* LIGAND DATABASE FILE (OPLS2005)
*
001      88    92    161    258     460
    1     0 S   NP   _N1_     1    29.01606    94.80546   -19.03003
    2     1 S   H    _HN1     2     1.02779    71.56456   -93.65631
    3     1 S   H    _H1_     3     1.02860    97.28612    13.25481
    4     1 S   H    _H2_     4     1.02973    43.27997   120.67418
    5     1 S   CT   _CA1     5     1.50562   147.08850   163.83164
    6     5 S   HC   _HA1     6     1.09672   104.68948    34.16420
    7     5 S   CO3  _C1_     7     1.54565   110.92451   -81.70140
    8     7 S   O2Z  _O11     8     1.26061   116.76238  -125.71487
    9     7 S   O2Z  _O12     9     1.26576   113.67925    53.34221
   10     5 S   CT   _CB1    10     1.53060   106.95253   150.47126
   11    10 S   HC   HB11    11     1.09827   110.22836   -40.85822
   12    10 S   HC   HB12    12     1.09807   109.87383    75.75469
   13    10 S   CT   _CG1    13     1.53046   112.45272  -161.59344
   14    13 S   HC   HG11    14     1.09448   110.72267   -49.64865
   15    13 S   HC   HG12    15     1.09608   110.21255    69.21602
   16    13 S   C    _CD1    16     1.51716   111.56433  -170.77557
   17    16 S   O    _OE1    17     1.22765   123.08566   -21.82406
   18    16 S   N    _N2_    18     1.38447   111.85404   158.72806
   19    18 S   H    _HN2    19     1.01496   119.09503     2.70993
   20    18 S   CT1  _CA2    20     1.46038   123.44631  -174.14569
   21    20 S   HC   _HA2    21     1.09697   109.46594   -15.21909
   22    20 S   C    _C2_    22     1.53206   108.27034  -131.41003
   23    22 S   O    _O2_    23     1.23017   122.26071  -144.77878
   24    20 S   CT   _CB2    32     1.53626   111.18529   106.86246
   25    24 S   HC   HB21    33     1.09333   108.73549    57.40182
   26    24 S   HC   HB22    34     1.09259   110.18969   175.44930
   27    22 S   N    _N3_    24     1.38478   113.36078    42.43425
   28    27 S   H    _HN3    25     1.01528   118.99503    -0.29674
   29    24 S   S    _SG2    35     1.82951   111.53111   -63.05801
   30    27 S   CT   _CA3    26     1.45367   122.98042   175.00241
   31    30 S   HC   HA31    27     1.09559   108.62620    34.76413
   32    30 S   HC   HA32    28     1.09476   107.24603   151.71853
   33    29 S   CT   _C13    36     1.89006   102.98718  -172.02230
   34    30 S   CO3  _C3_    29     1.52999   113.64846   -88.19883
   35    34 S   O2Z  _O31    30     1.26361   115.74093   -35.66333
   36    34 S   O2Z  _O32    31     1.26396   114.72188   145.16826
   37    33 S   CT   _C14    37     1.56088   111.40615   -41.40710
   38    37 S   HC   _H12    38     1.09533   110.66801    64.76255
   39    37 S   HC   _H13    39     1.09412   110.61458  -179.58035
   40    33 S   CT   _C15    72     1.56018   107.75012    77.85070
   41    40 S   HC   _H14    73     1.09619   110.36321   -65.29860
   42    40 S   HC   _H15    74     1.09577   110.94948   179.30620
   43    37 S   S    _S2_    40     1.83385   116.24133   -57.73444
   44    40 S   N5P  _N10    75     1.47775   115.78042    57.30571
   45    43 S   C4T  _C10    41     1.81578    97.42045   -54.40050
   46    45 S   HC   _H4_    42     1.09540   114.01496   -80.10459
   47    44 S   C5B  _C16    76     1.39253   125.29737    85.17467
   48    47 S   HA   _H16    77     1.07240   118.65394     1.78860
   49    45 S   C4T  _C9_    43     1.55614   117.40917   142.97779
   50    49 S   HC   _H3_    44     1.09692   113.56435   134.83007
   51    45 S   N4   _N9_    47     1.45266   109.25980    46.45068
   52    47 S   C5A  _C17    78     1.36488   107.78511  -177.48955
   53    52 S   HA   _H17    79     1.07284   135.09496   178.26946
   54    49 S   C4   _C11    45     1.55487    85.13459  -113.19843
   55    54 S   O    _O35    46     1.20892   136.66167  -178.39868
   56    33 S   CT1  _C12    48     1.56688   105.73847  -161.17349
   57    56 S   HC   _H5_    49     1.09965   108.74051   -45.53021
   58    49 S   N    _N8_    53     1.47835   119.37885     1.04211
   59    58 S   H    _H11    54     1.02160   119.40206  -106.86593
