* LIGAND DATABASE FILE (OPLS2005)
*
001      96    97    166    216     453
    1     0 S   NP   _N1_     1    28.21914    97.12173   -22.74120
    2     1 S   H    _HN1     2     1.02836    35.98016   148.67741
    3     1 S   H    _H1_     3     1.02779   105.25974  -111.79473
    4     1 S   H    _H2_     4     1.02953    74.27434    -6.64733
    5     1 S   CT   _CA1     5     1.50153   137.62073    96.60813
    6     5 S   HC   _HA1     6     1.09585   105.18617    89.09973
    7     5 S   CO3  _C1_     7     1.53787   112.09991   -30.93876
    8     7 S   O2Z  _O11     8     1.26364   114.99707   -49.21179
    9     7 S   O2Z  _O12     9     1.26221   114.91134   129.43408
   10     5 S   CT   _CB1    10     1.53078   107.35198  -153.17826
   11    10 S   HC   HB11    11     1.09830   109.30572   -50.52930
   12    10 S   HC   HB12    12     1.09805   110.54362    66.05418
   13    10 S   CT   _CG1    13     1.52971   112.56631  -171.51937
   14    13 S   HC   HG11    14     1.09572   110.49145   -65.11335
   15    13 S   HC   HG12    15     1.09649   109.79198    54.06339
   16    13 S   C    _CD1    16     1.51864   112.26696   174.28084
   17    16 S   O    _OE1    17     1.22773   123.29545     2.41508
   18    16 S   N    _N2_    18     1.38470   111.77788  -177.46240
   19    18 S   H    _HN2    19     1.01660   118.83160     3.32207
   20    18 S   CT1  _CA2    20     1.45874   122.98540   177.14405
   21    20 S   HC   _HA2    21     1.09711   109.05242    25.10513
   22    20 S   C    _C2_    22     1.52995   107.10768   -92.07360
   23    22 S   O    _O2_    23     1.22959   123.10499   -22.85988
   24    20 S   CT   _CB2    32     1.53119   112.06123   148.51133
   25    24 S   HC   HB21    33     1.09589   109.28023    55.59491
   26    24 S   HC   HB22    34     1.09452   110.77415   174.24190
   27    22 S   N    _N3_    24     1.38665   112.39792   160.02624
   28    27 S   H    _HN3    25     1.01490   119.76011     0.25641
   29    24 S   S    _SG2    35     1.82570   111.44043   -65.69200
   30    27 S   CT   _CA3    26     1.45404   122.51167   174.45787
   31    30 S   HC   HA31    27     1.09555   108.65192    36.24540
   32    30 S   HC   HA32    28     1.09471   107.23793   153.34626
   33    29 S   CT   _C11    36     1.84100    99.24540   162.62258
   34    33 S   HC   _H3_    37     1.08835   104.13597   -29.44945
   35    30 S   CO3  _C3_    29     1.53129   113.87268   -86.45026
   36    35 S   O2Z  _O31    30     1.26350   116.01966   -26.89123
   37    35 S   O2Z  _O32    31     1.26442   114.54850   153.91344
   38    33 S   CA   _C10    38     1.53051   113.44784    87.33445
   39    33 S   CM   _C12    65     1.51957   109.08884  -144.59530
   40    39 S   HC   _H8_    66     1.09139   114.87449   -83.74543
   41    38 S   CA   _C5_    39     1.41671   122.73964    59.60845
   42    39 S   CMA  _C13    67     1.36098   129.19861    96.56135
   43    42 S   OM   _O39    68     1.26561   127.05317  -179.31930
   44    41 S   CA   _C6_    40     1.40685   120.41359   179.48642
   45    44 S   HA   _H7_    41     1.08381   119.61104   179.12957
   46    41 S   OS   _O33    60     1.37400   116.37065    -0.52002
   47    42 S   CA   _C14    69     1.50185   113.92470    -2.14475
   48    44 S   CA   _C7_    42     1.39739   121.09897    -1.42752
   49    46 S   CT   _C4_    61     1.42128   118.34550   179.07719
   50    49 S   HC   _H4_    62     1.09430   107.69885  -179.26140
   51    49 S   HC   _H5_    63     1.09482   111.12530    63.12588
   52    49 S   HC   _H6_    64     1.09486   111.18436   -61.60968
   53    47 S   CA   _C15    70     1.40915   120.69590   -90.18557
   54    48 S   CA   _C8_    43     1.39769   118.82039    -0.21670
   55    48 S   OS   _O42    55     1.37122   125.21341  -179.60534
   56    53 S   CA   _C16    71     1.39771   120.66411   173.39663
   57    53 S   OH   _O38    95     1.37229   121.78064    -4.62360
   58    57 S   HO   _H21    96     0.97314   108.57011    -7.74223
   59    38 S   CA   _C9_    44     1.41284   119.43739  -121.18265
