* LIGAND DATABASE FILE (OPLS2005)
*
001     118   117    202    288     578
    1     0 S   NP   _N1_     1    29.73601    94.53030   -17.35549
    2     1 S   H    _HN1     2     1.02963   105.75360    39.71969
    3     1 S   H    _H1_     3     1.02838    43.12891   138.18683
    4     1 S   H    _H2_     4     1.02788    67.54624   -63.88873
    5     1 S   CT   _CA1     5     1.50135   141.21620  -161.77054
    6     5 S   HC   _HA1     6     1.09601   105.17168    20.01695
    7     5 S   CO3  _C1_     7     1.53627   112.17306   -99.81781
    8     7 S   O2Z  _O11     8     1.26318   115.12743   -51.59392
    9     7 S   O2Z  _O12     9     1.26250   114.77100   127.26809
   10     5 S   CT   _CB1    10     1.53017   107.33666   137.38262
   11    10 S   HC   HB11    11     1.09817   108.76092   -54.11607
   12    10 S   HC   HB12    12     1.09807   110.61735    62.10706
   13    10 S   CT   _CG1    13     1.53088   112.92590  -175.49398
   14    13 S   HC   HG11    14     1.09582   110.32761   -67.73677
   15    13 S   HC   HG12    15     1.09647   110.16292    51.40787
   16    13 S   C    _CD1    16     1.51857   112.00335   170.98147
   17    16 S   O    _OE1    17     1.22781   123.00136   -12.13421
   18    16 S   N    _N2_    18     1.38657   112.10339   169.44426
   19    18 S   H    _HN2    19     1.01581   119.26283    -1.47140
   20    18 S   CT1  _CA2    20     1.46176   122.89078   176.93612
   21    20 S   HC   _HA2    21     1.09746   109.15638   -11.07878
   22    20 S   C    _C2_    22     1.53499   108.43545  -126.41859
   23    22 S   O    _O2_    23     1.23030   122.19272  -147.27148
   24    20 S   CT   _CB2    32     1.53315   112.39020   110.89177
   25    24 S   HC   HB21    33     1.09508   110.42587    61.85263
   26    24 S   HC   HB22    34     1.09572   109.82666   179.17197
   27    22 S   N    _N3_    24     1.38495   113.44659    40.10184
   28    27 S   H    _HN3    25     1.01523   118.88940    -0.77380
   29    24 S   S    _SG2    35     1.82937   112.36740   -62.33754
   30    27 S   CT   _CA3    26     1.45458   123.58686   175.12665
   31    30 S   HC   HA31    27     1.09514   109.39633    21.13267
   32    30 S   HC   HA32    28     1.09500   107.08049   138.16944
   33    29 S   CT   _C6_    36     1.84500    99.88037   113.82910
   34    33 S   HC   _H4_    37     1.09480   105.78956   -39.38833
   35    30 S   CO3  _C3_    29     1.52923   113.01039  -102.45016
   36    35 S   O2Z  _O31    30     1.26413   115.36983   -44.91610
   37    35 S   O2Z  _O32    31     1.26348   115.00196   135.99102
   38    33 S   CM   _C7_    38     1.51214   107.84210    78.74755
   39    38 S   HC   _H8_    39     1.09064   115.70047    54.74520
   40    33 S   CT   _C5_   110     1.54807   113.00199  -156.45715
   41    40 S   HC   _H3_   111     1.09928   107.41419  -174.10868
   42    38 S   CM   _C8_    40     1.34380   128.39425  -124.39413
   43    42 S   HC   _H9_    41     1.08983   117.04456   177.68861
   44    40 S   CO3  _C38   112     1.54658   115.02162   -57.33877
   45    44 S   O2Z  _O34   113     1.26269   116.51495   102.65320
   46    44 S   O2Z  _O33   114     1.26558   114.60631   -78.25439
   47    40 S   CT   _C4_   115     1.53205   111.79724    70.64816
   48    47 S   HC   _H5_   116     1.09441   112.40671   -63.01890
   49    47 S   HC   _H6_   117     1.09586   110.69890   176.82824
   50    47 S   HC   _H7_   118     1.09516   110.62263    57.84023
   51    42 S   CM   _C9_    42     1.45851   128.74584    -1.39998
   52    51 S   CM   _C10    43     1.34764   121.02162   -51.78563
   53    52 S   HC   _H10    44     1.08579   117.36508     2.89117
   54    51 S   CT   _C37   106     1.50528   113.17813   131.02490
   55    54 S   HC   _H46   107     1.09641   110.33235   -51.84871
   56    54 S   HC   _H47   108     1.09547   110.46197    67.81804
   57    54 S   HC   _H48   109     1.09262   113.38532  -171.05062
   58    52 S   CM   _C11    45     1.44863   127.35615  -175.17371
   59    58 S   HC   _H11    46     1.08684   116.77592     9.25791
