* LIGAND DATABASE FILE (OPLS2005)
*
001      88    91    160    256     470
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02048    75.98517    60.49177
    3     1 S   H    _H1_     3     1.02171    38.68009  -152.28734
    4     1 S   H    _H2_     4     1.02140   101.09559   -46.23117
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03433
    7     5 S   CO3  _C1_     7     1.53829   109.33942   -68.17175
    8     7 S   O2Z  _O11     8     1.25154   118.46701   -27.32737
    9     7 S   O2Z  _O12     9     1.24898   117.24946   152.26555
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74439
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98761
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54893
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08486   106.38580   -11.13132
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09630
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71931
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52763  -172.12613
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27908
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C22    36     1.80604    98.14668  -178.23764
   34    33 S   HC   _H20    37     1.09400   108.78647    41.25015
   35    33 S   HC   _H21    38     1.09376   108.79913   158.77924
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   39    33 S   CT   _C14    39     1.52359   110.59255   -79.97804
   40    39 S   HC   _H5_    40     1.09548   108.67751    45.65633
   41    39 S   CT   _C13    41     1.52561   112.94936   -79.63852
   42    41 S   HC   _H4_    42     1.09423   113.50066    33.42420
   43    41 S   CT   _C16    43     1.51897   101.95172   -88.05036
   44    43 S   HC   _H7_    44     1.09814   109.27932    82.15672
   45    41 S   N    _N4_    64     1.44674   110.66567   152.55616
   46    45 S   H    _H14    65     1.01405   119.05219    86.48542
   47    43 S   CO   _C15    45     1.52281   102.47829   -35.95293
   48    47 S   HC   _H6_    46     1.09628   111.45373   -87.69213
   49    43 S   OH   _O35    62     1.41431   113.26429  -157.19073
   50    49 S   HO   _H15    63     0.97245   107.16483   -59.95535
   51    45 S   C    _C12    66     1.38469   121.94612   -93.54238
   52    51 S   O    _O33    67     1.22974   124.88849     0.06561
   53    47 S   N*   _N5_    47     1.46980   108.75633   156.03080
   54    39 S   OS   _O34    61     1.44105   108.21549   162.90744
   55    51 S   CT1  _C11    68     1.51965   112.27893  -179.89721
   56    55 S   HC   _H3_    69     1.09635   108.29910    -0.09487
   57    53 S   CRAB _C17    48     1.54931   122.47964   -90.14381
   58    57 S   HA   _H16    49     1.09886   123.89307     0.07402
   59    55 S   CT   _C10    70     1.53633   113.66119  -121.51446
   60    59 S   HC   _H12    71     1.09888   109.11780  -176.45790
   61    59 S   HC   _H13    72     1.09952   109.02324   -62.27459
   62    55 S   NP   _N10    85     1.49192   110.40171   114.25644
   63    62 S   H    _H22    86     1.02276   110.51952   -25.87184
   64    62 S   H    _H23    87     1.02289   110.53178  -145.85986
   65    62 S   H    _H24    88     1.02259   110.53338    94.08993
   66    57 S   NNA  _N6_    50     1.29773   111.44449  -179.96044
   67    59 S   CA   _C9_    73     1.50427   115.30860    60.96916
   68    66 S   C56B _C18    51     1.38172   104.04349     0.05234
   69    67 S   CA   _C4_    74     1.39505   120.01659   -90.03331
   70    69 S   HA   _H8_    75     1.08673   120.45483     0.04846
   71    68 S   CA   _C19    52     1.34535   130.11658   179.97202
   72    69 S   CA   _C5_    76     1.39429   120.00536  -179.92867
   73    72 S   HA   _H9_    77     1.08664   119.67047  -180.00000
