* LIGAND DATABASE FILE (OPLS2005)
*
001      92    92    168    253     500
    1     0 S   NP   _N1_     1    28.79673    97.09024   -22.33667
    2     1 S   H    _HN1     2     1.02950    69.58842     5.27247
    3     1 S   H    _H1_     3     1.02828    43.14231   154.09847
    4     1 S   H    _H2_     4     1.02789   100.26584  -100.64440
    5     1 S   CT   _CA1     5     1.50114   144.82226   102.05422
    6     5 S   HC   _HA1     6     1.09575   105.18891    94.48777
    7     5 S   CO3  _C1_     7     1.53785   112.44839   -25.74448
    8     7 S   O2Z  _O11     8     1.26375   115.00907   -42.99939
    9     7 S   O2Z  _O12     9     1.26239   114.94437   136.09339
   10     5 S   CT   _CB1    10     1.53074   107.41381  -147.53766
   11    10 S   HC   HB11    11     1.09836   109.36528   -49.62981
   12    10 S   HC   HB12    12     1.09812   110.45924    66.97692
   13    10 S   CT   _CG1    13     1.52997   112.60793  -170.58750
   14    13 S   HC   HG11    14     1.09579   110.66463   -66.02981
   15    13 S   HC   HG12    15     1.09671   109.75510    53.20101
   16    13 S   C    _CD1    16     1.51808   112.16011   173.66544
   17    16 S   O    _OE1    17     1.22741   123.25276     8.55816
   18    16 S   N    _N2_    18     1.38635   111.69716  -171.49047
   19    18 S   H    _HN2    19     1.01586   119.01471     1.45023
   20    18 S   CT1  _CA2    20     1.46252   123.46483   177.38491
   21    20 S   HC   _HA2    21     1.09735   109.26537     5.94933
   22    20 S   C    _C2_    22     1.53658   109.10377  -109.59679
   23    22 S   O    _O2_    23     1.23081   122.20144  -151.64659
   24    20 S   CT   _CB2    32     1.53331   111.37338   127.88101
   25    24 S   HC   HB21    33     1.09470   109.65803    55.83160
   26    24 S   HC   HB22    34     1.09502   110.36564   174.94526
   27    22 S   N    _N3_    24     1.38306   113.92896    35.93357
   28    27 S   H    _HN3    25     1.01550   119.58067    -3.52803
   29    24 S   S    _SG2    35     1.82884   111.35143   -65.32095
   30    27 S   CT   _CA3    26     1.45273   123.25165   177.14021
   31    30 S   HC   HA31    27     1.09549   107.53631   -64.25963
   32    30 S   HC   HA32    28     1.09557   107.96865    52.19003
   33    29 S   CT   _C13    36     1.86035    99.61636   180.00000
   34    33 S   HC   _H3_    37     1.09521   106.54806    41.31662
   35    30 S   CO3  _C3_    29     1.52964   114.05603   174.18119
   36    35 S   O2Z  _O31    30     1.26381   116.07880    -0.04846
   37    35 S   O2Z  _O32    31     1.26427   114.41358   180.00000
   38    33 S   CM   _C8_    38     1.51706   105.83494   -78.01048
   39    38 S   HC   _H31    39     1.09119   114.89662   -63.77851
   40    33 S   CT   _C16    66     1.56770   110.95264   158.91455
   41    40 S   HC   _H38    67     1.09785   107.63066    56.82424
   42    38 S   CMA  _C9_    40     1.35549   127.09861   114.33789
   43    42 S   OM   _O22    41     1.26677   125.28570     2.84421
   44    40 S   CT   _C22    68     1.54391   110.50443   -60.65191
   45    44 S   HC   _H50    69     1.09499   111.28144   -63.20700
   46    44 S   HC   _H51    70     1.09310   111.64293   175.77998
   47    44 S   HC   _H52    71     1.09332   112.28219    57.69053
   48    42 S   OS   _O24    42     1.41936   109.14548  -176.11935
   49    48 S   CT   _C18    43     1.44527   119.29976  -177.16552
   50    49 S   HC   _H40    44     1.09774   111.88942    13.50546
   51    49 S   CT   _C12    45     1.55438   107.02561   131.36191
   52    51 S   HC   _H34    46     1.09769   109.25743    54.85773
   53    49 S   CT   _C24    86     1.53887   107.78288  -104.71412
   54    53 S   HC   _H56    87     1.09733   108.46702    59.94611