   60    54 S   OS   _O41    50     1.37461   118.97651  -179.28728
   61    55 S   CT   _C26    56     1.42200   117.41267    -1.19747
   62    61 S   HC   _H28    57     1.09429   107.73898  -179.28045
   63    61 S   HC   _H29    58     1.09493   111.11206    63.03508
   64    61 S   HC   _H30    59     1.09497   111.17276   -61.55127
   65    56 S   CA   _C17    72     1.39867   120.22433    -1.45226
   66    56 S   OS   _O37    90     1.37301   119.98483  -175.66135
   67    59 S   OS   _O40    45     1.37522   118.93630    -0.23739
   68    60 S   CT   _C25    51     1.42839   110.11163    95.95551
   69    68 S   HC   _H25    52     1.09405   107.76357  -177.34332
   70    68 S   HC   _H26    53     1.09519   111.34968    64.42401
   71    68 S   HC   _H27    54     1.09565   111.30692   -59.08315
   72    65 S   CA   _C18    73     1.39943   120.08349     5.63569
   73    65 S   OS   _O36    85     1.37173   119.00658  -175.13031
   74    66 S   CT   _C23    91     1.42763   110.02684   -90.19857
   75    74 S   HC   _H18    92     1.09399   107.75441  -177.59776
   76    74 S   HC   _H19    93     1.09516   111.27952    64.07689
   77    74 S   HC   _H20    94     1.09562   111.28375   -59.38287
   78    67 S   CT   _C24    46     1.42867   111.63132   110.76790
   79    78 S   HC   _H22    47     1.09424   107.74692  -149.66327
   80    78 S   HC   _H23    48     1.09384   110.05176    92.80282
   81    78 S   HC   _H24    49     1.09568   112.72520   -30.56071
   82    47 S   CA   _C19    74     1.41340   120.97294    86.32102
   83    72 S   OS   _O35    80     1.37206   122.71802  -179.63631
   84    73 S   CT   _C22    86     1.42935   109.88456    91.61309
   85    84 S   HC   _H15    87     1.09396   107.78091  -179.15281
   86    84 S   HC   _H16    88     1.09544   111.25063    62.57849
   87    84 S   HC   _H17    89     1.09526   111.30751   -60.84825
   88    82 S   OS   _O34    75     1.37666   119.30400     1.77244
   89    83 S   CT   _C21    81     1.42700   112.79646   -60.88473
   90    89 S   HC   _H12    82     1.09433   107.66027  -150.17627
   91    89 S   HC   _H13    83     1.09368   110.29629    92.59944
   92    89 S   HC   _H14    84     1.09626   112.63551   -31.45901
   93    88 S   CT   _C20    76     1.42750   110.49730    99.44790
   94    93 S   HC   _H9_    77     1.09409   107.75298  -165.78844
   95    93 S   HC   _H10    78     1.09422   110.71590    76.41003
   96    93 S   HC   _H11    79     1.09554   112.26629   -46.99291
  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   8   5   4   3
  13   6   2   1   1  14   8   3  12   8   3   9   4   6  11  10
   3   2   1   1  10  10   6  13   4   1   7   5   3   2   1   1
  12   6   4   3   2   1   1  10   6   3   2   1   1   3   2   1
   1   7   5   3   2   1   1   4   3   2   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    59    39    40    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    44    54    59    67    46    39    40    42    43    47  
   38    41    59    39    40    42  
   36    37  
   37  
    0  
   41    44    45    48    54    59    67    78    60    46    49    39    40    42  
   40    42    43    47    53    82    41    59  
   42    43    47  
   44    45    48    54    59    67    55    46    49    50    51    52  
   43    47    53    56    72    82    88    57  
   47    53    82  
   45    48    54    59    60    55    61    46    49  
   48    54    55    46  
   49    50    51    52    48    59  
   53    56    65    72    82    88    93    83    66    57    58  
   54    59    67    60    68    55    61    62    63    64  
   50    51    52  
   51    52  
   52  
    0  
   56    65    72    82    88    73    66    74    57    58  
   59    67    78    60    68    69    70    71    55    61  
   61    62    63    64    59    60  
   65    72    82    83    73    84    66    74    75    76    77    57    58  
   58    65    66    82  
    0  
   67    78    79    80    81    60    68  
   68    69    70    71    67  
