* LIGAND DATABASE FILE (OPLS2005)
*
001      93    93    171    257     509
    1     0 S   NP   _N1_     1    29.01996    92.94402   -21.83548
    2     1 S   H    _HN1     2     1.02830    26.70184   113.35970
    3     1 S   H    _H1_     3     1.02791    90.25905  -114.29690
    4     1 S   H    _H2_     4     1.02951    94.84563    -5.88193
    5     1 S   CT   _CA1     5     1.50092   137.26498   121.57934
    6     5 S   HC   _HA1     6     1.09565   105.26902    55.36211
    7     5 S   CO3  _C1_     7     1.53832   112.35282   -65.05215
    8     7 S   O2Z  _O11     8     1.26376   115.03360   -45.13436
    9     7 S   O2Z  _O12     9     1.26233   114.92724   134.02627
   10     5 S   CT   _CB1    10     1.53044   107.42502   173.43192
   11    10 S   HC   HB11    11     1.09836   109.61308   -49.24028
   12    10 S   HC   HB12    12     1.09773   110.27336    67.26948
   13    10 S   CT   _CG1    13     1.53006   112.58924  -170.12317
   14    13 S   HC   HG11    14     1.09574   110.74910   -61.32144
   15    13 S   HC   HG12    15     1.09646   109.79057    57.97069
   16    13 S   C    _CD1    16     1.51699   112.07197   178.74026
   17    16 S   O    _OE1    17     1.22756   123.24016     7.93635
   18    16 S   N    _N2_    18     1.38681   111.90487  -172.47397
   19    18 S   H    _HN2    19     1.01570   118.96954     4.37488
   20    18 S   CT1  _CA2    20     1.46175   123.33668  -178.95564
   21    20 S   HC   _HA2    21     1.09624   108.80723    14.88653
   22    20 S   C    _C2_    22     1.53762   110.02147  -100.91591
   23    22 S   O    _O2_    23     1.23141   121.89858  -151.15694
   24    20 S   CT   _CB2    32     1.53530   111.55718   136.77856
   25    24 S   HC   HB21    33     1.09665   109.50163    63.31820
   26    24 S   HC   HB22    34     1.09576   111.14231  -179.36665
   27    22 S   N    _N3_    24     1.38181   114.35623    36.24375
   28    27 S   H    _HN3    25     1.01495   119.84100    -2.82584
   29    24 S   S    _SG2    35     1.82830   114.58218   -56.19108
   30    27 S   CT   _CA3    26     1.45309   123.19420   177.21653
   31    30 S   HC   HA31    27     1.09550   107.48248   -65.24583
   32    30 S   HC   HA32    28     1.09557   108.02692    51.20988
   33    29 S   CT   _C17    36     1.85015   100.55912   -70.02315
   34    33 S   HC   _H3_    37     1.09645   106.95392    -2.62361
   35    30 S   CO3  _C3_    29     1.52967   114.08068   173.21878
   36    35 S   O2Z  _O31    30     1.26380   116.07788    -1.08047
   37    35 S   O2Z  _O32    31     1.26433   114.40449   178.99128
   38    33 S   CT   _C10    38     1.53901   106.98960  -117.16537
   39    38 S   HC   _H31    39     1.09916   110.27706    49.87961
   40    38 S   HC   _H32    40     1.09323   112.19954   -67.29853
   41    33 S   CT   _C15    67     1.56679   109.53087   113.09026
   42    41 S   HC   _H38    68     1.09679   105.42618   -55.18389
   43    38 S   CO4  _C9_    41     1.51172   113.54993   166.93831
   44    43 S   O    _O23    42     1.22433   123.72486   -50.10174
   45    41 S   CT   _C22    69     1.53819   110.58943  -167.87706
   46    45 S   HC   _H51    70     1.09195   112.53398   -76.53224
   47    45 S   HC   _H52    71     1.09440   111.10820   162.97679
   48    45 S   HC   _H53    72     1.09527   110.87835    44.96741
   49    43 S   OS   _O24    43     1.36496   110.36803   131.47652
   50    49 S   CT   _C18    44     1.45437   117.57806   176.52999
   51    50 S   HC   _H41    45     1.09885   109.05760    35.04718
   52    50 S   CT   _C12    46     1.55338   107.97441   152.81337
   53    52 S   HC   _H35    47     1.09779   108.80591    53.85163
   54    50 S   CT   _C24    87     1.54120   108.28493   -82.69191
   55    54 S   HC   _H57    88     1.09683   108.90512    59.70517
   56    54 S   HC   _H58    89     1.09529   110.29469   175.94783
