   60    58 S   CM   _C4_    53     1.34511   119.42224  -104.73025
   61    60 S   HC   _H28    54     1.08541   121.66410    -5.24419
   62    59 S   CO4  _C10    67     1.47143   110.80931   114.01849
   63    62 S   O    _O22    68     1.21788   127.20695  -176.34591
   64    59 S   CM   _C11    70     1.33695   128.43974   -70.06666
   65    64 S   HC   _H30    71     1.08460   121.09666     1.62003
   66    64 S   HC   _H31    72     1.08534   121.82543  -178.19637
   67    58 S   CT   _C18    79     1.50503   115.69318    74.25647
   68    67 S   HC   _H38    80     1.09230   110.96696   -56.60023
   69    67 S   HC   _H39    81     1.09344   113.13972  -177.69437
   70    67 S   HC   _H40    82     1.09525   109.69937    62.59833
   71    60 S   CO4  _C8_    55     1.47577   122.50166   167.42328
   72    71 S   O    _O21    56     1.22686   120.72828    99.34814
   73    83 S   OS   _O24    69     1.44166   110.45458    87.23984
   74    71 S   CM   _C5_    57     1.49935   118.43580   -80.37631
   75    74 S   HC   _H29    58     1.09024   110.93386   164.20336
   76    74 S   CM   _C7_    59     1.35202   131.14992   -15.25172
   77    76 S   CT   _C14    60     1.52211   125.49999    -2.95929
   78    77 S   HC   _H34    61     1.09061   108.62056   -30.38209
   79    76 S   CT   _C19    75     1.51087   118.83513   176.34269
   80    79 S   HC   _H41    76     1.09454   110.66396   115.39714
   81    79 S   HC   _H42    77     1.09541   112.36977    -4.55703
   82    79 S   HC   _H43    78     1.09454   110.46672  -124.14453
   83    77 S   CT   _C16    62     1.54402   111.73420    91.33106
   84    83 S   HC   _H36    63     1.09148   109.81911   -27.35727
   85    77 S   OH   _O25    73     1.42801   111.73465  -144.45891
   86    85 S   HO   _H52    74     0.97272   107.59396    56.13254
  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  10   5   4   3
  14   8   2   1   1   7   3   2   1   9   7  10   3   4   2   1
   1  10  16   8  14   5   4  15   7   9   9  10   4   8   3   4
   1   1   4   2   1   1   6   3   6  10   3  10   9   5   5   2
   1   1   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    50    46    47    48    49  
   38    39    40    41    42    43    44    46  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46  
   40    41    42  
   41    42  
   42  
   43    44    45    50    51    46    47    48    49  
   44    45    50    46    47    48    49  
   45    50    51    52    53    56    46    47    48    49  
   50    51    46  
   47    48    49    50  
   48    49  
   49  
    0  
   51    52    53    54    55    58    83    56    57    59  
   52    53    54    55    58    60    77    83    84    56    57    59    62    73    64    67  
   53    54    55    58    83    56    57    59  
   54    55    58    60    61    71    83    56    57    59    67    68    69    70  
   55    58    60    56    67  
   58    60    56    67  
   57    59    62    63    73    64    65    66    85    58    76    77    78    83    84  
   59    62    73    64    77    83    84  
   60    61    71    72    74    67    68    69    70  
   62    63    73    64    65    66    77    83    84  
   61    71    72    74    75    76    67    68    69    70  
   71    72    74    67  
   63    73    64    65    66    77    83    84  
   73    64    83  
   65    66    73    83  
   66  
    0  
   68    69    70    71  
   69    70  
   70  
    0  