   60    52 S   N56P _N11    80     1.36917   106.35519    -3.52720
   61    56 S   CO3  _C22    50     1.55128   118.92792  -165.39078
   62    61 S   O2Z  _O37    51     1.26045   116.57454   -26.92023
   63    61 S   O2Z  _O36    52     1.26538   114.41890   153.11077
   64    58 S   C    _C8_    55     1.37934   122.73895    77.55837
   65    64 S   O    _O34    56     1.22108   128.23299    -2.17637
   66    44 S   C56P _C18    81     1.35200   126.97110   -99.60330
   67    64 S   CD   _C5_    57     1.50630   113.04273   177.82597
   68    66 S   CAA  _C19    82     1.46925   131.19826    -3.19874
   69    68 S   HA   _H18    83     1.07973   121.38417    -3.66217
   70    67 S   CA5  _C6_    58     1.45361   119.92684    84.46067
   71    67 S   NI   _N4_    66     1.29854   121.48497   -95.80358
   72    68 S   CAB  _C20    84     1.33356   116.70997   177.24033
   73    72 S   HA   _H19    85     1.08096   123.97999   179.83449
   74    70 S   N5B  _N5_    59     1.39418   120.23716     3.75233
   75    71 S   OS   _O33    67     1.40194   111.39336     0.55391
   76    72 S   CAB  _C21    86     1.48346   115.92226     0.60781
   77    76 S   HA   _H20    87     1.10332   113.42760  -179.02642
   78    74 S   CA5  _C7_    60     1.31533   109.40768   179.76845
   79    75 S   CT   _C4_    68     1.41945   108.14183   178.68062
   80    79 S   HC   _H6_    69     1.09315   108.46295  -179.57158
   81    79 S   HC   _H7_    70     1.09441   110.30692    61.44637
   82    79 S   HC   _H8_    71     1.09406   110.45171   -60.52032
   83    60 S   NAA  _N12    88     1.40339   124.87285  -179.54458
   84    78 S   SA   _S1_    61     1.72060   111.30167     0.61326
   85    78 S   NE   _N7_    63     1.34419   126.47613   179.87805
   86    85 S   H    _H9_    64     1.01458   121.52016     1.47034
   87    85 S   H    _H10    65     1.01458   122.28005  -179.60238
   88    70 S   N5B  _N6_    62     1.33806   121.20261  -175.94372
  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  13   5   4   3
  18   2   1   1  14   5   4  14   5   4   8  11  12   6   7   4
  10   6   8   6   3   7   2   4   3   6   3   7   2   1   1   7
   3   6   8   6   3   7   7   4   3   6   4   2   1   5   3   2
   1   1   1   4   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    56    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    51    56    57    61    40    41    42    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    45    54    51    56    57    61    62    63    40    41    42    44    47    66  
   35    36  
   36  
    0  
   38    39    43    45    46    49    51    56    57    61    40    41    42    44  
   39    43    45    56    40  
   43    45    56    40  
   41    42    44    47    48    52    60    66    68    43    51    56    57    61  
   42    44    47    66    56  
   44    47    66    56  
   45    46    49    50    54    51    56    58  
   47    48    52    53    60    66    68    69    72    83    56  
   46    49    50    54    55    51    56    57    61    58    59    64  
   49    50    54    51    56    58  
   48    52    53    60    66    68    83  
   52    53    60    66  
   50    54    55    51    56    58    59    64    65    67  
   54    55    51    58    59    64  
   56    57    61    62    63    58    54    55  
   53    60    66    68    76    83  
   60    66    83  
   55    56    57    61    58    59    64  
   56    58  
   57    61    62    63  
   61    62    63  
   59    64    65    67    70    71  
   64    65    67  
   66    68    69    72    76    77    83  
   62    63  
   63  
    0  
   65    67    70    74    88    71    75  
   67    70    71  
   68    69    72    73    76    83  
   70    74    78    84    88    71    75    79  
   69    72    73    76    77    83  
   72    73    76  
   74    78    84    88    85    71    75  
   75    79    80    81    82    74    88  
   73    76    77    83  
   76    77    83  
   78    84    88    85    86    87  
   79    80    81    82  
   77    83  