   57    52 S   CM   _C7_    48     1.51581   109.78889   -64.63370
   58    57 S   HC   _H30    49     1.08874   116.57549   -59.45699
   59    52 S   CT   _C19    83     1.53033   112.88692   174.29291
   60    59 S   HC   _H42    84     1.09586   111.42503    53.88307
   61    59 S   HC   _H43    85     1.09426   111.34097   -66.83198
   62    59 S   HC   _H44    86     1.09623   111.06025   174.11610
   63    54 S   CT   _C23    90     1.52376   114.24802   -60.21436
   64    63 S   HC   _H54    91     1.09361   111.60174   -64.11795
   65    63 S   HC   _H55    92     1.09492   109.89176   176.65549
   66    63 S   HC   _H56    93     1.09429   111.42322    57.28371
   67    57 S   CM   _C6_    50     1.34167   123.60248   117.81216
   68    67 S   HC   _H29    51     1.08734   119.62139     1.12431
   69    67 S   CM   _C4_    52     1.44529   122.74783  -173.97211
   70    69 S   HC   _H27    53     1.08773   117.27966    -7.56699
   71    69 S   CM   _C5_    54     1.33967   122.19889   166.34750
   72    71 S   HC   _H28    55     1.08359   122.82948     1.30266
   73    71 S   CO4  _C8_    56     1.48744   118.18772  -168.52465
   74    73 S   O    _O22    57     1.23031   120.59304   -48.77802
   75    73 S   CT   _C13    58     1.53205   118.02662   131.71642
   76    75 S   HC   _H36    59     1.09696   106.58141  -156.89838
   77    75 S   CT   _C11    60     1.54588   113.91044   -37.53764
   78    77 S   HC   _H33    61     1.09543   108.77308    62.33632
   79    77 S   HC   _H34    62     1.09838   109.13508   176.53909
   80    75 S   CT   _C20    79     1.52724   108.79759    86.63479
   81    80 S   HC   _H45    80     1.09546   111.46046   -65.47281
   82    80 S   HC   _H46    81     1.09492   110.82324   174.08755
   83    80 S   HC   _H47    82     1.09552   110.87678    54.21026
   84    77 S   CT   _C14    63     1.55631   113.75633   -61.68366
   85    84 S   HC   _H37    64     1.09443   107.81592    34.87752
   86    84 S   CT   _C16    65     1.55775   111.21006   152.89797
   87    86 S   HC   _H39    66     1.09538   107.39687    59.59671
   88    84 S   CT   _C21    75     1.53226   109.83315   -82.55770
   89    88 S   HC   _H48    76     1.09506   110.99546   -68.12362
   90    88 S   HC   _H49    77     1.09346   111.54183   171.28041
   91    88 S   HC   _H50    78     1.09434   111.34334    52.10107
   92    86 S   OH   _O25    73     1.42606   108.36084   -54.75896
   93    92 S   HO   _H59    74     0.97030   108.05529   -64.55891
  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
  17   8   2   1   1  10   5   4  14   8   6   2   7   3   2   1
  10  17   8  14   8   8   5   4  10   4   4   2   1   1   3   2
   1   1   6   3   6   3   7   3  11   4  12   8  15   6   5   4
   2   1   1   9   7   7   3   4   2   1   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    86    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    49    84    86    87    41    42    45    46    47    48    92  
   38    39    40    43    86    41    42    45  
   36    37  
   37  
    0  
   39    40    43    44    49    50    86    41    42    45  
   40    43    44    49    41  
   43    44    49    41  
   42    45    46    47    48    92    93    88    43    77    84    85    86    87  
   45    46    47    48    92    84    86    87  
   44    49    50    51    52    54  
   49    50  
   46    47    48    92    84    86    87  
   47    48    86  
   48    86  
   86  
   50    51    52    53    57    59    54    55    56    63  
   51    52    53    57    58    67    59    60    61    62    54    55    56    63    64    65    66  
   52    53    57    59    54    55    56    63  
   53    57    58    67    68    69    59    60    61    62    54    55    56    63  
   57    58    67    59    60    61    62    54  
   55    56    63    64    65    66    57    59  
   56    63    64    65    66  
   63    64    65    66  