   55    53 S   HC   _H57    88     1.09540   110.21268   176.28343
   56    51 S   CM   _C7_    47     1.51400   107.70448   -62.89071
   57    56 S   HC   _H30    48     1.08882   116.42116   -66.22816
   58    51 S   CT   _C19    82     1.52790   113.20021   175.90079
   59    58 S   HC   _H41    83     1.09578   111.48144    53.97876
   60    58 S   HC   _H42    84     1.09434   111.21576   -66.61416
   61    58 S   HC   _H43    85     1.09602   110.96051   174.18533
   62    53 S   CT   _C23    89     1.52358   114.47311   -59.92966
   63    62 S   HC   _H53    90     1.09367   111.54212   -64.48096
   64    62 S   HC   _H54    91     1.09493   109.88629   176.34468
   65    62 S   HC   _H55    92     1.09428   111.47052    56.95638
   66    56 S   CM   _C6_    49     1.34150   123.11776   105.31442
   67    66 S   HC   _H29    50     1.08676   119.93876     5.37469
   68    66 S   CM   _C4_    51     1.44241   121.64443  -165.84089
   69    68 S   HC   _H27    52     1.08647   116.23354    -5.61744
   70    68 S   CM   _C5_    53     1.33817   122.65535   168.50410
   71    70 S   HC   _H28    54     1.08521   122.22526     7.44916
   72    70 S   CO4  _C10    55     1.48825   121.74521  -168.16344
   73    72 S   O    _O23    56     1.23107   118.81660  -150.86677
   74    72 S   CT   _C14    57     1.52824   119.04259    32.32955
   75    74 S   HC   _H36    58     1.09238   110.93348    -0.97237
   76    74 S   CT   _C11    59     1.53803   112.17795   119.75609
   77    76 S   HC   _H32    60     1.09845   109.54890    58.94530
   78    76 S   HC   _H33    61     1.09923   107.51387   172.78966
   79    74 S   CT   _C20    78     1.53051   107.96828  -118.30272
   80    79 S   HC   _H44    79     1.09570   111.47089   -63.07638
   81    79 S   HC   _H45    80     1.09500   110.85602   176.48866
   82    79 S   HC   _H46    81     1.09555   110.82064    56.65285
   83    76 S   CT   _C15    62     1.55607   118.12433   -66.11624
   84    83 S   HC   _H37    63     1.09720   102.99531  -165.94149
   85    83 S   CT   _C17    64     1.55683   114.74840   -48.71224
   86    85 S   HC   _H39    65     1.09482   107.68105    66.65777
   87    83 S   CT   _C21    74     1.53183   111.86580    80.14736
   88    87 S   HC   _H47    75     1.09288   111.93771   -80.27387
   89    87 S   HC   _H48    76     1.09480   110.80857   159.79687
   90    87 S   HC   _H49    77     1.09497   111.27790    41.16656
   91    85 S   OH   _O25    72     1.42898   108.32343   -48.99185
   92    91 S   HO   _H58    73     0.97394   107.43032   162.60244
  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   9   5   4   3
  16   7   2   1   1   9   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    85    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    48    83    85    86    40    41    44    45    46    47    91  
   38    39    42    85    40    41    44  
   36    37  
   37  
    0  
   39    42    43    48    49    85    40    41    44  
   42    43    48    40  
   41    44    45    46    47    91    92    87    42    76    83    84    85    86  
   44    45    46    47    91    83    85    86  
   43    48    49    50    51    53  
   48    49  
   45    46    47    91    83    85    86  
   46    47    85  
   47    85  
   85  
   49    50    51    52    56    58    53    54    55    62  
   50    51    52    56    57    66    58    59    60    61    53    54    55    62    63    64    65  
   51    52    56    58    53    54    55    62  
   52    56    57    66    67    68    58    59    60    61    53    54    55    62  
   56    57    66    58    59    60    61    53  
   54    55    62    63    64    65    56    58  
   55    62    63    64    65  
   62    63    64    65  
   57    66    67    68    69    70    58    59    60    61  