   72    74    75    76    77    79  
   74    75    76  
   85    76    77    78    83    84  
   75    76    77    78    83    85    79    80    81    82  
   76    77    79  
   77    78    83    84    85    86    79    80    81    82  
   78    83    84    85    86    79    80    81    82  
   83    84    85    86    79  
   80    81    82    83    85  
   81    82  
   82  
    0  
   84    85    86  
   85  
   86  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   85   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   86   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   317.000  1.522
   42    46   268.000  1.529
   44    45   570.000  1.229
   44    50   214.000  1.327
   50    51   320.000  1.410
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    56   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   317.000  1.510
   58    60   549.000  1.340
   58    67   317.000  1.510
   60    61   340.000  1.080
   60    71   320.000  1.462
   71    72   570.000  1.229
   71    74   320.000  1.462
   74    75   340.000  1.080
   74    76   549.000  1.340
   76    77   317.000  1.510
   76    79   317.000  1.510
   77    78   340.000  1.090
   77    83   268.000  1.529
   77    85   320.000  1.410
   83    84   340.000  1.090
   83    56   268.000  1.529
   83    73   320.000  1.410
   56    57   340.000  1.090
   56    59   317.000  1.510
   59    62   320.000  1.462
   59    64   549.000  1.340
   62    63   570.000  1.229
   62    73   214.000  1.327
   64    65   340.000  1.080
   64    66   340.000  1.080
   85    86   553.000  0.945
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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    42    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    63.00000  111.10000
   33    42    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    44    45    80.00000  120.40000
   42    44    50    81.00000  111.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   44    42    43    35.00000  109.50000
   44    50    51    83.00000  116.90000
   50    44    45    83.00000  123.40000
   50    51    52    35.00000  109.50000
   50    51    53    50.00000  109.50000
   50    51    56    50.00000  109.50000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    58    70.00000  112.02700
   51    56    83    58.35000  112.70000
   51    56    57    37.50000  110.70000
   51    56    59    70.00000  112.02700
   53    51    52    37.50000  110.70000
   53    58    60    70.00000  124.00000
   53    58    67    65.00000  117.92700
   55    53    54    33.00000  107.80000
   58    53    54    35.00000  109.50000
   58    53    55    35.00000  109.50000
   58    60    61    35.00000  120.00000
   58    60    71    65.00000  118.96000
   58    67    68    35.00000  109.50000
   58    67    69    35.00000  109.50000
   58    67    70    35.00000  109.50000
   60    71    72    80.00000  123.72100
   60    71    74    65.00000  118.65900
   71    60    61    40.00000  117.72500
   71    74    75    40.00000  117.72500
   71    74    76    65.00000  118.96000
   74    71    72    80.00000  123.72100
   74    76    77    70.00000  124.00000
   74    76    79    70.00000  124.00000
   76    74    75    35.00000  120.00000
   76    77    78    35.00000  109.50000
   76    77    83    70.00000  112.02700
   76    77    85    90.00000  110.39200
   76    79    80    35.00000  109.50000
   76    79    81    35.00000  109.50000
   76    79    82    35.00000  109.50000