   58    67    68    69    70    71    59    60    61    62  
   67    68    69    59  
   60    61    62    67  
   61    62  
   62  
    0  
   64    65    66  
   65    66  
   66  
    0  
   68    69    70    71    72    73  
   69    70    71  
   70    71    72    73    74    75  
   71    72    73  
   72    73    74    75    76    77    80  
   73    74    75  
   74    75    76    77    78    79    84    80    81    82    83  
   75    76    77    80  
   76    77    78    79    84    85    86    88    80    81    82    83  
   77    78    79    84    80    81    82    83  
   78    79    84    85    86    87    92    88    89    90    91    80    81    82    83  
   79    84    85    86    88    80  
   84    85    86    88    80  
   81    82    83    84  
   82    83  
   83  
    0  
   85    86    87    92    93    88    89    90    91  
   86    87    92    88    89    90    91  
   87    92    93    88    89    90    91  
   92    93    88  
   89    90    91    92  
   90    91  
   91  
    0  
   93  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   93   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    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   317.000  1.522
   43    44   570.000  1.229
   43    49   214.000  1.327
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    54   268.000  1.529
   52    53   340.000  1.090
   52    57   317.000  1.510
   52    59   268.000  1.529
   57    58   340.000  1.080
   57    67   549.000  1.340
   67    68   340.000  1.080
   67    69   380.000  1.444
   69    70   340.000  1.080
   69    71   549.000  1.340
   71    72   340.000  1.080
   71    73   320.000  1.462
   73    74   570.000  1.229
   73    75   317.000  1.522
   75    76   340.000  1.090
   75    77   268.000  1.529
   75    80   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    84   268.000  1.529
   84    85   340.000  1.090
   84    86   268.000  1.529
   84    88   268.000  1.529
   86    87   340.000  1.090
   86    41   268.000  1.529
   86    92   320.000  1.410
   41    42   340.000  1.090
   41    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   92    93   553.000  0.945
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    63.00000  111.10000
   33    41    86    58.35000  112.70000
   33    41    42    37.50000  110.70000
   33    41    45    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    43    44    80.00000  120.40000
   38    43    49    81.00000  111.40000
   40    38    39    33.00000  107.80000
   43    38    39    35.00000  109.50000
   43    38    40    35.00000  109.50000
   43    49    50    83.00000  116.90000
   49    43    44    83.00000  123.40000
   49    50    51    35.00000  109.50000
   49    50    52    50.00000  109.50000
   49    50    54    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    57    70.00000  112.02700
   50    52    59    58.35000  112.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    63    58.35000  112.70000
   52    50    51    37.50000  110.70000
   52    57    58    35.00000  117.00000
   52    57    67    70.00000  124.00000
   52    59    60    37.50000  110.70000
   52    59    61    37.50000  110.70000
   52    59    62    37.50000  110.70000
   57    52    53    35.00000  109.50000
   57    67    68    35.00000  120.00000
   57    67    69    70.00000  123.01800
   67    57    58    35.00000  120.00000
   67    69    70    35.00000  120.00000
   67    69    71    70.00000  123.01800
   69    67    68    35.00000  120.00000
   69    71    72    35.00000  120.00000
   69    71    73    65.00000  118.96000
   71    69    70    35.00000  120.00000
   71    73    74    80.00000  123.72100
   71    73    75    65.00000  118.62400
   73    71    72    40.00000  117.72500
   73    75    76    35.00000  109.50000
   73    75    77    63.00000  111.10000
   73    75    80    63.00000  111.10000
   75    73    74    80.00000  120.40000