   83  
   84    88    85    86    87  
   80    81    82  
   81    82  
   82  
    0  
    0  
   88    85    86    87  
   86    87    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   44   3.2500   0.1700  -0.141100   1.9750   1.7500   0.001000000  -0.511443539
   45   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5500   0.0700   0.032500   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.241500   1.3810   1.2100   0.030040813   0.268726247
   49   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   52   3.5500   0.0700  -0.426400   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.308200   1.3810   1.2100   0.030040813   0.268726247
   54   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   56   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   59   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   60   3.2500   0.1700   0.610400   1.8650   1.6500   0.001000000  -0.511443539
   61   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   64   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   66   3.5500   0.0700   0.238100   2.5000   1.7750   0.001000000  -0.843144165
   67   3.7500   0.1050   0.385300   2.0020   1.7750   0.023028004  -0.852763146
   68   3.5500   0.0700  -0.135300   2.5000   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.219600   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700   0.504400   2.0020   1.7750   0.001000000  -0.843144165
   71   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   72   3.5500   0.0700  -0.256200   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.230000   1.3810   1.2100   0.030040813   0.268726247
   74   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   75   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   76   3.5500   0.0700   0.309500   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.145600   1.3810   1.2100   0.030040813   0.268726247
   78   3.5500   0.0700   0.425300   2.0020   1.7750   0.001000000  -0.843144165
   79   3.5000   0.0660   0.042500   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.2800   0.1700  -0.498900   1.8650   1.6500   0.001000000  -0.511443539
   84   3.5600   0.3950   0.119700   2.0080   1.7800   0.025682759  -1.666211680
   85   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   86   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   87   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   88   3.2500   0.1700  -0.365000   1.8000   1.6000   0.001000000  -0.511443539
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    56   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   222.000  1.810
   43    45   200.000  1.824
   45    46   340.000  1.090
   45    49   268.000  1.529
   45    51   305.000  1.456
   49    50   340.000  1.090
   49    54   250.000  1.540
   49    58   337.000  1.449
   54    55   930.000  1.212
   54    51   440.000  1.369
   51    56   337.000  1.449
   56    57   340.000  1.090
   56    61   317.000  1.522
   61    62   656.000  1.250
   61    63   656.000  1.250
   58    59   434.000  1.010
   58    64   490.000  1.335
   64    65   570.000  1.229
   64    67   270.000  1.486
   67    70   305.000  1.466
   67    71   500.000  1.261
   70    74   525.000  1.333
   70    88   525.000  1.333
   74    78   525.000  1.333
   78    84   255.000  1.769
   78    85   481.000  1.340
   84    88   260.000  1.695
   85    86   434.000  1.010
   85    87   434.000  1.010
   71    75   320.000  1.394
   75    79   320.000  1.410
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   300.000  1.456
   44    47   420.000  1.386
   44    66   515.000  1.335
   47    48   367.000  1.080
   47    52   520.000  1.370
   52    53   367.000  1.080
   52    60   427.000  1.381
   60    66   535.000  1.325
   60    83   400.000  1.349
   66    68   485.000  1.375
   68    69   385.000  1.085
   68    72   500.000  1.367
   72    73   385.000  1.085
   72    76   420.000  1.406
   76    77   385.000  1.085
   76    83   555.000  1.319