   60    58 S   CM   _C12    47     1.34469   127.05547  -171.02955
   61    60 S   HC   _H12    48     1.08999   117.08984   178.65404
   62    60 S   CM   _C13    49     1.46030   128.77152     2.87678
   63    62 S   CM   _C14    50     1.34811   121.73387   -56.56132
   64    63 S   HC   _H13    51     1.08794   118.01154    -0.40154
   65    62 S   CT   _C36   102     1.50582   112.61491   124.04426
   66    65 S   HC   _H43   103     1.09565   110.48486    64.18846
   67    65 S   HC   _H44   104     1.09163   113.47541  -175.16211
   68    65 S   HC   _H45   105     1.09619   110.22076   -55.46564
   69    63 S   CM   _C15    52     1.44893   126.69651  -179.86438
   70    69 S   HC   _H14    53     1.08726   116.72144    18.77120
   71    69 S   CM   _C16    54     1.34386   127.02343  -161.62063
   72    71 S   HC   _H15    55     1.08810   116.24997  -179.52853
   73    71 S   CM   _C17    56     1.45110   127.23372     3.46594
   74    73 S   HC   _H16    57     1.08739   116.05912     2.91531
   75    73 S   CM   _C18    58     1.34812   126.68114   179.94405
   76    75 S   CM   _C20    59     1.45403   125.23078     2.26538
   77    76 S   HC   _H20    60     1.08914   114.39465  -112.39978
   78    75 S   CT   _C19    98     1.50550   120.95716  -175.60484
   79    78 S   HC   _H17    99     1.09559   110.51122  -120.29122
   80    78 S   HC   _H18   100     1.09549   112.18299    -0.39958
   81    78 S   HC   _H19   101     1.09563   110.66208   119.50924
   82    76 S   CM   _C21    61     1.34357   127.65536    70.19294
   83    82 S   HC   _H21    62     1.08741   116.50069   179.57067
   84    82 S   CM   _C22    63     1.45105   126.53267     0.30001
   85    84 S   HC   _H22    64     1.08809   115.72308    -1.68806
   86    84 S   CM   _C23    65     1.34813   126.78818   179.20697
   87    86 S   CM   _C25    66     1.45441   125.24013    -1.31908
   88    87 S   HC   _H26    67     1.08901   114.48913   112.92622
   89    86 S   CT   _C24    94     1.50543   120.99455   177.16413
   90    89 S   HC   _H23    95     1.09560   110.65253  -119.26601
   91    89 S   HC   _H24    96     1.09547   112.16814     0.66881
   92    89 S   HC   _H25    97     1.09564   110.53472   120.52128
   93    87 S   CM   _C26    68     1.34377   127.60124   -69.53502
   94    93 S   HC   _H27    69     1.08691   116.47407  -179.14339
   95    93 S   CM   _C27    70     1.44955   126.42116    -1.13246
   96    95 S   HC   _H28    71     1.08828   115.69113    -5.00965
   97    95 S   CM   _C28    72     1.34822   126.56951   176.45425
   98    97 S   CT   _C29    73     1.50754   120.05707   178.62456
   99    98 S   HC   _H29    74     1.09496   110.26224   119.37650
  100    98 S   HC   _H30    75     1.09521   112.39184    -0.57709
  101    98 S   HC   _H31    76     1.09457   110.44981  -120.64248
  102    97 S   CT   _C30    77     1.51436   125.06095    -2.54707
  103   102 S   HC   _H32    78     1.09659   110.76153   -28.10316
  104   102 S   HC   _H33    79     1.09841   109.06210  -142.87980
  105   102 S   CT   _C31    80     1.53095   111.99236    95.13459
  106   105 S   HC   _H34    81     1.09494   110.50425   -54.89861
  107   105 S   HC   _H35    82     1.09739   110.08615    61.25613
  108   105 S   CM   _C32    83     1.50331   111.17400  -179.29640
  109   108 S   HC   _H36    84     1.08942   114.23497   -78.19096
  110   108 S   CM   _C33    85     1.34664   127.51608   102.75400
  111   110 S   CT   _C34    86     1.50548   120.52576   178.46049
  112   111 S   HC   _H37    87     1.09497   110.28991   119.15947
  113   111 S   HC   _H38    88     1.09499   110.20242  -121.02048
  114   111 S   HC   _H39    89     1.09512   112.39937    -0.97558
  115   110 S   CT   _C35    90     1.50281   125.02053    -2.23195
  116   115 S   HC   _H40    91     1.09481   110.10223   114.04013
  117   115 S   HC   _H41    92     1.09544   110.05221  -126.63882
  118   115 S   HC   _H42    93     1.09229   113.47946    -7.08643
  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