   74    71 S   NB   _N7_    53     1.39215   118.26276   179.96574
   75    71 S   NND  _N9_    58     1.37349   120.00245    -0.01978
   76    75 S   H    _H18    59     0.99202   118.17798     0.01978
   77    75 S   H    _H19    60     0.99237   118.09872   179.96044
   78    72 S   CA   _C6_    78     1.39517   120.01687    -0.05595
   79    74 S   CQ   _C20    54     1.30251   120.40996     0.00000
   80    79 S   HA   _H17    55     1.10128   118.53171   179.94065
   81    78 S   CA   _C7_    79     1.39505   119.97775     0.05234
   82    81 S   HA   _H10    80     1.08575   120.33645   179.97202
   83    78 S   OH   _O36    83     1.36093   119.97482   179.96044
   84    83 S   HO   _H25    84     0.97141   110.23530   179.98022
   85    79 S   NB   _N8_    56     1.33315   130.03823    -0.01978
   86    67 S   CA   _C8_    81     1.39522   119.98866    90.04689
   87    86 S   HA   _H11    82     1.08667   120.51122    -0.14402
   88    53 S   C56A _C21    57     1.23390   131.92537    89.96890
  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   7   5   4   3
  10   5   4   2   1   1  13   6  14   8  12   7  10   3  11   5
   3   1  11   4   9   2  11   8   6   3  13   5   4   4   2   1
   1   6   9   8   8   4   8   7   3   7   4   1   1   6   3   2
   5   3   2   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    54  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    47    54    45  
   35    39    40    41    54  
   39    40    41    54  
   37    38  
   38  
    0  
   40    41    42    43    44    47    48    53    54    49    45    46    51  
   41    42    43    47    54    45  
   42    43    44    47    48    53    54    49    50    45    46    51    52    55  
   43    44    47    54    49    45    46    51  
   44    47    48    53    57    88    54    49    50    45    46    51  
   47    48    53    54    49    50    45  
   46    51    52    55    56    59    62    47    49    54  
   51    52    55  
   48    53    57    58    66    68    85    88    54    49    50  
   53    57    88    54    49  
   50    53    54  
    0  
   52    55    56    59    60    61    67    62    63    64    65  
   55    56    59    62  
   57    58    66    68    71    79    85    88    54  
   57    88  
   56    59    60    61    67    69    86    62    63    64    65  
   59    60    61    67    62    63    64    65  
   58    66    68    71    85    88  
   66    68    88  
   60    61    67    69    70    72    81    86    87    62    63    64    65  
   61    67    69    86    62  
   67    69    86    62  
   63    64    65    67  
   64    65  
   65  
    0  
   68    71    74    85    88    75  
   69    70    72    73    78    81    82    86    87  
   71    74    79    85    88    75    76    77  
   70    72    73    78    81    86    87    83  
   72    73    78    86  
   74    79    80    85    88    75    76    77  
   73    78    81    82    86    83    84  
   78    81    83  
   79    80    85    88    75    76    77  
   76    77    79    88  
   77  
    0  
   81    82    86    87    83    84  
   80    85    88  
   85    88  
   82    86    87    83    84  
   86    87    83  
   84    86  
    0  
   88  
   87  
    0  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   46   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   47   3.5000   0.0660   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   53   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   54   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   63   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   64   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   65   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5000   0.0800   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5000   0.0800   0.440000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.2500   0.1700  -0.530000   1.8000   1.6000   0.001000000  -0.511443539