   62    63    64  
   63    64  
   64  
    0  
   72    82    88    83    89    73    84    85    86    87    66    74  
   74    75    76    77    72    73  
   78    79    80    81  
   69    70    71  
   70    71  
   71  
    0  
   82    88    93    83    89    90    91    92    73    84  
   84    85    86    87    82    83  
   75    76    77  
   76    77  
   77  
    0  
   79    80    81  
   80    81  
   81  
    0  
   88    93    94    95    96    83    89  
   89    90    91    92    88  
   85    86    87  
   86    87  
   87  
    0  
   93    94    95    96  
   90    91    92  
   91    92  
   92  
    0  
   94    95    96  
   95    96  
   96  
    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   0.222500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   55   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   60   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   66   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   67   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   73   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   83   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   84   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   88   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   89   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.030000   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    39   317.000  1.510
   38    41   469.000  1.400
   38    59   469.000  1.400
   41    44   469.000  1.400
   41    46   450.000  1.364
   44    45   367.000  1.080
   44    48   469.000  1.400
   48    54   469.000  1.400
   48    55   450.000  1.364
   54    59   469.000  1.400
   54    60   450.000  1.364
   59    67   450.000  1.364
   67    78   320.000  1.410
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   60    68   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   55    61   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   46    49   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   39    40   340.000  1.080
   39    42   465.000  1.376
   42    43   745.000  1.250
   42    47   320.000  1.460
   47    53   469.000  1.400
   47    82   469.000  1.400
   53    56   469.000  1.400
   53    57   450.000  1.364
   56    65   469.000  1.400
   56    66   450.000  1.364
   65    72   469.000  1.400
   65    73   450.000  1.364
   72    82   469.000  1.400
   72    83   450.000  1.364
   82    88   450.000  1.364
   88    93   320.000  1.410
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   83    89   320.000  1.410
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   73    84   320.000  1.410
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   66    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   57    58   553.000  0.945
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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    59    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    42    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    44    63.00000  120.00000
   38    41    46    70.00000  120.00000
   38    59    54    63.00000  120.00000
   38    59    67    70.00000  120.00000
   41    44    45    35.00000  120.00000
   41    44    48    63.00000  120.00000
   41    46    49    75.00000  111.00000
   44    48    54    63.00000  120.00000
   44    48    55    70.00000  120.00000
   48    44    45    35.00000  120.00000
   48    54    59    63.00000  120.00000
   48    54    60    70.00000  120.00000
   48    55    61    75.00000  111.00000
   54    59    67    70.00000  120.00000
   54    60    68    75.00000  111.00000
   59    38    41    63.00000  120.00000
   59    67    78    75.00000  111.00000
   67    78    79    35.00000  109.50000
   67    78    80    35.00000  109.50000
   67    78    81    35.00000  109.50000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   60    54    59    70.00000  120.00000
   60    68    69    35.00000  109.50000
   60    68    70    35.00000  109.50000