  15   7   2   1   1  10   4   9   7   9   3   6   2   1   3   2
   1   1   9  10   4   4   2   1   1   6   3   9   3   9  10   4
   4   2   1   1   6   3   6   3   9   3   9  10   4   4   2   1
   1   6   3   9   3   9  10   4   4   2   1   1   6   3  10   3
  11   7   3   2   1   8   5   4   7   4   3  10   3   8   7   3
   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    40    41    44    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    51    40    41    44    45    46    47    48    49    50  
   38    39    42    40    41    44    47  
   36    37  
   37  
    0  
   39    42    43    51    52    54    40    41    44    47  
   42    43    51    40  
   41    44    45    46    47    48    49    50    42  
   44    45    46    47    48    49    50  
   43    51    52    53    58    54    55    56    57  
   51    52    54  
   45    46    47    48    49    50  
   46    47  
   47  
   48    49    50  
   49    50  
   50  
    0  
   52    53    58    59    60    54    55    56    57  
   53    58    59    60    61    62    54    55    56    57  
   58    59    60    54  
   55    56    57    58  
   56    57  
   57  
    0  
   59    60    61    62    63    65  
   60    61    62  
   61    62    63    64    69    65    66    67    68  
   62    63    65  
   63    64    69    70    71    65    66    67    68  
   64    69    70    71    72    73    65    66    67    68  
   69    70    71    65  
   66    67    68    69  
   67    68  
   68  
    0  
   70    71    72    73    74    75  
   71    72    73  
   72    73    74    75    76    78  
   73    74    75  
   74    75    76    77    82    78    79    80    81  
   75    76    78  
   76    77    82    83    84    78    79    80    81  
   77    82    83    84    85    86    78    79    80    81  
   82    83    84    78  
   79    80    81    82  
   80    81  
   81  
    0  
   83    84    85    86    87    89  
   84    85    86  
   85    86    87    88    93    89    90    91    92  
   86    87    89  
   87    88    93    94    95    89    90    91    92  
   88    93    94    95    96    97    89    90    91    92  
   93    94    95    89  
   90    91    92    93  
   91    92  
   92  
    0  
   94    95    96    97    98   102  
   95    96    97  
   96    97    98    99   100   101   102   103   104   105  
   97    98   102  
   98    99   100   101   102   103   104   105   106   107   108  
   99   100   101   102   103   104   105  
  100   101   102  
  101   102  
  102  
  103   104   105   106   107   108   109   110  
  104   105   106   107   108  
  105   106   107   108  
  106   107   108   109   110   111   115  
  107   108   109   110  
  108   109   110  
  109   110   111   112   113   114   115   116   117   118  
  110   111   115  
  111   112   113   114   115   116   117   118  
  112   113   114   115   116   117   118  
  113   114   115  
  114   115  
  115  
  116   117   118  
  117   118  
  118  
    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  -0.115000   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  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   83   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   85   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   87   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   88   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   94   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   96   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   98   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  109   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  110   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
  111   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  112   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  113   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  114   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  115   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  116   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  117   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  118   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   549.000  1.340