   75    77    78    37.50000  110.70000
   75    77    79    37.50000  110.70000
   75    77    84    58.35000  112.70000
   75    80    81    37.50000  110.70000
   75    80    82    37.50000  110.70000
   75    80    83    37.50000  110.70000
   77    75    76    37.50000  110.70000
   77    84    85    37.50000  110.70000
   77    84    86    58.35000  112.70000
   77    84    88    58.35000  112.70000
   79    77    78    33.00000  107.80000
   84    77    78    37.50000  110.70000
   84    77    79    37.50000  110.70000
   84    86    87    37.50000  110.70000
   84    86    41    58.35000  112.70000
   84    86    92    50.00000  109.50000
   84    88    89    37.50000  110.70000
   84    88    90    37.50000  110.70000
   84    88    91    37.50000  110.70000
   86    84    85    37.50000  110.70000
   86    41    42    37.50000  110.70000
   86    41    45    58.35000  112.70000
   86    92    93    55.00000  108.50000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    86    87    37.50000  110.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    48    37.50000  110.70000
   45    41    42    37.50000  110.70000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   92    86    87    35.00000  109.50000
   92    86    41    50.00000  109.50000
   88    84    85    37.50000  110.70000
   88    84    86    58.35000  112.70000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   80    75    76    37.50000  110.70000
   80    75    77    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   59    52    53    37.50000  110.70000
   59    52    57    70.00000  112.02700
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   54    50    51    37.50000  110.70000
   54    50    52    58.35000  112.70000
   54    63    64    37.50000  110.70000
   54    63    65    37.50000  110.70000
   54    63    66    37.50000  110.70000
   56    54    55    33.00000  107.80000
   63    54    55    37.50000  110.70000
   63    54    56    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    41    86   0.44750  1.0 1.0
   29    33    41    86  -0.17800 -1.0 2.0
   29    33    41    86   0.20200  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    45   0.44750  1.0 1.0
   29    33    41    45  -0.17800 -1.0 2.0
   29    33    41    45   0.20200  1.0 3.0
   33    38    43    44   0.30150 -1.0 2.0
   33    38    43    49   0.36750  1.0 3.0
   33    41    45    46   0.15000  1.0 3.0
   33    41    45    47   0.15000  1.0 3.0
   33    41    45    48   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    43  -0.11250  1.0 3.0
   34    33    41    86   0.15000  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    45   0.15000  1.0 3.0
   38    33    41    86   0.56750  1.0 1.0
   38    33    41    86  -0.07550 -1.0 2.0
   38    33    41    86   0.20000  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    45   0.56750  1.0 1.0
   38    33    41    45  -0.07550 -1.0 2.0
   38    33    41    45   0.20000  1.0 3.0
   38    43    49    50   1.63150  1.0 1.0
   38    43    49    50   2.92000 -1.0 2.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    49   0.00000  1.0 1.0
   40    38    43    44   0.00000  1.0 1.0
   40    38    43    49   0.00000  1.0 1.0
   43    49    50    51   0.08050  1.0 3.0
   43    49    50    52  -0.25900  1.0 1.0
   43    49    50    52  -0.47000 -1.0 2.0
   43    49    50    52   0.11750  1.0 3.0
   43    49    50    54  -0.25900  1.0 1.0
   43    49    50    54  -0.47000 -1.0 2.0
   43    49    50    54   0.11750  1.0 3.0
   44    43    49    50   3.00000 -1.0 2.0
   49    50    52    53   0.23400  1.0 3.0
   49    50    52    57   0.61850  1.0 1.0
   49    50    52    57  -0.22750 -1.0 2.0
   49    50    52    57   0.15300  1.0 3.0
   49    50    52    59   0.62750  1.0 1.0
   49    50    52    59  -0.30950 -1.0 2.0
   49    50    52    59   0.27300  1.0 3.0
   49    50    54    55   0.23400  1.0 3.0