   66    67    68    58  
   59    60    61    66  
   60    61  
   61  
    0  
   63    64    65  
   64    65  
   65  
    0  
   67    68    69    70    71    72  
   68    69    70  
   69    70    71    72    73    74  
   70    71    72  
   71    72    73    74    75    76    79  
   72    73    74  
   73    74    75    76    77    78    83    79    80    81    82  
   74    75    76    79  
   75    76    77    78    83    84    85    87    79    80    81    82  
   76    77    78    83    79    80    81    82  
   77    78    83    84    85    86    91    87    88    89    90    79    80    81    82  
   78    83    84    85    87    79  
   83    84    85    87    79  
   80    81    82    83  
   81    82  
   82  
    0  
   84    85    86    91    92    87    88    89    90  
   85    86    91    87    88    89    90  
   86    91    92    87    88    89    90  
   91    92    87  
   88    89    90    91  
   89    90  
   90  
    0  
   92  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   92   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   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    42   465.000  1.376
   42    43   745.000  1.250
   42    48   440.000  1.360
   48    49   320.000  1.410
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    53   268.000  1.529
   51    52   340.000  1.090
   51    56   317.000  1.510
   51    58   268.000  1.529
   56    57   340.000  1.080
   56    66   549.000  1.340
   66    67   340.000  1.080
   66    68   380.000  1.444
   68    69   340.000  1.080
   68    70   549.000  1.340
   70    71   340.000  1.080
   70    72   320.000  1.462
   72    73   570.000  1.229
   72    74   317.000  1.522
   74    75   340.000  1.090
   74    76   268.000  1.529
   74    79   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    83   268.000  1.529
   83    84   340.000  1.090
   83    85   268.000  1.529
   83    87   268.000  1.529
   85    86   340.000  1.090
   85    40   268.000  1.529
   85    91   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   91    92   553.000  0.945
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   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  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    85    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    48    80.00000  120.01400
   42    38    39    40.00000  120.50800
   42    48    49    90.00000  111.18400
   48    42    43    65.00000  121.00000
   48    49    50    35.00000  109.50000
   48    49    51    50.00000  109.50000
   48    49    53    50.00000  109.50000
   49    51    52    37.50000  110.70000
   49    51    56    70.00000  112.02700
   49    51    58    58.35000  112.70000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    62    58.35000  112.70000
   51    49    50    37.50000  110.70000
   51    56    57    35.00000  117.00000
   51    56    66    70.00000  124.00000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    58    61    37.50000  110.70000
   56    51    52    35.00000  109.50000
   56    66    67    35.00000  120.00000
   56    66    68    70.00000  123.01800
   66    56    57    35.00000  120.00000
   66    68    69    35.00000  120.00000
   66    68    70    70.00000  123.01800
   68    66    67    35.00000  120.00000
   68    70    71    35.00000  120.00000
   68    70    72    65.00000  118.96000
   70    68    69    35.00000  120.00000
   70    72    73    80.00000  123.72100
   70    72    74    65.00000  118.62400
   72    70    71    40.00000  117.72500
   72    74    75    35.00000  109.50000
   72    74    76    63.00000  111.10000
   72    74    79    63.00000  111.10000
   74    72    73    80.00000  120.40000
   74    76    77    37.50000  110.70000
