* LIGAND DATABASE FILE (OPLS2005)
*
001      95    99    192    309     575
    1     0 S   NP   _N1_     1    28.68866    97.21163   -22.67179
    2     1 S   H    _HN1     2     1.02950    68.42318    17.03803
    3     1 S   H    _H1_     3     1.02829    44.90781   164.60400
    4     1 S   H    _H2_     4     1.02785    99.15190   -89.18715
    5     1 S   CT   _CA1     5     1.50111   146.40440   111.75159
    6     5 S   HC   _HA1     6     1.09573   105.20071    96.22263
    7     5 S   CO3  _C1_     7     1.53791   112.46064   -24.01966
    8     7 S   O2Z  _O11     8     1.26372   115.00618   -42.54208
    9     7 S   O2Z  _O12     9     1.26241   114.94891   136.60442
   10     5 S   CT   _CB1    10     1.53082   107.42228  -145.78864
   11    10 S   HC   HB11    11     1.09832   109.38394   -49.72493
   12    10 S   HC   HB12    12     1.09813   110.44096    66.88602
   13    10 S   CT   _CG1    13     1.52986   112.60127  -170.70673
   14    13 S   HC   HG11    14     1.09584   110.61523   -65.32393
   15    13 S   HC   HG12    15     1.09669   109.80288    53.90701
   16    13 S   C    _CD1    16     1.51798   112.25108   174.36563
   17    16 S   O    _OE1    17     1.22727   123.29872     6.10907
   18    16 S   N    _N2_    18     1.38652   111.64852  -173.98966
   19    18 S   H    _HN2    19     1.01579   118.92995     1.87179
   20    18 S   CT1  _CA2    20     1.46204   123.40668   177.85251
   21    20 S   HC   _HA2    21     1.09736   109.37411     2.36786
   22    20 S   C    _C2_    22     1.53541   108.62085  -113.13645
   23    22 S   O    _O2_    23     1.23059   122.28020  -147.88420
   24    20 S   CT   _CB2    32     1.53348   111.53528   124.38786
   25    24 S   HC   HB21    33     1.09576   110.02879    56.17220
   26    24 S   HC   HB22    34     1.09442   109.96930   175.30890
   27    22 S   N    _N3_    24     1.38328   113.70291    39.56158
   28    27 S   H    _HN3    25     1.01588   119.58422    -3.32343
   29    24 S   S    _SG2    35     1.82731   111.42432   -64.91707
   30    27 S   CT   _CA3    26     1.45288   123.20839   177.11527
   31    30 S   HC   HA31    27     1.09549   107.50791   -64.56953
   32    30 S   HC   HA32    28     1.09556   107.98500    51.86605
   33    29 S   CT   _C17    36     1.85117   100.07891   167.51599
   34    33 S   HC   _H3_    37     1.09855   106.38959   -49.72471
   35    30 S   CO3  _C3_    29     1.52959   114.08589   173.86148
   36    35 S   O2Z  _O31    30     1.26376   116.06765    -0.80284
   37    35 S   O2Z  _O32    31     1.26429   114.41206   179.26113
   38    33 S   CT   _C9_    38     1.54320   110.33158    67.02439
   39    38 S   HC   _H37    39     1.09811   108.33283   -69.11915
   40    38 S   CO4  _C4_    40     1.52878   109.27115   174.54170
   41    40 S   O    _O23    41     1.23255   119.05951   120.76039
   42    38 S   OS   _O29    91     1.41959   111.56561    51.21691
   43    40 S   CT   _C18    42     1.55458   117.75360   -55.64644
   44    42 S   CT   _C25    92     1.42225   113.08124  -159.65113
   45    44 S   HC   _H58    93     1.09327   108.18934  -179.25612
   46    44 S   HC   _H59    94     1.09422   110.42875    62.15712
   47    44 S   HC   _H60    95     1.09386   110.98035   -60.35244
   48    43 S   CT   _C10    43     1.56768   102.17486    60.55024
   49    48 S   HC   _H38    44     1.10263   106.50351    52.65311
   50    43 S   CT   _C23    87     1.53980   108.74564   -61.30997
   51    50 S   HC   _H52    88     1.08575   113.48786  -170.87949
   52    50 S   HC   _H53    89     1.09097   113.54041    69.14377
   53    50 S   HC   _H54    90     1.09596   110.92371   -50.40656
   54    48 S   CT   _C7_    45     1.53956   112.37189   167.19170
   55    54 S   HC   _H33    46     1.09398   110.26900    67.30726
   56    54 S   HC   _H34    47     1.09535   109.52519  -175.62879
   57    33 S   CT   _C12    81     1.56384   111.56574  -165.38899
   58    57 S   HC   _H40    82     1.09545   109.60714   -57.62944
   59    54 S   CT   _C14    48     1.53998   112.10056   -58.06346
   60    59 S   HC   _H42    49     1.09786   107.63303  -178.75071
   61    57 S   CT   _C21    83     1.54229   111.03090    59.72996
   62    61 S   HC   _H46    84     1.09518   111.10730    66.46359