   77    83    84    37.50000  110.70000
   77    83    56    58.35000  112.70000
   77    83    73    50.00000  109.50000
   77    85    86    55.00000  108.50000
   83    77    78    37.50000  110.70000
   83    56    57    37.50000  110.70000
   83    56    59    70.00000  112.02700
   83    73    62    83.00000  116.90000
   56    51    52    37.50000  110.70000
   56    51    53    58.35000  112.70000
   56    83    84    37.50000  110.70000
   56    59    62    65.00000  116.34900
   56    59    64    70.00000  124.00000
   59    56    57    35.00000  109.50000
   59    62    63    80.00000  123.72100
   59    62    73    90.00000  111.29400
   59    64    65    35.00000  120.00000
   59    64    66    35.00000  120.00000
   73    83    84    35.00000  109.50000
   73    83    56    50.00000  109.50000
   73    62    63    83.00000  123.40000
   64    59    62    65.00000  118.96000
   66    64    65    35.00000  117.00000
   85    77    78    35.00000  109.50000
   85    77    83    50.00000  109.50000
   79    76    77    65.00000  117.92700
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   67    58    60    70.00000  124.00000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   46    42    43    37.50000  110.70000
   46    42    44    63.00000  111.10000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.56750  1.0 1.0
   29    33    42    44  -0.07550 -1.0 2.0
   29    33    42    44   0.20000  1.0 3.0
   29    33    42    46   0.44750  1.0 1.0
   29    33    42    46  -0.17800 -1.0 2.0
   29    33    42    46   0.20200  1.0 3.0
   33    42    44    45   0.30150 -1.0 2.0
   33    42    44    50   0.36750  1.0 3.0
   33    42    46    47   0.15000  1.0 3.0
   33    42    46    48   0.15000  1.0 3.0
   33    42    46    49   0.15000  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    41   0.15000  1.0 3.0
   34    33    42    43   0.15000  1.0 3.0
   34    33    42    44  -0.11250  1.0 3.0
   34    33    42    46   0.15000  1.0 3.0
   38    33    42    43   0.15000  1.0 3.0
   38    33    42    44  -0.95700  1.0 1.0
   38    33    42    44  -0.18200 -1.0 2.0
   38    33    42    44   0.29450  1.0 3.0
   38    33    42    46   0.56750  1.0 1.0
   38    33    42    46  -0.07550 -1.0 2.0
   38    33    42    46   0.20000  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    44    50    51   1.63150  1.0 1.0
   42    44    50    51   2.92000 -1.0 2.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    50   0.00000  1.0 1.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    49   0.15000  1.0 3.0
   44    42    46    47  -0.11250  1.0 3.0
   44    42    46    48  -0.11250  1.0 3.0
   44    42    46    49  -0.11250  1.0 3.0
   44    50    51    52   0.08050  1.0 3.0
   44    50    51    53  -0.25900  1.0 1.0
   44    50    51    53  -0.47000 -1.0 2.0
   44    50    51    53   0.11750  1.0 3.0
   44    50    51    56  -0.25900  1.0 1.0
   44    50    51    56  -0.47000 -1.0 2.0
   44    50    51    56   0.11750  1.0 3.0
   45    44    50    51   3.00000 -1.0 2.0
   50    51    53    54   0.23400  1.0 3.0
   50    51    53    55   0.23400  1.0 3.0
   50    51    53    58   0.61850  1.0 1.0
   50    51    53    58  -0.22750 -1.0 2.0
   50    51    53    58   0.15300  1.0 3.0
   50    51    56    83   0.62750  1.0 1.0
   50    51    56    83  -0.30950 -1.0 2.0
   50    51    56    83   0.27300  1.0 3.0
   50    51    56    57   0.23400  1.0 3.0