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    56    75.00000  108.68000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    75.00000  111.63000
   33    56    51    80.00000  109.70000
   33    56    57    37.50000  110.70000
   33    56    61    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    75.00000  111.19500
   37    43    45    85.00000   99.86700
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    45.00000  109.41400
   43    45    49    65.00000  119.05700
   43    45    51    80.00000  108.62000
   45    49    50    37.50000  110.70000
   45    49    54   100.00000   86.36000
   45    49    58    80.00000  110.05700
   45    51    54   100.00000   93.00000
   45    51    56    50.00000  132.70000
   49    45    46    37.50000  110.70000
   49    54    55    60.00000  136.58000
   49    54    51    95.00000   92.72400
   49    58    59    38.00000  118.40000
   49    58    64    50.00000  121.90000
   54    49    50    40.00000  113.37500
   54    51    56    50.00000  132.10000
   51    45    46    50.00000  112.01000
   51    45    49   105.00000   87.49700
   51    54    55    75.00000  131.60000
   51    56    57    35.00000  109.50000
   51    56    61    63.00000  110.10000
   56    33    37    58.35000  112.70000
   56    61    62    70.00000  117.00000
   56    61    63    70.00000  117.00000
   61    56    57    35.00000  109.50000
   63    61    62    80.00000  126.00000
   58    49    50    50.00000  112.01000
   58    49    54    75.00000  110.24000
   58    64    65    80.00000  122.90000
   58    64    67    75.00000  109.57000
   64    58    59    35.00000  119.80000
   64    67    70    75.00000  114.44000
   64    67    71    65.00000  123.79500
   67    64    65    80.00000  120.45000
   67    70    74    60.00000  126.00000
   67    70    88    60.00000  126.00000
   67    71    75   100.00000  109.52600
   70    74    78    90.00000  108.12000
   70    88    84    95.00000  106.08000
   74    78    84    80.00000  117.16000
   74    78    85    70.00000  120.00000
   78    84    88   120.00000   95.04000
   78    85    86    35.00000  113.50000
   78    85    87    35.00000  113.50000
   88    70    74    85.00000  114.42000
   85    78    84    70.00000  123.00000
   87    85    86    35.00000  109.00000
   71    67    70    65.00000  124.33800
   71    75    79   110.00000  106.71400
   75    79    80    35.00000  109.50000
   75    79    81    35.00000  109.50000
   75    79    82    35.00000  109.50000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    56    58.35000  112.70000
   40    44    47    65.00000  125.09000
   40    44    66    70.00000  114.00000
   42    40    41    33.00000  107.80000
   44    40    41    50.00000  107.70000
   44    40    42    50.00000  107.70000
   44    47    48    45.00000  117.61300
   44    47    52    85.00000  109.61400
   44    66    60    80.00000  116.60800
   44    66    68    65.00000  128.71400
   47    52    53    35.00000  130.70000
   47    52    60    70.00000  106.30000
   52    47    48    35.00000  128.20000
   52    60    66    80.00000  113.80000
   52    60    83    56.00000  113.10000
   60    52    53    35.00000  121.60000
   60    66    68    60.00000  128.22000
   60    83    76   110.00000  103.73000
   66    44    47    85.00000  110.55600
   66    68    69    40.00000  119.43200
   66    68    72    70.00000  116.43900
   68    72    73    40.00000  119.50000
   68    72    76    65.00000  119.42000
   72    68    69    40.00000  122.81700
   72    76    77    40.00000  119.95700
   72    76    83    65.00000  126.21000
   76    72    73    40.00000  119.95700
   83    60    66    75.00000  115.00000
   83    76    77    50.00000  116.56000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    56    51   0.71400  1.0 1.0
   29    33    56    51   0.04300 -1.0 2.0
   29    33    56    51   0.01450  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    61  -2.17200  1.0 1.0
   29    33    56    61  -0.85700 -1.0 2.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    37    43    45  -0.25000 -1.0 2.0