   75   3.2500   0.1700  -0.810000   1.8650   1.6500   0.051222218  -2.220205820
   76   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   77   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   79   3.5000   0.0800   0.220000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   83   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.2500   0.1700  -0.550000   1.8000   1.6000   0.001000000  -0.511443539
   86   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   87   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   88   3.5000   0.0800   0.380000   2.5000   1.7750   0.001000000  -0.843144165
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    54   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   337.000  1.449
   43    44   340.000  1.090
   43    47   250.000  1.527
   43    49   320.000  1.410
   47    48   340.000  1.090
   47    53   275.000  1.479
   47    54   320.000  1.380
   53    57   440.000  1.371
   53    88   436.000  1.374
   57    58   367.000  1.080
   57    66   529.000  1.304
   66    68   414.000  1.391
   68    71   469.000  1.404
   68    88   447.000  1.419
   71    74   483.000  1.339
   71    75   481.000  1.340
   74    79   502.000  1.324
   79    80   367.000  1.080
   79    85   502.000  1.324
   85    88   461.000  1.354
   75    76   434.000  1.010
   75    77   434.000  1.010
   49    50   553.000  0.945
   45    46   434.000  1.010
   45    51   490.000  1.335
   51    52   570.000  1.229
   51    55   317.000  1.522
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    62   367.000  1.471
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    67   317.000  1.510
   67    69   469.000  1.400
   67    86   469.000  1.400
   69    70   367.000  1.080
   69    72   469.000  1.400
   72    73   367.000  1.080
   72    78   469.000  1.400
   78    81   469.000  1.400
   78    83   450.000  1.364
   81    82   367.000  1.080
   81    86   469.000  1.400
   86    87   367.000  1.080
   83    84   553.000  0.945
   62    63   434.000  1.010
   62    64   434.000  1.010
   62    65   434.000  1.010
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    54    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    45    70.00000  110.72300
   39    54    47    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    47    75.00000  109.43000
   41    43    49    50.00000  109.50000
   41    45    46    38.00000  118.40000
   41    45    51    50.00000  121.90000
   43    41    42    37.50000  110.70000
   43    47    48    45.00000  112.01100
   43    47    53    75.00000  107.44000
   43    47    54    90.00000  108.56700
   43    49    50    55.00000  108.50000
   47    43    44    45.00000  108.72000
   47    53    57    70.00000  128.80000
   47    53    88    70.00000  125.80000
   53    47    48    55.00000  103.44000
   53    57    58    35.00000  123.05000
   53    57    66    70.00000  113.90000
   53    88    68    70.00000  106.20000
   53    88    85    70.00000  126.20000
   57    66    68    70.00000  103.80000
   66    57    58    35.00000  123.05000
   66    68    71    70.00000  132.40000
   66    68    88    70.00000  110.40000
   68    71    74    70.00000  117.30000
   68    71    75    70.00000  123.50000
   68    88    85    70.00000  127.70000
   71    74    79    70.00000  118.60000
   71    75    76    35.00000  120.00000
   71    75    77    35.00000  120.00000
   74    79    80    35.00000  115.45000
   74    79    85    70.00000  129.10000