   42    43   340.000  1.080
   42    51   380.000  1.444
   51    52   549.000  1.340
   51    54   317.000  1.510
   52    53   340.000  1.080
   52    58   380.000  1.444
   58    59   340.000  1.080
   58    60   549.000  1.340
   60    61   340.000  1.080
   60    62   380.000  1.444
   62    63   549.000  1.340
   62    65   317.000  1.510
   63    64   340.000  1.080
   63    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   380.000  1.444
   73    74   340.000  1.080
   73    75   549.000  1.340
   75    76   380.000  1.444
   75    78   317.000  1.510
   76    77   340.000  1.080
   76    82   549.000  1.340
   82    83   340.000  1.080
   82    84   380.000  1.444
   84    85   340.000  1.080
   84    86   549.000  1.340
   86    87   380.000  1.444
   86    89   317.000  1.510
   87    88   340.000  1.080
   87    93   549.000  1.340
   93    94   340.000  1.080
   93    95   380.000  1.444
   95    96   340.000  1.080
   95    97   549.000  1.340
   97    98   317.000  1.510
   97   102   317.000  1.510
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   268.000  1.529
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   317.000  1.510
  108   109   340.000  1.080
  108   110   549.000  1.340
  110   111   317.000  1.510
  110   115   317.000  1.510
  111   112   340.000  1.090
  111   113   340.000  1.090
  111   114   340.000  1.090
  115   116   340.000  1.090
  115   117   340.000  1.090
  115   118   340.000  1.090
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   40    41   340.000  1.090
   40    44   317.000  1.522
   40    47   268.000  1.529
   44    45   656.000  1.250
   44    46   656.000  1.250
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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    41    37.50000  110.70000
   33    40    44    70.00000  109.69300
   33    40    47    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    51    70.00000  123.01800
   42    38    39    35.00000  120.00000
   42    51    52    70.00000  123.01800
   42    51    54    70.00000  124.00000
   51    42    43    35.00000  120.00000
   51    52    53    35.00000  120.00000
   51    52    58    70.00000  123.01800
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    57    35.00000  109.50000
   52    58    59    35.00000  120.00000
   52    58    60    70.00000  123.01800
   58    52    53    35.00000  120.00000
   58    60    61    35.00000  120.00000
   58    60    62    70.00000  123.01800
   60    58    59    35.00000  120.00000
   60    62    63    70.00000  123.01800
   60    62    65    70.00000  124.00000
   62    60    61    35.00000  120.00000
   62    63    64    35.00000  120.00000
   62    63    69    70.00000  123.01800
   62    65    66    35.00000  109.50000
   62    65    67    35.00000  109.50000
   62    65    68    35.00000  109.50000
   63    69    70    35.00000  120.00000
   63    69    71    70.00000  123.01800
   69    63    64    35.00000  120.00000
   69    71    72    35.00000  120.00000
   69    71    73    70.00000  123.01800
   71    69    70    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    70.00000  123.01800
   73    71    72    35.00000  120.00000
   73    75    76    70.00000  123.01800
   73    75    78    70.00000  124.00000
   75    73    74    35.00000  120.00000
   75    76    77    35.00000  120.00000
   75    76    82    70.00000  123.01800
   75    78    79    35.00000  109.50000
   75    78    80    35.00000  109.50000
   75    78    81    35.00000  109.50000
   76    82    83    35.00000  120.00000
   76    82    84    70.00000  123.01800
   82    76    77    35.00000  120.00000
   82    84    85    35.00000  120.00000
   82    84    86    70.00000  123.01800
   84    82    83    35.00000  120.00000
   84    86    87    70.00000  123.01800
   84    86    89    70.00000  124.00000
   86    84    85    35.00000  120.00000
   86    87    88    35.00000  120.00000