   33    37    43    45  -0.01800  1.0 3.0
   33    56    61    62   0.00000  1.0 1.0
   33    56    61    63   0.00000  1.0 1.0
   33    40    44    47   1.10250  1.0 1.0
   33    40    44    47   0.01650 -1.0 2.0
   33    40    44    47   0.39100  1.0 3.0
   33    40    44    66   1.10250  1.0 1.0
   33    40    44    66   0.01650 -1.0 2.0
   33    40    44    66   0.39100  1.0 3.0
   37    33    56    51   0.42250  1.0 1.0
   37    33    56    51  -0.48100 -1.0 2.0
   37    33    56    51   0.35650  1.0 3.0
   37    33    56    57   0.15000  1.0 3.0
   37    33    56    61  -0.84850  1.0 1.0
   37    33    56    61  -0.22800 -1.0 2.0
   37    33    56    61   0.29250  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    44  -0.64600  1.0 1.0
   37    33    40    44   0.58400 -1.0 2.0
   37    43    45    46   0.00000  1.0 1.0
   37    43    45    49   0.25150  1.0 1.0
   37    43    45    49  -1.17200 -1.0 2.0
   37    43    45    49   0.53050  1.0 3.0
   37    43   -45    51   0.01700  1.0 1.0
   37    43   -45    51  -0.23550 -1.0 2.0
   37    43   -45    51   0.21350  1.0 3.0
   38    37    43    45   0.32350  1.0 3.0
   39    37    43    45   0.32350  1.0 3.0
   43    45    49    50   0.00000  1.0 1.0
   43    45    49    54   0.00000  1.0 1.0
   43    45    49    58   0.00000  1.0 1.0
   43    45   -51    54   0.00000  1.0 1.0
   43    45    51    56   0.00000  1.0 1.0
   45    49    54    55  -0.11250  1.0 1.0
   45    49    54    55   0.11400 -1.0 2.0
   45    49    54    55  -0.28950  1.0 3.0
   45    49   -54    51   3.00000 -1.0 2.0
   45    49    58    59   0.00000  1.0 1.0
   45    49    58    64  -0.43950  1.0 1.0
   45    49    58    64  -0.08100 -1.0 2.0
   45    49    58    64   0.03350  1.0 3.0
   45    51   -56    33   0.00000  1.0 1.0
   45    51    56    57   0.00000  1.0 1.0
   45    51    56    61   0.00000  1.0 1.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    54   0.15000  1.0 3.0
   46    45    49    58   0.15000  1.0 3.0
   46    45   -51    54   0.00000  1.0 1.0
   46    45    51    56   0.00000  1.0 1.0
   49    45   -51    54   0.00000  1.0 1.0
   49    45    51    56   0.00000  1.0 1.0
   49    54   -51    45   3.00000 -1.0 2.0
   49    54   -51    56   3.00000 -1.0 2.0
   49    58    64    65   3.04450 -1.0 2.0
   49    58    64    67   1.49850  1.0 1.0
   49    58    64    67   1.53950 -1.0 2.0
   50    49    54    55   0.00000  1.0 1.0
   50    49    54    51   0.00000  1.0 1.0
   50    49    58    59   0.00000  1.0 1.0
   50    49    58    64   0.00000  1.0 1.0
   54    49    58    59   0.00000  1.0 1.0
   54    49    58    64  -0.42300  1.0 1.0
   54    49    58    64  -0.07000 -1.0 2.0
   54    49    58    64   0.04150  1.0 3.0
   54    51    56    33   0.00000  1.0 1.0
   54    51    56    57   0.00000  1.0 1.0
   54    51    56    61   0.00000  1.0 1.0
   55    54   -51    45   3.00000 -1.0 2.0
   55    54    51    56   3.00000 -1.0 2.0
   51    45   -49    50   0.15000  1.0 3.0
   51    45   -49    54   3.00000 -1.0 2.0
   51    45    49    58   2.20050  1.0 1.0
   51    45    49    58   0.63450 -1.0 2.0
   51    45    49    58  -0.91300  1.0 3.0
   51    56    61    62   0.00000  1.0 1.0
   51    56    61    63   0.00000  1.0 1.0
   56    33    37    38   0.15000  1.0 3.0
   56    33    37    39   0.15000  1.0 3.0
   56    33   -37    43   0.44750  1.0 1.0
   56    33   -37    43  -0.17800 -1.0 2.0
   56    33   -37    43   0.20200  1.0 3.0
   56    33    40    41   0.15000  1.0 3.0
   56    33    40    42   0.15000  1.0 3.0
   56    33    40    44  -0.64600  1.0 1.0
   56    33    40    44   0.58400 -1.0 2.0
   57    56    61    62   0.00000  1.0 1.0
   57    56    61    63   0.00000  1.0 1.0
   58    49    54    55   0.30150 -1.0 2.0
   58    49   -54    51   0.00000  1.0 1.0
   58    64    67    70   1.50000 -1.0 2.0
   58    64    67    71   1.50000 -1.0 2.0
   59    58    64    65   2.45000 -1.0 2.0
   59    58    64    67   2.56700 -1.0 2.0
   64    67    70    74   0.30050 -1.0 2.0
   64    67    70    74   0.16600  1.0 3.0