   79    85    88    70.00000  111.00000
   85    79    80    35.00000  115.45000
   88    53    57    70.00000  105.40000
   88    68    71    85.00000  116.20000
   75    71    74    70.00000  119.30000
   77    75    76    35.00000  120.00000
   54    39    40    35.00000  109.50000
   54    39    41    50.00000  109.50000
   54    47    48    35.00000  109.50000
   54    47    53   105.00000  106.22000
   49    43    44    35.00000  109.50000
   49    43    47    90.00000  111.58700
   45    41    42    35.00000  109.50000
   45    41    43    70.00000  110.72300
   45    51    52    80.00000  122.90000
   45    51    55    70.00000  116.60000
   51    45    46    35.00000  119.80000
   51    55    56    35.00000  109.50000
   51    55    59    63.00000  111.10000
   51    55    62    80.00000  111.20000
   55    51    52    80.00000  120.40000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    67    63.00000  114.00000
   55    62    63    35.00000  109.50000
   55    62    64    35.00000  109.50000
   55    62    65    35.00000  109.50000
   59    55    56    37.50000  110.70000
   59    67    69    70.00000  120.00000
   59    67    86    70.00000  120.00000
   61    59    60    33.00000  107.80000
   67    59    60    35.00000  109.50000
   67    59    61    35.00000  109.50000
   67    69    70    35.00000  120.00000
   67    69    72    63.00000  120.00000
   67    86    81    63.00000  120.00000
   67    86    87    35.00000  120.00000
   69    72    73    35.00000  120.00000
   69    72    78    63.00000  120.00000
   72    69    70    35.00000  120.00000
   72    78    81    63.00000  120.00000
   72    78    83    70.00000  120.00000
   78    72    73    35.00000  120.00000
   78    81    82    35.00000  120.00000
   78    81    86    63.00000  120.00000
   78    83    84    35.00000  113.00000
   81    86    87    35.00000  120.00000
   86    67    69    63.00000  120.00000
   86    81    82    35.00000  120.00000
   83    78    81    70.00000  120.00000
   62    55    56    35.00000  109.50000
   62    55    59    80.00000  111.20000
   64    62    63    35.00000  109.50000
   65    62    63    35.00000  109.50000
   65    62    64    35.00000  109.50000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    54   0.56750  1.0 1.0
   29    33    39    54  -0.07550 -1.0 2.0
   29    33    39    54   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    45   0.43900  1.0 1.0
   33    39    41    45   0.49100 -1.0 2.0
   33    39    41    45   0.28400  1.0 3.0
   33    39    54    47   0.06250  1.0 1.0
   33    39    54    47  -0.01100 -1.0 2.0
   33    39    54    47   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    54   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    54   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41   -43    47   3.97050  1.0 1.0
   39    41    43    49   0.86500  1.0 1.0
   39    41    43    49  -0.17500 -1.0 2.0
   39    41    43    49   0.20800  1.0 3.0
   39    41    45    46   0.00000  1.0 1.0
   39    41    45    51  -0.43950  1.0 1.0
   39    41    45    51  -0.08100 -1.0 2.0
   39    41    45    51   0.03350  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.15000  1.0 3.0
   40    39    54    47   0.37050  1.0 3.0
   41    39   -54    47   0.06250  1.0 1.0
   41    39   -54    47  -0.01100 -1.0 2.0
   41    39   -54    47   0.28050  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43    47    53  -0.64600  1.0 1.0
   41    43    47    53   0.58400 -1.0 2.0
   41    43   -47    54   0.62750  1.0 1.0
   41    43   -47    54  -0.30950 -1.0 2.0
   41    43   -47    54   0.27300  1.0 3.0
   41    43    49    50  -0.11600  1.0 1.0
   41    43    49    50  -0.09450 -1.0 2.0