   63    61 S   HC   _H47    85     1.09311   112.58095   -54.70362
   64    61 S   HC   _H48    86     1.09438   111.09109  -172.60421
   65    59 S   CT   _C19    50     1.53640   112.43513    59.13958
   66    59 S   OS   _O25    65     1.44472   106.57804   -65.62325
   67    43 S   CT   _C11    51     1.57766   110.24509   177.06795
   68    67 S   HC   _H39    52     1.09899   103.36037   -42.08043
   69    65 S   CT   _C24    77     1.56237   106.26965    72.43827
   70    69 S   HC   _H55    78     1.09660   111.18820    62.49552
   71    69 S   HC   _H56    79     1.08892   113.31492   -54.72770
   72    69 S   HC   _H57    80     1.09147   113.48627  -177.76875
   73    67 S   CT   _C15    53     1.53855   116.03534    73.57746
   74    73 S   HC   _H43    54     1.09568   110.84986    72.67113
   75    73 S   CT   _C16    55     1.51371   109.98612  -163.81908
   76    75 S   HC   _H44    56     1.09892   110.72004    61.53570
   77    75 S   CT   _C13    57     1.52926   112.70492   -62.05684
   78    77 S   HC   _H41    58     1.09803   108.81263   -64.09663
   79    75 S   OS   _O27    72     1.42685   101.42932   173.51161
   80    65 S   CT   _C20    59     1.58189   108.91846  -171.40470
   81    77 S   CT   _C22    68     1.53550   109.98240  -178.10071
   82    81 S   HC   _H49    69     1.09451   111.81842   -59.78063
   83    81 S   HC   _H50    70     1.09379   111.52125   178.72206
   84    81 S   HC   _H51    71     1.09565   110.50357    59.76315
   85    79 S   CO   _C8_    73     1.44142   102.52437   -37.38816
   86    85 S   HC   _H35    74     1.09402   109.61572  -104.76759
   87    85 S   HC   _H36    75     1.09403   109.08625   135.11421
   88    80 S   CT   _C6_    60     1.53595   111.00474    50.56560
   89    88 S   HC   _H31    61     1.09760   109.50836  -162.76500
   90    88 S   HC   _H32    62     1.09405   112.02036    78.24555
   91    80 S   OH   _O28    66     1.43860   108.30670   -65.69055
   92    91 S   HO   _H61    67     0.97154   109.05602   175.26526
   93    73 S   OS   _O26    76     1.42411   118.23680   -48.68244
   94    88 S   CO4  _C5_    63     1.50488   115.56729   -43.27589
   95    94 S   O    _O24    64     1.22876   121.26890  -153.12454
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  17   8   2   1   1  15   6  16   5   6  22   3   2   1   1  21
   9   9   3   2   1  13   6   5   7   4  16   6   3   2   1   1
  21   8  16   6   8   3   2   1  12   6  15   7  15   8   6  11
   5   2   1   1   3   2   1   6   4   3   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    57    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    57    58    61    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    48    49    54    57    58    61    62    63    64    42    44  
   38    39    40    48    57    58    61    42  
   36    37  
   37  
    0  
   39    40    41    43    48    67    57    58    61    50    42    44    45    46    47  
   40    41    43    57    42    44  
   41    43    48    49    54    65    67    68    73    57    50    51    52    53    42    44  
   43    48    67    50    42  
   44    45    46    47    43    57  
   48    49    54    55    56    59    65    67    68    73    74    75    80    93    69    57    58    61    50    51    52    53  
   45    46    47  
   46    47  
   47  
    0  
   49    54    55    56    59    60    65    67    68    73    66    57    58    61    62    63    64    50    51    52    53  
   54    55    56    59    67    57    58    61    50  
   51    52    53    54    57    65    67    68    73  
   52    53    67  
   53    67  
   67  
   55    56    59    60    65    67    80    94    66    69    57    58    61  
   56    59    60    65    66    57  
   59    60    65    66    57  
   58    61    62    63    64    59    67  
   61    62    63    64  
   60    65    67    68    73    77    80    88    94    95    66    91    69    70    71    72  
   65    67    80    94    66    69  
   62    63    64  
   63    64  
   64  
    0  
   67    68    73    74    75    77    78    80    88    89    90    94    66    91    92    81    93    69    70    71    72  
   69    67    80    88    89    90    94    95  