   50    51    56    59   0.61850  1.0 1.0
   50    51    56    59  -0.22750 -1.0 2.0
   50    51    56    59   0.15300  1.0 3.0
   51    53    58    60   0.09850  1.0 1.0
   51    53    58    60   0.15250 -1.0 2.0
   51    53    58    60  -0.50650  1.0 3.0
   51    53    58    67   0.46850  1.0 1.0
   51    53    58    67   0.08550 -1.0 2.0
   51    53    58    67   0.09800  1.0 3.0
   51    56    59    62   0.09700  1.0 1.0
   51    56    59    62   0.15600 -1.0 2.0
   51    56    59    62  -0.50800  1.0 3.0
   51    56    59    64   0.09850  1.0 1.0
   51    56    59    64   0.15250 -1.0 2.0
   51    56    59    64  -0.50650  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    58   0.15000  1.0 3.0
   52    51    56    83   0.15000  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    59   0.15000  1.0 3.0
   53    51    56    83   0.56750  1.0 1.0
   53    51    56    83  -0.07550 -1.0 2.0
   53    51    56    83   0.20000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    59   0.34400  1.0 1.0
   53    51    56    59   0.09450 -1.0 2.0
   53    51    56    59   0.11100  1.0 3.0
   53    58    60    61   7.00000 -1.0 2.0
   53    58    60    71   7.00000 -1.0 2.0
   53    58    67    68   0.34800  1.0 3.0
   53    58    67    69   0.34800  1.0 3.0
   53    58    67    70   0.34800  1.0 3.0
   54    53    58    60   0.00000  1.0 1.0
   54    53    58    67   0.34800  1.0 3.0
   55    53    58    60   0.00000  1.0 1.0
   55    53    58    67   0.34800  1.0 3.0
   58    60    71    72   1.00000 -1.0 2.0
   58    60    71    74  -1.18350  1.0 1.0
   58    60    71    74   1.45950 -1.0 2.0
   60    58    67    68   0.00000  1.0 1.0
   60    58    67    69   0.00000  1.0 1.0
   60    58    67    70   0.00000  1.0 1.0
   60    71    74    75   0.93700 -1.0 2.0
   60    71    74    76  -1.18350  1.0 1.0
   60    71    74    76   1.45950 -1.0 2.0
   61    60    71    72   0.00000  1.0 1.0
   61    60    71    74   0.93700 -1.0 2.0
   71    74    76    77   7.00000 -1.0 2.0
   71    74    76    79   7.00000 -1.0 2.0
   72    71    74    75   0.00000  1.0 1.0
   72    71    74    76   1.00000 -1.0 2.0
   74    76    77    78   0.00000  1.0 1.0
   74    76    77    83   0.09850  1.0 1.0
   74    76    77    83   0.15250 -1.0 2.0
   74    76    77    83  -0.50650  1.0 3.0
   74    76    77    85   0.67800  1.0 1.0
   74    76    77    85   0.47050 -1.0 2.0
   74    76    77    85  -0.62500  1.0 3.0
   74    76    79    80   0.00000  1.0 1.0
   74    76    79    81   0.00000  1.0 1.0
   74    76    79    82   0.00000  1.0 1.0
   75    74    76    77   7.00000 -1.0 2.0
   75    74    76    79   7.00000 -1.0 2.0
   76    77    83    84   0.15000  1.0 3.0
   76    77    83    56   0.34400  1.0 1.0
   76    77    83    56   0.09450 -1.0 2.0
   76    77    83    56   0.11100  1.0 3.0
   76    77    83    73   0.61850  1.0 1.0
   76    77    83    73  -0.22750 -1.0 2.0
   76    77    83    73   0.15300  1.0 3.0
   76    77    85    86  -0.07800  1.0 1.0
   76    77    85    86  -0.21500 -1.0 2.0
   76    77    85    86  -0.03150  1.0 3.0
   77    76    79    80   0.34800  1.0 3.0
   77    76    79    81   0.34800  1.0 3.0
   77    76    79    82   0.34800  1.0 3.0
   77    83    56    51   0.56750  1.0 1.0
   77    83    56    51  -0.07550 -1.0 2.0
   77    83    56    51   0.20000  1.0 3.0
   77    83    56    57   0.15000  1.0 3.0
   77    83    56    59   0.34400  1.0 1.0
   77    83    56    59   0.09450 -1.0 2.0