   64    67    70    88   0.30050 -1.0 2.0
   64    67    70    88   0.16600  1.0 3.0
   64    67    71    75   6.00000 -1.0 2.0
   65    64    67    70   1.00000 -1.0 2.0
   65    64    67    71   1.00000 -1.0 2.0
   67    70    74    78   3.62500 -1.0 2.0
   67    70    88    84   3.62500 -1.0 2.0
   67    71    75    79   1.50000 -1.0 2.0
   70    67    71    75   6.00000 -1.0 2.0
   70    74   -78    84   3.62500 -1.0 2.0
   70    74    78    85   3.62500 -1.0 2.0
   74    70   -88    84   3.62500 -1.0 2.0
   74    78   -84    88   3.62500 -1.0 2.0
   74    78    85    86   1.75000 -1.0 2.0
   74    78    85    87   1.75000 -1.0 2.0
   78    84   -88    70   3.62500 -1.0 2.0
   84    78    85    86   0.47600 -1.0 2.0
   84    78    85    87   0.47600 -1.0 2.0
   88    70   -74    78   3.62500 -1.0 2.0
   85    78    84    88   3.62500 -1.0 2.0
   71    67    70    74   1.02250 -1.0 2.0
   71    67    70    88   1.02250 -1.0 2.0
   71    75    79    80   0.37500  1.0 3.0
   71    75    79    81   0.37500  1.0 3.0
   71    75    79    82   0.37500  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43   0.44750  1.0 1.0
   40    33    37    43  -0.17800 -1.0 2.0
   40    33    37    43   0.20200  1.0 3.0
   40    33    56    51   0.42250  1.0 1.0
   40    33    56    51  -0.48100 -1.0 2.0
   40    33    56    51   0.35650  1.0 3.0
   40    33    56    57   0.15000  1.0 3.0
   40    33    56    61  -0.84850  1.0 1.0
   40    33    56    61  -0.22800 -1.0 2.0
   40    33    56    61   0.29250  1.0 3.0
   40    44    47    48   3.62500 -1.0 2.0
   40    44    47    52   3.62500 -1.0 2.0
   40    44    66    60   3.62500 -1.0 2.0
   40    44    66    68   3.62500 -1.0 2.0
   41    40    44    47   0.00000  1.0 1.0
   41    40    44    66   0.00000  1.0 1.0
   42    40    44    47   0.00000  1.0 1.0
   42    40    44    66   0.00000  1.0 1.0
   44    47    52    53   3.62500 -1.0 2.0
   44    47   -52    60   3.62500 -1.0 2.0
   44    66    68    69   3.62500 -1.0 2.0
   44    66    68    72   3.62500 -1.0 2.0
   47    44   -66    60   3.62500 -1.0 2.0
   47    44    66    68   3.62500 -1.0 2.0
   47    52   -60    66   3.62500 -1.0 2.0
   47    52    60    83   3.62500 -1.0 2.0
   48    47    52    53   3.62500 -1.0 2.0
   48    47    52    60   5.37500 -1.0 2.0
   52    60   -66    44   3.62500 -1.0 2.0
   52    60    66    68   3.62500 -1.0 2.0
   52    60    83    76   3.62500 -1.0 2.0
   53    52    60    66   3.62500 -1.0 2.0
   53    52    60    83   3.62500 -1.0 2.0
   60    66    68    69   3.62500 -1.0 2.0
   60    66    68    72   3.62500 -1.0 2.0
   66    44    47    48   3.62500 -1.0 2.0
   66    44   -47    52   3.62500 -1.0 2.0
   66    60    83    76   3.62500 -1.0 2.0
   66    68    72    73   3.62500 -1.0 2.0
   66    68   -72    76   3.62500 -1.0 2.0
   68    72    76    77   3.62500 -1.0 2.0
   68    72    76    83   3.62500 -1.0 2.0
   69    68    72    73   3.62500 -1.0 2.0
   69    68    72    76   3.62500 -1.0 2.0
   72    76   -83    60   3.62500 -1.0 2.0
   73    72    76    77   3.62500 -1.0 2.0
   73    72    76    83   3.62500 -1.0 2.0
   77    76    83    60   3.62500 -1.0 2.0
   83    60    66    44   3.62500 -1.0 2.0
   83    60   -66    68   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
   35    30    34    36  10.50000 -1.0 2.0
   49    51    54    55  10.50000 -1.0 2.0
   56    54    51    45   1.00000 -1.0 2.0
   62    56    61    63  10.50000 -1.0 2.0
   59    64    58    49   1.00000 -1.0 2.0
   58    67    64    65  10.50000 -1.0 2.0
   64    70    67    71  10.50000 -1.0 2.0
   74    88    70    67   4.00000 -1.0 2.0
   85    84    78    74   4.00000 -1.0 2.0
   87    78    85    86   1.00000 -1.0 2.0
   47    66    44    40   4.00000 -1.0 2.0
   52    48    47    44   1.10000 -1.0 2.0
   60    53    52    47   1.10000 -1.0 2.0
   66    83    60    52   4.00000 -1.0 2.0
   60    68    66    44   4.00000 -1.0 2.0
   72    69    68    66   1.10000 -1.0 2.0
   76    73    72    68   1.10000 -1.0 2.0
   83    77    76    72   1.10000 -1.0 2.0
END