   60    68    71    35.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   55    48    54    70.00000  120.00000
   55    61    62    35.00000  109.50000
   55    61    63    35.00000  109.50000
   55    61    64    35.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   46    41    44    70.00000  120.00000
   46    49    50    35.00000  109.50000
   46    49    51    35.00000  109.50000
   46    49    52    35.00000  109.50000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    42    43    65.00000  137.10300
   39    42    47    60.00000  123.20500
   42    39    40    40.00000  120.50800
   42    47    53    60.00000  120.93500
   42    47    82    60.00000  120.93500
   47    42    43    85.00000  114.86500
   47    53    56    63.00000  120.00000
   47    53    57    70.00000  120.00000
   47    82    72    63.00000  120.00000
   47    82    88    70.00000  120.00000
   53    56    65    63.00000  120.00000
   53    56    66    70.00000  120.00000
   53    57    58    35.00000  113.00000
   56    65    72    63.00000  120.00000
   56    65    73    70.00000  120.00000
   56    66    74    75.00000  111.00000
   65    72    82    63.00000  120.00000
   65    72    83    70.00000  120.00000
   65    73    84    75.00000  111.00000
   72    82    88    70.00000  120.00000
   72    83    89    75.00000  111.00000
   82    47    53    63.00000  120.00000
   82    88    93    75.00000  111.00000
   88    93    94    35.00000  109.50000
   88    93    95    35.00000  109.50000
   88    93    96    35.00000  109.50000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   83    72    82    70.00000  120.00000
   83    89    90    35.00000  109.50000
   83    89    91    35.00000  109.50000
   83    89    92    35.00000  109.50000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   73    65    72    70.00000  120.00000
   73    84    85    35.00000  109.50000
   73    84    86    35.00000  109.50000
   73    84    87    35.00000  109.50000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   66    56    65    70.00000  120.00000
   66    74    75    35.00000  109.50000
   66    74    76    35.00000  109.50000
   66    74    77    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   57    53    56    70.00000  120.00000
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    59  -0.16000  1.0 1.0
   29    33    38    59  -0.03200 -1.0 2.0
   29    33    38    59   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    42   0.42700  1.0 1.0
   29    33    39    42  -0.70350 -1.0 2.0
   29    33    39    42  -0.43150  1.0 3.0
   33    38    41    44   3.62500 -1.0 2.0
   33    38    41    46   3.62500 -1.0 2.0
   33    38    59    54   3.62500 -1.0 2.0
   33    38    59    67   3.62500 -1.0 2.0
   33    39    42    43   7.00000 -1.0 2.0
   33    39    42    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    59   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    42   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    42   1.44450  1.0 1.0
   38    33    39    42   0.06600 -1.0 2.0
   38    33    39    42   0.29250  1.0 3.0
   38    41    44    45   3.62500 -1.0 2.0
   38    41    44    48   3.62500 -1.0 2.0
   38    41    46    49   1.63200 -1.0 2.0
   38    59    67    78   1.63200 -1.0 2.0
   41    38    59    54   3.62500 -1.0 2.0
   41    38    59    67   3.62500 -1.0 2.0
   41    44   -48    54   3.62500 -1.0 2.0
   41    44    48    55   3.62500 -1.0 2.0
   41    46    49    50   0.08050  1.0 3.0
   41    46    49    51   0.08050  1.0 3.0
   41    46    49    52   0.08050  1.0 3.0
   44    41    46    49   1.63200 -1.0 2.0
   44    48    54    59   3.62500 -1.0 2.0
   44    48    54    60   3.62500 -1.0 2.0
   44    48    55    61   1.63200 -1.0 2.0
   45    44    48    54   3.62500 -1.0 2.0
   45    44    48    55   3.62500 -1.0 2.0
   48    54   -59    38   3.62500 -1.0 2.0
   48    54    59    67   3.62500 -1.0 2.0
   48    54    60    68   1.63200 -1.0 2.0
   48    55    61    62   0.08050  1.0 3.0
   48    55    61    63   0.08050  1.0 3.0