   86    87    93    70.00000  123.01800
   86    89    90    35.00000  109.50000
   86    89    91    35.00000  109.50000
   86    89    92    35.00000  109.50000
   87    93    94    35.00000  120.00000
   87    93    95    70.00000  123.01800
   93    87    88    35.00000  120.00000
   93    95    96    35.00000  120.00000
   93    95    97    70.00000  123.01800
   95    93    94    35.00000  120.00000
   95    97    98    70.00000  124.00000
   95    97   102    70.00000  124.00000
   97    95    96    35.00000  120.00000
   97    98    99    35.00000  109.50000
   97    98   100    35.00000  109.50000
   97    98   101    35.00000  109.50000
   97   102   103    35.00000  109.50000
   97   102   104    35.00000  109.50000
   97   102   105    70.00000  112.02700
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
  102    97    98    65.00000  117.92700
  102   105   106    37.50000  110.70000
  102   105   107    37.50000  110.70000
  102   105   108    70.00000  112.02700
  104   102   103    33.00000  107.80000
  105   102   103    37.50000  110.70000
  105   102   104    37.50000  110.70000
  105   108   109    35.00000  117.00000
  105   108   110    70.00000  124.00000
  107   105   106    33.00000  107.80000
  108   105   106    35.00000  109.50000
  108   105   107    35.00000  109.50000
  108   110   111    70.00000  124.00000
  108   110   115    70.00000  124.00000
  110   108   109    35.00000  120.00000
  110   111   112    35.00000  109.50000
  110   111   113    35.00000  109.50000
  110   111   114    35.00000  109.50000
  110   115   116    35.00000  109.50000
  110   115   117    35.00000  109.50000
  110   115   118    35.00000  109.50000
  113   111   112    33.00000  107.80000
  114   111   112    33.00000  107.80000
  114   111   113    33.00000  107.80000
  115   110   111    65.00000  117.92700
  117   115   116    33.00000  107.80000
  118   115   116    33.00000  107.80000
  118   115   117    33.00000  107.80000
   89    86    87    70.00000  124.00000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   78    75    76    70.00000  124.00000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   65    62    63    70.00000  124.00000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   54    51    52    70.00000  124.00000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    44    45    70.00000  117.00000
   40    44    46    70.00000  117.00000
   40    47    48    37.50000  110.70000
   40    47    49    37.50000  110.70000
   40    47    50    37.50000  110.70000
   44    40    41    35.00000  109.50000
   46    44    45    80.00000  126.00000
   47    40    41    37.50000  110.70000
   47    40    44    70.00000  109.69300
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   29    33    40    47   0.44750  1.0 1.0
   29    33    40    47  -0.17800 -1.0 2.0
   29    33    40    47   0.20200  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    51   7.00000 -1.0 2.0
   33    40    44    45   0.41150 -1.0 2.0
   33    40    44    46   0.41150 -1.0 2.0
   33    40    47    48   0.15000  1.0 3.0
   33    40    47    49   0.15000  1.0 3.0
   33    40    47    50   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    41   0.15000  1.0 3.0
   34    33    40    44  -0.11250  1.0 3.0
   34    33    40    47   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44  -0.98800  1.0 1.0
   38    33    40    44   0.48800 -1.0 2.0
   38    33    40    44   0.76800  1.0 3.0
   38    33    40    47   0.34400  1.0 1.0
   38    33    40    47   0.09450 -1.0 2.0
   38    33    40    47   0.11100  1.0 3.0
   38    42    51    52   0.28850  1.0 1.0
   38    42    51    52   2.61350 -1.0 2.0
   38    42    51    52   0.78400  1.0 3.0
   38    42    51    54  -0.18600  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    51   7.00000 -1.0 2.0
   42    51    52    53   7.00000 -1.0 2.0
   42    51    52    58   7.00000 -1.0 2.0
   42    51    54    55   0.00000  1.0 1.0
   42    51    54    56   0.00000  1.0 1.0
   42    51    54    57   0.00000  1.0 1.0