   74    76    78    37.50000  110.70000
   74    76    83    58.35000  112.70000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    82    37.50000  110.70000
   76    74    75    37.50000  110.70000
   76    83    84    37.50000  110.70000
   76    83    85    58.35000  112.70000
   76    83    87    58.35000  112.70000
   78    76    77    33.00000  107.80000
   83    76    77    37.50000  110.70000
   83    76    78    37.50000  110.70000
   83    85    86    37.50000  110.70000
   83    85    40    58.35000  112.70000
   83    85    91    50.00000  109.50000
   83    87    88    37.50000  110.70000
   83    87    89    37.50000  110.70000
   83    87    90    37.50000  110.70000
   85    83    84    37.50000  110.70000
   85    40    41    37.50000  110.70000
   85    40    44    58.35000  112.70000
   85    91    92    55.00000  108.50000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    85    86    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    47    37.50000  110.70000
   44    40    41    37.50000  110.70000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   91    85    86    35.00000  109.50000
   91    85    40    50.00000  109.50000
   87    83    84    37.50000  110.70000
   87    83    85    58.35000  112.70000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   79    74    75    37.50000  110.70000
   79    74    76    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   58    51    52    37.50000  110.70000
   58    51    56    70.00000  112.02700
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   53    49    50    37.50000  110.70000
   53    49    51    58.35000  112.70000
   53    62    63    37.50000  110.70000
   53    62    64    37.50000  110.70000
   53    62    65    37.50000  110.70000
   55    53    54    33.00000  107.80000
   62    53    54    37.50000  110.70000
   62    53    55    37.50000  110.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    85   0.44750  1.0 1.0
   29    33    40    85  -0.17800 -1.0 2.0
   29    33    40    85   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    48   7.00000 -1.0 2.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    46   0.15000  1.0 3.0
   33    40    44    47   0.15000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    85   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    44   0.15000  1.0 3.0
   38    33    40    85   0.34400  1.0 1.0
   38    33    40    85   0.09450 -1.0 2.0
   38    33    40    85   0.11100  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   0.34400  1.0 1.0
   38    33    40    44   0.09450 -1.0 2.0
   38    33    40    44   0.11100  1.0 3.0
   38    42    48    49  -2.26850  1.0 1.0
   38    42    48    49   3.39050 -1.0 2.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    48   7.00000 -1.0 2.0
   42    48    49    50   0.08050  1.0 3.0
   42    48    49    51  -0.46850  1.0 1.0
   42    48    49    51   0.09300 -1.0 2.0
   42    48    49    51  -0.12850  1.0 3.0
   42    48    49    53  -0.46850  1.0 1.0
   42    48    49    53   0.09300 -1.0 2.0
   42    48    49    53  -0.12850  1.0 3.0
   43    42    48    49   2.00000 -1.0 2.0
   48    49    51    52   0.23400  1.0 3.0
   48    49    51    56   0.61850  1.0 1.0
   48    49    51    56  -0.22750 -1.0 2.0
   48    49    51    56   0.15300  1.0 3.0
   48    49    51    58   0.62750  1.0 1.0
   48    49    51    58  -0.30950 -1.0 2.0
   48    49    51    58   0.27300  1.0 3.0
   48    49    53    54   0.23400  1.0 3.0
   48    49    53    55   0.23400  1.0 3.0
   48    49    53    62   0.62750  1.0 1.0
   48    49    53    62  -0.30950 -1.0 2.0
   48    49    53    62   0.27300  1.0 3.0
   49    51    56    57   0.00000  1.0 1.0
   49    51    56    66   0.09850  1.0 1.0