   49    50    54    56   0.23400  1.0 3.0
   49    50    54    63   0.62750  1.0 1.0
   49    50    54    63  -0.30950 -1.0 2.0
   49    50    54    63   0.27300  1.0 3.0
   50    52    57    58   0.00000  1.0 1.0
   50    52    57    67   0.09850  1.0 1.0
   50    52    57    67   0.15250 -1.0 2.0
   50    52    57    67  -0.50650  1.0 3.0
   50    52    59    60   0.15000  1.0 3.0
   50    52    59    61   0.15000  1.0 3.0
   50    52    59    62   0.15000  1.0 3.0
   50    54    63    64   0.15000  1.0 3.0
   50    54    63    65   0.15000  1.0 3.0
   50    54    63    66   0.15000  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    57   0.15000  1.0 3.0
   51    50    52    59   0.15000  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    63   0.15000  1.0 3.0
   52    50    54    55   0.15000  1.0 3.0
   52    50    54    56   0.15000  1.0 3.0
   52    50    54    63   0.56750  1.0 1.0
   52    50    54    63  -0.07550 -1.0 2.0
   52    50    54    63   0.20000  1.0 3.0
   52    57    67    68   7.00000 -1.0 2.0
   52    57    67    69   7.00000 -1.0 2.0
   53    52    57    58   0.33100  1.0 3.0
   53    52    57    67   0.00000  1.0 1.0
   53    52    59    60   0.15000  1.0 3.0
   53    52    59    61   0.15000  1.0 3.0
   53    52    59    62   0.15000  1.0 3.0
   57    52    59    60   0.15000  1.0 3.0
   57    52    59    61   0.15000  1.0 3.0
   57    52    59    62   0.15000  1.0 3.0
   57    67    69    70  -0.18600  1.0 3.0
   57    67    69    71   0.28850  1.0 1.0
   57    67    69    71   2.61350 -1.0 2.0
   57    67    69    71   0.78400  1.0 3.0
   58    57    67    68   7.00000 -1.0 2.0
   58    57    67    69   7.00000 -1.0 2.0
   67    69    71    72   7.00000 -1.0 2.0
   67    69    71    73   7.00000 -1.0 2.0
   68    67    69    70   0.00000  1.0 1.0
   68    67    69    71  -0.18600  1.0 3.0
   69    71    73    74   1.00000 -1.0 2.0
   69    71    73    75  -0.33500  1.0 1.0
   69    71    73    75   1.06600 -1.0 2.0
   69    71    73    75  -0.14000  1.0 3.0
   70    69    71    72   7.00000 -1.0 2.0
   70    69    71    73   7.00000 -1.0 2.0
   71    73    75    76   0.00000  1.0 1.0
   71    73    75    77   0.65300  1.0 1.0
   71    73    75    77  -0.03850 -1.0 2.0
   71    73    75    77   0.33900  1.0 3.0
   71    73    75    80   0.65300  1.0 1.0
   71    73    75    80  -0.03850 -1.0 2.0
   71    73    75    80   0.33900  1.0 3.0
   72    71    73    74   0.00000  1.0 1.0
   72    71    73    75   0.04550  1.0 1.0
   72    71    73    75   0.83000 -1.0 2.0
   72    71    73    75  -0.04000  1.0 3.0
   73    75    77    78  -0.11250  1.0 3.0
   73    75    77    79  -0.11250  1.0 3.0
   73    75    77    84  -0.95700  1.0 1.0
   73    75    77    84  -0.18200 -1.0 2.0
   73    75    77    84   0.29450  1.0 3.0
   73    75    80    81  -0.11250  1.0 3.0
   73    75    80    82  -0.11250  1.0 3.0
   73    75    80    83  -0.11250  1.0 3.0
   74    73    75    76   0.00000  1.0 1.0
   74    73    75    77   0.30150 -1.0 2.0
   74    73    75    80   0.30150 -1.0 2.0
   75    77    84    85   0.15000  1.0 3.0
   75    77    84    86   0.56750  1.0 1.0
   75    77    84    86  -0.07550 -1.0 2.0
   75    77    84    86   0.20000  1.0 3.0
   75    77    84    88   0.56750  1.0 1.0
   75    77    84    88  -0.07550 -1.0 2.0
   75    77    84    88   0.20000  1.0 3.0
   76    75    77    78   0.15000  1.0 3.0
   76    75    77    79   0.15000  1.0 3.0
   76    75    77    84   0.15000  1.0 3.0
   76    75    80    81   0.15000  1.0 3.0
   76    75    80    82   0.15000  1.0 3.0
   76    75    80    83   0.15000  1.0 3.0
   77    75    80    81   0.15000  1.0 3.0
   77    75    80    82   0.15000  1.0 3.0
   77    75    80    83   0.15000  1.0 3.0
   77    84    86    87   0.15000  1.0 3.0
   77    84    86    41   0.56750  1.0 1.0
   77    84    86    41  -0.07550 -1.0 2.0