   41    43    49    50   0.21250  1.0 3.0
   41    45    51    52   3.04450 -1.0 2.0
   41    45    51    55   1.15000  1.0 1.0
   41    45    51    55   3.04450 -1.0 2.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    43    49   0.23400  1.0 3.0
   42    41    45    46   0.00000  1.0 1.0
   42    41    45    51   0.00000  1.0 1.0
   43    41    45    46   0.00000  1.0 1.0
   43    41    45    51  -0.43950  1.0 1.0
   43    41    45    51  -0.08100 -1.0 2.0
   43    41    45    51   0.03350  1.0 3.0
   43    47    53    57   1.10250  1.0 1.0
   43    47    53    57   0.01650 -1.0 2.0
   43    47    53    57   0.39100  1.0 3.0
   43    47    53    88   1.10250  1.0 1.0
   43    47    53    88   0.01650 -1.0 2.0
   43    47    53    88   0.39100  1.0 3.0
   43    47   -54    39   0.06250  1.0 1.0
   43    47   -54    39  -0.01100 -1.0 2.0
   43    47   -54    39   0.28050  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    53   0.15000  1.0 3.0
   44    43    47    54   0.23400  1.0 3.0
   44    43    49    50   0.19450  1.0 3.0
   47    43    49    50  -0.11600  1.0 1.0
   47    43    49    50  -0.09450 -1.0 2.0
   47    43    49    50   0.21250  1.0 3.0
   47    53    57    58   3.62500 -1.0 2.0
   47    53    57    66   3.62500 -1.0 2.0
   47    53    88    68   0.81400  1.0 1.0
   47    53    88    68   1.55550 -1.0 2.0
   47    53    88    85   3.62500 -1.0 2.0
   48    47    53    57   0.00000  1.0 1.0
   48    47    53    88   0.00000  1.0 1.0
   48    47    54    39   0.37050  1.0 3.0
   53    47    54    39  -2.37750  1.0 1.0
   53    47    54    39  -0.08150 -1.0 2.0
   53    47    54    39   0.59000  1.0 3.0
   53    57   -66    68   3.62500 -1.0 2.0
   57    53   -88    68   0.70250  1.0 1.0
   57    53   -88    68   1.56150 -1.0 2.0
   57    53    88    85   3.62500 -1.0 2.0
   57    66    68    71   3.62500 -1.0 2.0
   57    66   -68    88   3.62500 -1.0 2.0
   58    57    66    68   3.62500 -1.0 2.0
   66    68    71    74   3.62500 -1.0 2.0
   66    68    71    75   3.62500 -1.0 2.0
   66    68   -88    53   3.62500 -1.0 2.0
   66    68    88    85   3.62500 -1.0 2.0
   68    71    74    79   3.62500 -1.0 2.0
   68    71    75    76   0.70000 -1.0 2.0
   68    71    75    77   0.70000 -1.0 2.0
   71    68    88    53   3.00000 -1.0 2.0
   71    68    88    85   3.62500 -1.0 2.0
   71    74    79    80   3.62500 -1.0 2.0
   71    74   -79    85   3.62500 -1.0 2.0
   74    71    75    76   0.70000 -1.0 2.0
   74    71    75    77   0.70000 -1.0 2.0
   74    79    85    88   3.62500 -1.0 2.0
   79    85    88    53   3.62500 -1.0 2.0
   79    85   -88    68   3.62500 -1.0 2.0
   80    79    85    88   3.62500 -1.0 2.0
   88    53    57    58   3.62500 -1.0 2.0
   88    53   -57    66   3.62500 -1.0 2.0
   88    68   -71    74   3.62500 -1.0 2.0
   88    68    71    75   3.62500 -1.0 2.0
   75    71    74    79   3.62500 -1.0 2.0
   54    39    41    42   0.23400  1.0 3.0
   54    39   -41    43   0.62750  1.0 1.0
   54    39   -41    43  -0.30950 -1.0 2.0
   54    39   -41    43   0.27300  1.0 3.0
   54    39    41    45   1.12100  1.0 1.0
   54    39    41    45  -0.16500 -1.0 2.0
   54    47    53    57   0.10350  1.0 1.0
   54    47    53    57  -0.15350 -1.0 2.0
   54    47    53    88   0.10350  1.0 1.0
   54    47    53    88  -0.15350 -1.0 2.0
   49    43    47    48   0.23400  1.0 3.0
   49    43    47    53   2.76900  1.0 1.0
   49    43    47    53  -0.24350 -1.0 2.0
   49    43    47    53  -0.78250  1.0 3.0
   49    43    47    54   3.69350  1.0 1.0
   49    43    47    54  -1.82950 -1.0 2.0
   45    41    43    44   0.15000  1.0 3.0
   45    41    43    47  -0.27100  1.0 1.0
   45    41    43    47  -0.01700 -1.0 2.0