   43    42    51    52  -0.18600  1.0 3.0
   43    42    51    54   0.00000  1.0 1.0
   51    52    58    59  -0.18600  1.0 3.0
   51    52    58    60   0.28850  1.0 1.0
   51    52    58    60   2.61350 -1.0 2.0
   51    52    58    60   0.78400  1.0 3.0
   52    51    54    55   0.00000  1.0 1.0
   52    51    54    56   0.00000  1.0 1.0
   52    51    54    57   0.00000  1.0 1.0
   52    58    60    61   7.00000 -1.0 2.0
   52    58    60    62   7.00000 -1.0 2.0
   53    52    58    59   0.00000  1.0 1.0
   53    52    58    60  -0.18600  1.0 3.0
   58    60    62    63   0.28850  1.0 1.0
   58    60    62    63   2.61350 -1.0 2.0
   58    60    62    63   0.78400  1.0 3.0
   58    60    62    65  -0.18600  1.0 3.0
   59    58    60    61   7.00000 -1.0 2.0
   59    58    60    62   7.00000 -1.0 2.0
   60    62    63    64   7.00000 -1.0 2.0
   60    62    63    69   7.00000 -1.0 2.0
   60    62    65    66   0.00000  1.0 1.0
   60    62    65    67   0.00000  1.0 1.0
   60    62    65    68   0.00000  1.0 1.0
   61    60    62    63  -0.18600  1.0 3.0
   61    60    62    65   0.00000  1.0 1.0
   62    63    69    70  -0.18600  1.0 3.0
   62    63    69    71   0.28850  1.0 1.0
   62    63    69    71   2.61350 -1.0 2.0
   62    63    69    71   0.78400  1.0 3.0
   63    62    65    66   0.00000  1.0 1.0
   63    62    65    67   0.00000  1.0 1.0
   63    62    65    68   0.00000  1.0 1.0
   63    69    71    72   7.00000 -1.0 2.0
   63    69    71    73   7.00000 -1.0 2.0
   64    63    69    70   0.00000  1.0 1.0
   64    63    69    71  -0.18600  1.0 3.0
   69    71    73    74  -0.18600  1.0 3.0
   69    71    73    75   0.28850  1.0 1.0
   69    71    73    75   2.61350 -1.0 2.0
   69    71    73    75   0.78400  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   7.00000 -1.0 2.0
   71    73    75    78   7.00000 -1.0 2.0
   72    71    73    74   0.00000  1.0 1.0
   72    71    73    75  -0.18600  1.0 3.0
   73    75    76    77  -0.18600  1.0 3.0
   73    75    76    82   0.28850  1.0 1.0
   73    75    76    82   2.61350 -1.0 2.0
   73    75    76    82   0.78400  1.0 3.0
   73    75    78    79   0.00000  1.0 1.0
   73    75    78    80   0.00000  1.0 1.0
   73    75    78    81   0.00000  1.0 1.0
   74    73    75    76   7.00000 -1.0 2.0
   74    73    75    78   7.00000 -1.0 2.0
   75    76    82    83   7.00000 -1.0 2.0
   75    76    82    84   7.00000 -1.0 2.0
   76    75    78    79   0.00000  1.0 1.0
   76    75    78    80   0.00000  1.0 1.0
   76    75    78    81   0.00000  1.0 1.0
   76    82    84    85  -0.18600  1.0 3.0
   76    82    84    86   0.28850  1.0 1.0
   76    82    84    86   2.61350 -1.0 2.0
   76    82    84    86   0.78400  1.0 3.0
   77    76    82    83   7.00000 -1.0 2.0
   77    76    82    84   7.00000 -1.0 2.0
   82    84    86    87   7.00000 -1.0 2.0
   82    84    86    89   7.00000 -1.0 2.0
   83    82    84    85   0.00000  1.0 1.0
   83    82    84    86  -0.18600  1.0 3.0
   84    86    87    88  -0.18600  1.0 3.0
   84    86    87    93   0.28850  1.0 1.0
   84    86    87    93   2.61350 -1.0 2.0
   84    86    87    93   0.78400  1.0 3.0
   84    86    89    90   0.00000  1.0 1.0
   84    86    89    91   0.00000  1.0 1.0
   84    86    89    92   0.00000  1.0 1.0
   85    84    86    87   7.00000 -1.0 2.0
   85    84    86    89   7.00000 -1.0 2.0
   86    87    93    94   7.00000 -1.0 2.0
   86    87    93    95   7.00000 -1.0 2.0
   87    86    89    90   0.00000  1.0 1.0
   87    86    89    91   0.00000  1.0 1.0
   87    86    89    92   0.00000  1.0 1.0
   87    93    95    96  -0.18600  1.0 3.0
   87    93    95    97   0.28850  1.0 1.0
   87    93    95    97   2.61350 -1.0 2.0
   87    93    95    97   0.78400  1.0 3.0
   88    87    93    94   7.00000 -1.0 2.0
   88    87    93    95   7.00000 -1.0 2.0
   93    95    97    98   7.00000 -1.0 2.0
   93    95    97   102   7.00000 -1.0 2.0
   94    93    95    96   0.00000  1.0 1.0
   94    93    95    97  -0.18600  1.0 3.0
   95    97    98    99   0.00000  1.0 1.0