   68    73    74    75    76    77    80    88    91    79    85    93    69    70    71    72  
   73    74    75    80    93    69  
   70    71    72    73    77    80    88    91  
   71    72    80  
   72    80  
   80  
   74    75    76    77    78    80    81    79    85    86    87    93  
   75    76    77    79    85    93  
   76    77    78    80    88    91    81    82    83    84    79    85    86    87    93  
   77    78    80    81    79    85    93  
   78    80    88    89    90    94    91    92    81    82    83    84    79    85    93  
   80    88    91    81    82    83    84    79  
   85    86    87    93    80    81  
   88    89    90    94    95    91    92    81    82    83    84  
   82    83    84    88    91  
   83    84  
   84  
    0  
   86    87    93  
   87    93  
   93  
   89    90    94    95    91    92  
   90    94    95    91  
   94    95    91  
   92    94  
    0  
    0  
   95  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   90   2.4200   0.0150   0.060000   1.3810   1.2100   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
   93   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   94   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   95   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    57   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   320.000  1.410
   40    41   570.000  1.229
   40    43   317.000  1.522
   43    48   268.000  1.529
   43    67   268.000  1.529
   43    50   268.000  1.529
   48    49   340.000  1.090
   48    54   268.000  1.529
   48    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   268.000  1.529
   59    60   340.000  1.090
   59    65   268.000  1.529
   59    66   320.000  1.410
   65    67   268.000  1.529
   65    80   268.000  1.529
   65    69   268.000  1.529
   67    68   340.000  1.090
   67    73   268.000  1.529
   73    74   340.000  1.090
   73    75   268.000  1.529
   73    93   320.000  1.410
   75    76   340.000  1.090
   75    77   268.000  1.529
   75    79   320.000  1.410
   77    78   340.000  1.090
   77    80   268.000  1.529
   77    81   268.000  1.529
   80    88   268.000  1.529
   80    91   320.000  1.410
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    94   317.000  1.522
   94    95   570.000  1.229
   94    66   214.000  1.327
   91    92   553.000  0.945
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   79    85   320.000  1.380
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    93   320.000  1.380
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   57    58   340.000  1.090
   57    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   42    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    57    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    50.00000  109.50000
   33    57    48    58.35000  112.70000
   33    57    58    37.50000  110.70000
   33    57    61    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    43    70.00000  116.00000
   38    42    44    60.00000  109.50000
   40    38    39    35.00000  109.50000
   40    43    48    63.00000  111.10000
   40    43    67    63.00000  111.10000
   40    43    50    63.00000  111.10000
   43    40    41    80.00000  120.40000
   43    48    49    37.50000  110.70000
   43    48    54    58.35000  112.70000
   43    48    57    58.35000  112.70000
   43    67    65    58.35000  112.70000
   43    67    68    37.50000  110.70000
   43    67    73    58.35000  112.70000
   43    50    51    37.50000  110.70000
   43    50    52    37.50000  110.70000
   43    50    53    37.50000  110.70000
   48    54    55    37.50000  110.70000
   48    54    56    37.50000  110.70000
   48    54    59    58.35000  112.70000
   48    57    58    37.50000  110.70000
   48    57    61    58.35000  112.70000
   54    48    49    37.50000  110.70000
   54    59    60    37.50000  110.70000
   54    59    65    58.35000  112.70000
   54    59    66    50.00000  109.50000
   56    54    55    33.00000  107.80000
   59    54    55    37.50000  110.70000
   59    54    56    37.50000  110.70000
   59    65    67    58.35000  112.70000
   59    65    80    58.35000  112.70000
   59    65    69    58.35000  112.70000
   59    66    94    83.00000  116.90000
   65    59    60    37.50000  110.70000