   45    41    43    47  -0.48600  1.0 3.0
   45    41    43    49   2.76900  1.0 1.0
   45    41    43    49  -0.24350 -1.0 2.0
   45    41    43    49  -0.78250  1.0 3.0
   45    51    55    56   0.00000  1.0 1.0
   45    51    55    59   0.93250  1.0 1.0
   45    51    55    59   0.04450 -1.0 2.0
   45    51    55    59   0.17550  1.0 3.0
   45    51    55    62   0.37150  1.0 1.0
   45    51    55    62   1.25400 -1.0 2.0
   45    51    55    62  -0.40250  1.0 3.0
   46    45    51    52   2.45000 -1.0 2.0
   46    45    51    55   2.45000 -1.0 2.0
   51    55    59    60  -0.03800  1.0 3.0
   51    55    59    61  -0.03800  1.0 3.0
   51    55    59    67  -0.84850  1.0 1.0
   51    55    59    67  -0.22800 -1.0 2.0
   51    55    59    67   0.29250  1.0 3.0
   51    55    62    63   0.17350  1.0 3.0
   51    55    62    64   0.17350  1.0 3.0
   51    55    62    65   0.17350  1.0 3.0
   52    51    55    56   0.00000  1.0 1.0
   52    51    55    59   0.00000  1.0 1.0
   52    51    55    62   0.00000  1.0 1.0
   55    59    67    69   0.00000  1.0 1.0
   55    59    67    86   0.00000  1.0 1.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    61   0.15000  1.0 3.0
   56    55    59    67   0.23100  1.0 3.0
   56    55    62    63   0.13050  1.0 3.0
   56    55    62    64   0.13050  1.0 3.0
   56    55    62    65   0.13050  1.0 3.0
   59    55    62    63   0.17350  1.0 3.0
   59    55    62    64   0.17350  1.0 3.0
   59    55    62    65   0.17350  1.0 3.0
   59    67    69    70   3.62500 -1.0 2.0
   59    67    69    72   3.62500 -1.0 2.0
   59    67    86    81   3.62500 -1.0 2.0
   59    67    86    87   3.62500 -1.0 2.0
   60    59    67    69   0.00000  1.0 1.0
   60    59    67    86   0.00000  1.0 1.0
   61    59    67    69   0.00000  1.0 1.0
   61    59    67    86   0.00000  1.0 1.0
   67    69    72    73   3.62500 -1.0 2.0
   67    69    72    78   3.62500 -1.0 2.0
   69    67    86    81   3.62500 -1.0 2.0
   69    67    86    87   3.62500 -1.0 2.0
   69    72   -78    81   3.62500 -1.0 2.0
   69    72    78    83   3.62500 -1.0 2.0
   70    69    72    73   3.62500 -1.0 2.0
   70    69    72    78   3.62500 -1.0 2.0
   72    78    81    82   3.62500 -1.0 2.0
   72    78    81    86   3.62500 -1.0 2.0
   72    78    83    84   0.84100 -1.0 2.0
   73    72    78    81   3.62500 -1.0 2.0
   73    72    78    83   3.62500 -1.0 2.0
   78    81   -86    67   3.62500 -1.0 2.0
   78    81    86    87   3.62500 -1.0 2.0
   81    78    83    84   0.84100 -1.0 2.0
   82    81    86    67   3.62500 -1.0 2.0
   82    81    86    87   3.62500 -1.0 2.0
   86    67    69    70   3.62500 -1.0 2.0
   86    67   -69    72   3.62500 -1.0 2.0
   83    78    81    82   3.62500 -1.0 2.0
   83    78    81    86   3.62500 -1.0 2.0
   62    55    59    60   0.23200  1.0 3.0
   62    55    59    61   0.23200  1.0 3.0
   62    55    59    67   0.42250  1.0 1.0
   62    55    59    67  -0.48100 -1.0 2.0
   62    55    59    67   0.35650  1.0 3.0
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
   37    30    36    38  10.50000 -1.0 2.0
   57    88    53    47   4.00000 -1.0 2.0
   66    58    57    53   1.10000 -1.0 2.0
   71    88    68    66   4.00000 -1.0 2.0
   74    75    71    68   4.00000 -1.0 2.0
   85    80    79    74   1.10000 -1.0 2.0
   68    85    88    53   4.00000 -1.0 2.0
   77    71    75    76   1.00000 -1.0 2.0
   46    51    45    41   1.00000 -1.0 2.0
   45    55    51    52  10.50000 -1.0 2.0
   69    86    67    59   4.00000 -1.0 2.0
   72    70    69    67   1.10000 -1.0 2.0
   78    73    72    69   1.10000 -1.0 2.0
   81    83    78    72   4.00000 -1.0 2.0
   86    82    81    78   1.10000 -1.0 2.0
   81    87    86    67   1.10000 -1.0 2.0
END