   95    97    98   100   0.00000  1.0 1.0
   95    97    98   101   0.00000  1.0 1.0
   95    97   102   103   0.00000  1.0 1.0
   95    97   102   104   0.00000  1.0 1.0
   95    97   102   105   0.09850  1.0 1.0
   95    97   102   105   0.15250 -1.0 2.0
   95    97   102   105  -0.50650  1.0 3.0
   96    95    97    98   7.00000 -1.0 2.0
   96    95    97   102   7.00000 -1.0 2.0
   97   102   105   106   0.15000  1.0 3.0
   97   102   105   107   0.15000  1.0 3.0
   97   102   105   108   0.31000  1.0 1.0
   97   102   105   108   0.14700 -1.0 2.0
   97   102   105   108   0.07550  1.0 3.0
   98    97   102   103   0.34800  1.0 3.0
   98    97   102   104   0.34800  1.0 3.0
   98    97   102   105   0.46850  1.0 1.0
   98    97   102   105   0.08550 -1.0 2.0
   98    97   102   105   0.09800  1.0 3.0
  102    97    98    99   0.34800  1.0 3.0
  102    97    98   100   0.34800  1.0 3.0
  102    97    98   101   0.34800  1.0 3.0
  102   105   108   109   0.00000  1.0 1.0
  102   105   108   110   0.09850  1.0 1.0
  102   105   108   110   0.15250 -1.0 2.0
  102   105   108   110  -0.50650  1.0 3.0
  103   102   105   106   0.15000  1.0 3.0
  103   102   105   107   0.15000  1.0 3.0
  103   102   105   108   0.15000  1.0 3.0
  104   102   105   106   0.15000  1.0 3.0
  104   102   105   107   0.15000  1.0 3.0
  104   102   105   108   0.15000  1.0 3.0
  105   108   110   111   7.00000 -1.0 2.0
  105   108   110   115   7.00000 -1.0 2.0
  106   105   108   109   0.33100  1.0 3.0
  106   105   108   110   0.00000  1.0 1.0
  107   105   108   109   0.33100  1.0 3.0
  107   105   108   110   0.00000  1.0 1.0
  108   110   111   112   0.00000  1.0 1.0
  108   110   111   113   0.00000  1.0 1.0
  108   110   111   114   0.00000  1.0 1.0
  108   110   115   116   0.00000  1.0 1.0
  108   110   115   117   0.00000  1.0 1.0
  108   110   115   118   0.00000  1.0 1.0
  109   108   110   111   7.00000 -1.0 2.0
  109   108   110   115   7.00000 -1.0 2.0
  111   110   115   116   0.34800  1.0 3.0
  111   110   115   117   0.34800  1.0 3.0
  111   110   115   118   0.34800  1.0 3.0
  115   110   111   112   0.34800  1.0 3.0
  115   110   111   113   0.34800  1.0 3.0
  115   110   111   114   0.34800  1.0 3.0
   89    86    87    88   0.00000  1.0 1.0
   89    86    87    93  -0.18600  1.0 3.0
   78    75    76    77   0.00000  1.0 1.0
   78    75    76    82  -0.18600  1.0 3.0
   65    62    63    64   7.00000 -1.0 2.0
   65    62    63    69   7.00000 -1.0 2.0
   54    51    52    53   7.00000 -1.0 2.0
   54    51    52    58   7.00000 -1.0 2.0
   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
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    46   0.00000  1.0 1.0
   41    40    47    48   0.15000  1.0 3.0
   41    40    47    49   0.15000  1.0 3.0
   41    40    47    50   0.15000  1.0 3.0
   44    40    47    48  -0.11250  1.0 3.0
   44    40    47    49  -0.11250  1.0 3.0
   44    40    47    50  -0.11250  1.0 3.0
   47    40    44    45   0.41150 -1.0 2.0
   47    40    44    46   0.41150 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42  15.00000 -1.0 2.0
   51    43    42    38  15.00000 -1.0 2.0
   42    54    51    52  15.00000 -1.0 2.0
   58    53    52    51  15.00000 -1.0 2.0
   52    59    58    60  15.00000 -1.0 2.0
   62    61    60    58  15.00000 -1.0 2.0
   60    65    62    63  15.00000 -1.0 2.0
   69    64    63    62  15.00000 -1.0 2.0
   63    70    69    71  15.00000 -1.0 2.0
   73    72    71    69  15.00000 -1.0 2.0
   71    74    73    75  15.00000 -1.0 2.0
   76    78    75    73  15.00000 -1.0 2.0
   75    77    76    82  15.00000 -1.0 2.0
   84    83    82    76  15.00000 -1.0 2.0
   82    85    84    86  15.00000 -1.0 2.0
   87    89    86    84  15.00000 -1.0 2.0
   86    88    87    93  15.00000 -1.0 2.0
   95    94    93    87  15.00000 -1.0 2.0
   93    96    95    97  15.00000 -1.0 2.0
   98   102    97    95  15.00000 -1.0 2.0
  105   109   108   110  15.00000 -1.0 2.0
  111   115   110   108  15.00000 -1.0 2.0
   45    40    44    46  10.50000 -1.0 2.0
END