   77    84    86    41   0.20000  1.0 3.0
   77    84    86    92   0.86500  1.0 1.0
   77    84    86    92  -0.17500 -1.0 2.0
   77    84    86    92   0.20800  1.0 3.0
   77    84    88    89   0.15000  1.0 3.0
   77    84    88    90   0.15000  1.0 3.0
   77    84    88    91   0.15000  1.0 3.0
   78    77    84    85   0.15000  1.0 3.0
   78    77    84    86   0.15000  1.0 3.0
   78    77    84    88   0.15000  1.0 3.0
   79    77    84    85   0.15000  1.0 3.0
   79    77    84    86   0.15000  1.0 3.0
   79    77    84    88   0.15000  1.0 3.0
   84    86    41    33   0.56750  1.0 1.0
   84    86    41    33  -0.07550 -1.0 2.0
   84    86    41    33   0.20000  1.0 3.0
   84    86    41    42   0.15000  1.0 3.0
   84    86    41    45   0.56750  1.0 1.0
   84    86    41    45  -0.07550 -1.0 2.0
   84    86    41    45   0.20000  1.0 3.0
   84    86    92    93  -0.11600  1.0 1.0
   84    86    92    93  -0.09450 -1.0 2.0
   84    86    92    93   0.21250  1.0 3.0
   85    84    86    87   0.15000  1.0 3.0
   85    84    86    41   0.15000  1.0 3.0
   85    84    86    92   0.23400  1.0 3.0
   85    84    88    89   0.15000  1.0 3.0
   85    84    88    90   0.15000  1.0 3.0
   85    84    88    91   0.15000  1.0 3.0
   86    84    88    89   0.15000  1.0 3.0
   86    84    88    90   0.15000  1.0 3.0
   86    84    88    91   0.15000  1.0 3.0
   86    41    45    46   0.15000  1.0 3.0
   86    41    45    47   0.15000  1.0 3.0
   86    41    45    48   0.15000  1.0 3.0
   87    86    41    33   0.15000  1.0 3.0
   87    86    41    42   0.15000  1.0 3.0
   87    86    41    45   0.15000  1.0 3.0
   87    86    92    93   0.19450  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43  -0.95700  1.0 1.0
   41    33    38    43  -0.18200 -1.0 2.0
   41    33    38    43   0.29450  1.0 3.0
   41    86    92    93  -0.11600  1.0 1.0
   41    86    92    93  -0.09450 -1.0 2.0
   41    86    92    93   0.21250  1.0 3.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    47   0.15000  1.0 3.0
   42    41    45    48   0.15000  1.0 3.0
   92    86    41    33   0.86500  1.0 1.0
   92    86    41    33  -0.17500 -1.0 2.0
   92    86    41    33   0.20800  1.0 3.0
   92    86    41    42   0.23400  1.0 3.0
   92    86    41    45   0.86500  1.0 1.0
   92    86    41    45  -0.17500 -1.0 2.0
   92    86    41    45   0.20800  1.0 3.0
   88    84    86    87   0.15000  1.0 3.0
   88    84    86    41   0.56750  1.0 1.0
   88    84    86    41  -0.07550 -1.0 2.0
   88    84    86    41   0.20000  1.0 3.0
   88    84    86    92   0.86500  1.0 1.0
   88    84    86    92  -0.17500 -1.0 2.0
   88    84    86    92   0.20800  1.0 3.0
   80    75    77    78   0.15000  1.0 3.0
   80    75    77    79   0.15000  1.0 3.0
   80    75    77    84   0.56750  1.0 1.0
   80    75    77    84  -0.07550 -1.0 2.0
   80    75    77    84   0.20000  1.0 3.0
   59    52    57    58   0.00000  1.0 1.0
   59    52    57    67   0.09850  1.0 1.0
   59    52    57    67   0.15250 -1.0 2.0
   59    52    57    67  -0.50650  1.0 3.0
   54    50    52    53   0.15000  1.0 3.0
   54    50    52    57   0.34400  1.0 1.0
   54    50    52    57   0.09450 -1.0 2.0
   54    50    52    57   0.11100  1.0 3.0
   54    50    52    59   0.56750  1.0 1.0
   54    50    52    59  -0.07550 -1.0 2.0
   54    50    52    59   0.20000  1.0 3.0
   55    54    63    64   0.15000  1.0 3.0
   55    54    63    65   0.15000  1.0 3.0
   55    54    63    66   0.15000  1.0 3.0
   56    54    63    64   0.15000  1.0 3.0
   56    54    63    65   0.15000  1.0 3.0
   56    54    63    66   0.15000  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
   38    49    43    44  10.50000 -1.0 2.0
   52    58    57    67   1.10000 -1.0 2.0
   69    68    67    57   1.10000 -1.0 2.0
   67    70    69    71   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   71    75    73    74  10.50000 -1.0 2.0
END