   48    55    61    64   0.08050  1.0 3.0
   54    48    55    61   1.63200 -1.0 2.0
   54    59    67    78   1.63200 -1.0 2.0
   54    60    68    69   0.08050  1.0 3.0
   54    60    68    70   0.08050  1.0 3.0
   54    60    68    71   0.08050  1.0 3.0
   59    38   -41    44   3.62500 -1.0 2.0
   59    38    41    46   3.62500 -1.0 2.0
   59    54    60    68   1.63200 -1.0 2.0
   59    67    78    79   0.08050  1.0 3.0
   59    67    78    80   0.08050  1.0 3.0
   59    67    78    81   0.08050  1.0 3.0
   60    54    59    38   3.62500 -1.0 2.0
   60    54    59    67   3.62500 -1.0 2.0
   55    48    54    59   3.62500 -1.0 2.0
   55    48    54    60   3.62500 -1.0 2.0
   46    41    44    45   3.62500 -1.0 2.0
   46    41    44    48   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    59   0.18050 -1.0 2.0
   39    42    47    53   0.15800  1.0 1.0
   39    42    47    53   1.85350 -1.0 2.0
   39    42    47    53  -0.48700  1.0 3.0
   39    42    47    82   0.15800  1.0 1.0
   39    42    47    82   1.85350 -1.0 2.0
   39    42    47    82  -0.48700  1.0 3.0
   40    39    42    43   7.00000 -1.0 2.0
   40    39    42    47   7.00000 -1.0 2.0
   42    47    53    56   3.62500 -1.0 2.0
   42    47    53    57   3.62500 -1.0 2.0
   42    47    82    72   3.62500 -1.0 2.0
   42    47    82    88   3.62500 -1.0 2.0
   43    42    47    53  -0.01750  1.0 1.0
   43    42    47    53  -0.32000 -1.0 2.0
   43    42    47    53   0.00600  1.0 3.0
   43    42    47    82  -0.01750  1.0 1.0
   43    42    47    82  -0.32000 -1.0 2.0
   43    42    47    82   0.00600  1.0 3.0
   47    53    56    65   3.62500 -1.0 2.0
   47    53    56    66   3.62500 -1.0 2.0
   47    53    57    58   0.84100 -1.0 2.0
   47    82    88    93   1.63200 -1.0 2.0
   53    47    82    72   3.62500 -1.0 2.0
   53    47    82    88   3.62500 -1.0 2.0
   53    56   -65    72   3.62500 -1.0 2.0
   53    56    65    73   3.62500 -1.0 2.0
   53    56    66    74   1.63200 -1.0 2.0
   56    53    57    58   0.84100 -1.0 2.0
   56    65    72    82   3.62500 -1.0 2.0
   56    65    72    83   3.62500 -1.0 2.0
   56    65    73    84   1.63200 -1.0 2.0
   56    66    74    75   0.08050  1.0 3.0
   56    66    74    76   0.08050  1.0 3.0
   56    66    74    77   0.08050  1.0 3.0
   65    56    66    74   1.63200 -1.0 2.0
   65    72   -82    47   3.62500 -1.0 2.0
   65    72    82    88   3.62500 -1.0 2.0
   65    72    83    89   1.63200 -1.0 2.0
   65    73    84    85   0.08050  1.0 3.0
   65    73    84    86   0.08050  1.0 3.0
   65    73    84    87   0.08050  1.0 3.0
   72    65    73    84   1.63200 -1.0 2.0
   72    82    88    93   1.63200 -1.0 2.0
   72    83    89    90   0.08050  1.0 3.0
   72    83    89    91   0.08050  1.0 3.0
   72    83    89    92   0.08050  1.0 3.0
   82    47   -53    56   3.62500 -1.0 2.0
   82    47    53    57   3.62500 -1.0 2.0
   82    72    83    89   1.63200 -1.0 2.0
   82    88    93    94   0.08050  1.0 3.0
   82    88    93    95   0.08050  1.0 3.0
   82    88    93    96   0.08050  1.0 3.0
   83    72    82    47   3.62500 -1.0 2.0
   83    72    82    88   3.62500 -1.0 2.0
   73    65    72    82   3.62500 -1.0 2.0
   73    65    72    83   3.62500 -1.0 2.0
   66    56    65    72   3.62500 -1.0 2.0
   66    56    65    73   3.62500 -1.0 2.0
   57    53    56    65   3.62500 -1.0 2.0
   57    53    56    66   3.62500 -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
   41    59    38    33   4.00000 -1.0 2.0
   44    46    41    38   4.00000 -1.0 2.0
   48    45    44    41   1.10000 -1.0 2.0
   54    55    48    44   4.00000 -1.0 2.0
   59    60    54    48   4.00000 -1.0 2.0
   54    67    59    38   4.00000 -1.0 2.0
   33    40    39    42  15.00000 -1.0 2.0
   47    43    42    39  15.00000 -1.0 2.0
   53    82    47    42   4.00000 -1.0 2.0
   56    57    53    47   4.00000 -1.0 2.0
   65    66    56    53   4.00000 -1.0 2.0
   72    73    65    56   4.00000 -1.0 2.0
   82    83    72    65   4.00000 -1.0 2.0
   72    88    82    47   4.00000 -1.0 2.0
END