   77    83    56    59   0.11100  1.0 3.0
   77    83    73    62  -0.25900  1.0 1.0
   77    83    73    62  -0.47000 -1.0 2.0
   77    83    73    62   0.11750  1.0 3.0
   78    77    83    84   0.15000  1.0 3.0
   78    77    83    56   0.15000  1.0 3.0
   78    77    83    73   0.23400  1.0 3.0
   78    77    85    86   0.19450  1.0 3.0
   83    77    85    86  -0.11600  1.0 1.0
   83    77    85    86  -0.09450 -1.0 2.0
   83    77    85    86   0.21250  1.0 3.0
   83    56   -59    62   0.09700  1.0 1.0
   83    56   -59    62   0.15600 -1.0 2.0
   83    56   -59    62  -0.50800  1.0 3.0
   83    56    59    64   0.09850  1.0 1.0
   83    56    59    64   0.15250 -1.0 2.0
   83    56    59    64  -0.50650  1.0 3.0
   84    83    56    51   0.15000  1.0 3.0
   84    83    56    57   0.15000  1.0 3.0
   84    83    56    59   0.15000  1.0 3.0
   84    83    73    62   0.08050  1.0 3.0
   56    51    53    54   0.15000  1.0 3.0
   56    51    53    55   0.15000  1.0 3.0
   56    51    53    58   0.34400  1.0 1.0
   56    51    53    58   0.09450 -1.0 2.0
   56    51    53    58   0.11100  1.0 3.0
   56    83   -73    62  -0.25900  1.0 1.0
   56    83   -73    62  -0.47000 -1.0 2.0
   56    83   -73    62   0.11750  1.0 3.0
   56    59    62    63  -0.64400  1.0 1.0
   56    59    62    63   0.26850 -1.0 2.0
   56    59   -62    73  -0.15000  1.0 1.0
   56    59   -62    73   0.89550 -1.0 2.0
   56    59   -62    73  -0.06900  1.0 3.0
   56    59    64    65   7.00000 -1.0 2.0
   56    59    64    66   7.00000 -1.0 2.0
   57    56    59    62   0.15000  1.0 3.0
   57    56    59    64   0.00000  1.0 1.0
   59    62   -73    83   2.00000 -1.0 2.0
   62    59    64    65   7.00000 -1.0 2.0
   62    59    64    66   7.00000 -1.0 2.0
   63    62    73    83   3.00000 -1.0 2.0
   73    83    56    51   0.62750  1.0 1.0
   73    83    56    51  -0.30950 -1.0 2.0
   73    83    56    51   0.27300  1.0 3.0
   73    83    56    57   0.23400  1.0 3.0
   73    83   -56    59   0.61850  1.0 1.0
   73    83   -56    59  -0.22750 -1.0 2.0
   73    83   -56    59   0.15300  1.0 3.0
   64    59    62    63   1.00000 -1.0 2.0
   64    59    62    73  -0.56150  1.0 1.0
   64    59    62    73   2.19150 -1.0 2.0
   85    77    83    84   0.23400  1.0 3.0
   85    77    83    56   0.86500  1.0 1.0
   85    77    83    56  -0.17500 -1.0 2.0
   85    77    83    56   0.20800  1.0 3.0
   85    77    83    73   3.69350  1.0 1.0
   85    77    83    73  -1.82950 -1.0 2.0
   79    76    77    78   0.34800  1.0 3.0
   79    76    77    83   0.46850  1.0 1.0
   79    76    77    83   0.08550 -1.0 2.0
   79    76    77    83   0.09800  1.0 3.0
   79    76    77    85   0.18000  1.0 1.0
   79    76    77    85   0.16450 -1.0 2.0
   79    76    77    85   0.04450  1.0 3.0
   67    58    60    61   7.00000 -1.0 2.0
   67    58    60    71   7.00000 -1.0 2.0
   46    42    44    45   0.30150 -1.0 2.0
   46    42    44    50   0.36750  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
   37    30    35    36  10.50000 -1.0 2.0
   42    50    44    45  10.50000 -1.0 2.0
   53    67    58    60   1.10000 -1.0 2.0
   71    61    60    58   1.10000 -1.0 2.0
   60    74    71    72  10.50000 -1.0 2.0
   71    75    74    76   1.10000 -1.0 2.0
   77    79    76    74   1.10000 -1.0 2.0
   56    62    59    64   1.10000 -1.0 2.0
   59    73    62    63  10.50000 -1.0 2.0
   65    66    64    59   1.10000 -1.0 2.0
END