   65    67    68    37.50000  110.70000
   65    67    73    58.35000  112.70000
   65    80    77    58.35000  112.70000
   65    80    88    58.35000  112.70000
   65    80    91    50.00000  109.50000
   65    69    70    37.50000  110.70000
   65    69    71    37.50000  110.70000
   65    69    72    37.50000  110.70000
   67    43    48    58.35000  112.70000
   67    73    74    37.50000  110.70000
   67    73    75    58.35000  112.70000
   67    73    93    50.00000  109.50000
   73    67    68    37.50000  110.70000
   73    75    76    37.50000  110.70000
   73    75    77    58.35000  112.70000
   73    75    79    50.00000  109.50000
   73    93    85    60.00000  109.50000
   75    73    74    37.50000  110.70000
   75    77    78    37.50000  110.70000
   75    77    80    58.35000  112.70000
   75    77    81    58.35000  112.70000
   75    79    85    60.00000  109.50000
   77    75    76    37.50000  110.70000
   77    80    88    58.35000  112.70000
   77    80    91    50.00000  109.50000
   77    81    82    37.50000  110.70000
   77    81    83    37.50000  110.70000
   77    81    84    37.50000  110.70000
   80    65    67    58.35000  112.70000
   80    77    78    37.50000  110.70000
   80    88    89    37.50000  110.70000
   80    88    90    37.50000  110.70000
   80    88    94    63.00000  111.10000
   80    91    92    55.00000  108.50000
   88    94    95    80.00000  120.40000
   88    94    66    81.00000  111.40000
   90    88    89    33.00000  107.80000
   94    88    89    35.00000  109.50000
   94    88    90    35.00000  109.50000
   66    59    60    35.00000  109.50000
   66    59    65    50.00000  109.50000
   66    94    95    83.00000  123.40000
   91    80    88    50.00000  109.50000
   81    77    78    37.50000  110.70000
   81    77    80    58.35000  112.70000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   79    75    76    35.00000  109.50000
   79    75    77    50.00000  109.50000
   79    85    86    35.00000  109.50000
   79    85    87    35.00000  109.50000
   79    85    93    92.60000  111.55000
   87    85    86    33.00000  109.50000
   93    73    74    35.00000  109.50000
   93    73    75    50.00000  109.50000
   93    85    86    35.00000  109.50000
   93    85    87    35.00000  109.50000
   69    65    67    58.35000  112.70000
   69    65    80    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   57    33    34    37.50000  110.70000
   57    33    38    58.35000  112.70000
   57    48    49    37.50000  110.70000
   57    48    54    58.35000  112.70000
   57    61    62    37.50000  110.70000
   57    61    63    37.50000  110.70000
   57    61    64    37.50000  110.70000
   61    57    58    37.50000  110.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   50    43    48    58.35000  112.70000
   50    43    67    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    90.00000  108.74100
   42    44    45    35.00000  109.50000
   42    44    46    35.00000  109.50000
   42    44    47    35.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    57    48   0.44750  1.0 1.0
   29    33    57    48  -0.17800 -1.0 2.0
   29    33    57    48   0.20200  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    61   0.44750  1.0 1.0
   29    33    57    61  -0.17800 -1.0 2.0
   29    33    57    61   0.20200  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38    40    43   0.60050  1.0 1.0
   33    38    40    43   0.05600 -1.0 2.0
   33    38    40    43   0.26150  1.0 3.0
   33    38    42    44   0.06250  1.0 1.0
   33    38    42    44  -0.01100 -1.0 2.0
   33    38    42    44   0.28050  1.0 3.0
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   50    43    67    65  -0.07550 -1.0 2.0
   50    43    67    65   0.20000  1.0 3.0
   50    43    67    68   0.15000  1.0 3.0
   50    43    67    73   0.56750  1.0 1.0
   50    43    67    73  -0.07550 -1.0 2.0
   50    43    67    73   0.20000  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    43   0.55300  1.0 1.0
   42    38    40    43   1.25850 -1.0 2.0
   42    38    40    43  -0.23600  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   38    43    40    41  10.50000 -1.0 2.0
   88    66    94    95  10.50000 -1.0 2.0
END