   49    51    56    66   0.15250 -1.0 2.0
   49    51    56    66  -0.50650  1.0 3.0
   49    51    58    59   0.15000  1.0 3.0
   49    51    58    60   0.15000  1.0 3.0
   49    51    58    61   0.15000  1.0 3.0
   49    53    62    63   0.15000  1.0 3.0
   49    53    62    64   0.15000  1.0 3.0
   49    53    62    65   0.15000  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    56   0.15000  1.0 3.0
   50    49    51    58   0.15000  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    55   0.15000  1.0 3.0
   50    49    53    62   0.15000  1.0 3.0
   51    49    53    54   0.15000  1.0 3.0
   51    49    53    55   0.15000  1.0 3.0
   51    49    53    62   0.56750  1.0 1.0
   51    49    53    62  -0.07550 -1.0 2.0
   51    49    53    62   0.20000  1.0 3.0
   51    56    66    67   7.00000 -1.0 2.0
   51    56    66    68   7.00000 -1.0 2.0
   52    51    56    57   0.33100  1.0 3.0
   52    51    56    66   0.00000  1.0 1.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    60   0.15000  1.0 3.0
   52    51    58    61   0.15000  1.0 3.0
   56    51    58    59   0.15000  1.0 3.0
   56    51    58    60   0.15000  1.0 3.0
   56    51    58    61   0.15000  1.0 3.0
   56    66    68    69  -0.18600  1.0 3.0
   56    66    68    70   0.28850  1.0 1.0
   56    66    68    70   2.61350 -1.0 2.0
   56    66    68    70   0.78400  1.0 3.0
   57    56    66    67   7.00000 -1.0 2.0
   57    56    66    68   7.00000 -1.0 2.0
   66    68    70    71   7.00000 -1.0 2.0
   66    68    70    72   7.00000 -1.0 2.0
   67    66    68    69   0.00000  1.0 1.0
   67    66    68    70  -0.18600  1.0 3.0
   68    70    72    73   1.00000 -1.0 2.0
   68    70    72    74  -0.33500  1.0 1.0
   68    70    72    74   1.06600 -1.0 2.0
   68    70    72    74  -0.14000  1.0 3.0
   69    68    70    71   7.00000 -1.0 2.0
   69    68    70    72   7.00000 -1.0 2.0
   70    72    74    75   0.00000  1.0 1.0
   70    72    74    76   0.65300  1.0 1.0
   70    72    74    76  -0.03850 -1.0 2.0
   70    72    74    76   0.33900  1.0 3.0
   70    72    74    79   0.65300  1.0 1.0
   70    72    74    79  -0.03850 -1.0 2.0
   70    72    74    79   0.33900  1.0 3.0
   71    70    72    73   0.00000  1.0 1.0
   71    70    72    74   0.04550  1.0 1.0
   71    70    72    74   0.83000 -1.0 2.0
   71    70    72    74  -0.04000  1.0 3.0
   72    74    76    77  -0.11250  1.0 3.0
   72    74    76    78  -0.11250  1.0 3.0
   72    74    76    83  -0.95700  1.0 1.0
   72    74    76    83  -0.18200 -1.0 2.0
   72    74    76    83   0.29450  1.0 3.0
   72    74    79    80  -0.11250  1.0 3.0
   72    74    79    81  -0.11250  1.0 3.0
   72    74    79    82  -0.11250  1.0 3.0
   73    72    74    75   0.00000  1.0 1.0
   73    72    74    76   0.30150 -1.0 2.0
   73    72    74    79   0.30150 -1.0 2.0
   74    76    83    84   0.15000  1.0 3.0
   74    76    83    85   0.56750  1.0 1.0
   74    76    83    85  -0.07550 -1.0 2.0
   74    76    83    85   0.20000  1.0 3.0
   74    76    83    87   0.56750  1.0 1.0
   74    76    83    87  -0.07550 -1.0 2.0
   74    76    83    87   0.20000  1.0 3.0
   75    74    76    77   0.15000  1.0 3.0
   75    74    76    78   0.15000  1.0 3.0
   75    74    76    83   0.15000  1.0 3.0
   75    74    79    80   0.15000  1.0 3.0
   75    74    79    81   0.15000  1.0 3.0
   75    74    79    82   0.15000  1.0 3.0
   76    74    79    80   0.15000  1.0 3.0
   76    74    79    81   0.15000  1.0 3.0
   76    74    79    82   0.15000  1.0 3.0
   76    83    85    86   0.15000  1.0 3.0
   76    83    85    40   0.56750  1.0 1.0
   76    83    85    40  -0.07550 -1.0 2.0
   76    83    85    40   0.20000  1.0 3.0
   76    83    85    91   0.86500  1.0 1.0
   76    83    85    91  -0.17500 -1.0 2.0
   76    83    85    91   0.20800  1.0 3.0
   76    83    87    88   0.15000  1.0 3.0
   76    83    87    89   0.15000  1.0 3.0
   76    83    87    90   0.15000  1.0 3.0
   77    76    83    84   0.15000  1.0 3.0
   77    76    83    85   0.15000  1.0 3.0
   77    76    83    87   0.15000  1.0 3.0
   78    76    83    84   0.15000  1.0 3.0
   78    76    83    85   0.15000  1.0 3.0
   78    76    83    87   0.15000  1.0 3.0
   83    85    40    33   0.56750  1.0 1.0
   83    85    40    33  -0.07550 -1.0 2.0
   83    85    40    33   0.20000  1.0 3.0
   83    85    40    41   0.15000  1.0 3.0
   83    85    40    44   0.56750  1.0 1.0
   83    85    40    44  -0.07550 -1.0 2.0
   83    85    40    44   0.20000  1.0 3.0
   83    85    91    92  -0.11600  1.0 1.0
   83    85    91    92  -0.09450 -1.0 2.0
   83    85    91    92   0.21250  1.0 3.0
   84    83    85    86   0.15000  1.0 3.0
   84    83    85    40   0.15000  1.0 3.0
   84    83    85    91   0.23400  1.0 3.0
   84    83    87    88   0.15000  1.0 3.0
   84    83    87    89   0.15000  1.0 3.0
   84    83    87    90   0.15000  1.0 3.0
   85    83    87    88   0.15000  1.0 3.0
   85    83    87    89   0.15000  1.0 3.0
   85    83    87    90   0.15000  1.0 3.0
   85    40    44    45   0.15000  1.0 3.0
   85    40    44    46   0.15000  1.0 3.0
   85    40    44    47   0.15000  1.0 3.0
   86    85    40    33   0.15000  1.0 3.0
   86    85    40    41   0.15000  1.0 3.0
   86    85    40    44   0.15000  1.0 3.0
   86    85    91    92   0.19450  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42   0.09850  1.0 1.0
   40    33    38    42   0.15250 -1.0 2.0
   40    33    38    42  -0.50650  1.0 3.0
   40    85    91    92  -0.11600  1.0 1.0
   40    85    91    92  -0.09450 -1.0 2.0
   40    85    91    92   0.21250  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   91    85    40    33   0.86500  1.0 1.0
   91    85    40    33  -0.17500 -1.0 2.0
   91    85    40    33   0.20800  1.0 3.0
   91    85    40    41   0.23400  1.0 3.0
   91    85    40    44   0.86500  1.0 1.0
   91    85    40    44  -0.17500 -1.0 2.0
   91    85    40    44   0.20800  1.0 3.0
   87    83    85    86   0.15000  1.0 3.0
   87    83    85    40   0.56750  1.0 1.0
   87    83    85    40  -0.07550 -1.0 2.0
   87    83    85    40   0.20000  1.0 3.0
   87    83    85    91   0.86500  1.0 1.0
   87    83    85    91  -0.17500 -1.0 2.0
   87    83    85    91   0.20800  1.0 3.0
   79    74    76    77   0.15000  1.0 3.0
   79    74    76    78   0.15000  1.0 3.0
   79    74    76    83   0.56750  1.0 1.0
   79    74    76    83  -0.07550 -1.0 2.0
   79    74    76    83   0.20000  1.0 3.0
   58    51    56    57   0.00000  1.0 1.0
   58    51    56    66   0.09850  1.0 1.0
   58    51    56    66   0.15250 -1.0 2.0
   58    51    56    66  -0.50650  1.0 3.0
   53    49    51    52   0.15000  1.0 3.0
   53    49    51    56   0.34400  1.0 1.0
   53    49    51    56   0.09450 -1.0 2.0
   53    49    51    56   0.11100  1.0 3.0
   53    49    51    58   0.56750  1.0 1.0
   53    49    51    58  -0.07550 -1.0 2.0
   53    49    51    58   0.20000  1.0 3.0
   54    53    62    63   0.15000  1.0 3.0
   54    53    62    64   0.15000  1.0 3.0
   54    53    62    65   0.15000  1.0 3.0
   55    53    62    63   0.15000  1.0 3.0
   55    53    62    64   0.15000  1.0 3.0
   55    53    62    65   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
   33    39    38    42   1.10000 -1.0 2.0
   43    48    42    38   1.10000 -1.0 2.0
   51    57    56    66   1.10000 -1.0 2.0
   68    67    66    56   1.10000 -1.0 2.0
   66    69    68    70   1.10000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   70    74    72    73  10.50000 -1.0 2.0
END
