* LIGAND DATABASE FILE (OPLS2005)
*
001      89    90    165    240     461
    1     0 S   NP   _N1_     1    29.31316    93.77517   -25.91372
    2     1 S   H    _HN1     2     1.02949    79.19153    19.31188
    3     1 S   H    _H1_     3     1.02828    28.23936  -151.41328
    4     1 S   H    _H2_     4     1.02787   122.36229   -85.68792
    5     1 S   CT   _CA1     5     1.50117   118.00503   126.79408
    6     5 S   HC   _HA1     6     1.09574   105.17867    89.28525
    7     5 S   CO3  _C1_     7     1.53772   112.49984   -30.92109
    8     7 S   O2Z  _O11     8     1.26370   115.00134   -41.74264
    9     7 S   O2Z  _O12     9     1.26241   114.94384   137.35869
   10     5 S   CT   _CB1    10     1.53070   107.41868  -152.73994
   11    10 S   HC   HB11    11     1.09839   109.32423   -49.76052
   12    10 S   HC   HB12    12     1.09813   110.46011    66.82699
   13    10 S   CT   _CG1    13     1.53011   112.64278  -170.74454
   14    13 S   HC   HG11    14     1.09576   110.67383   -66.88968
   15    13 S   HC   HG12    15     1.09672   109.75105    52.36608
   16    13 S   C    _CD1    16     1.51796   112.12093   172.80216
   17    16 S   O    _OE1    17     1.22706   123.15888     9.42050
   18    16 S   N    _N2_    18     1.38578   111.72795  -170.72589
   19    18 S   H    _HN2    19     1.01576   118.90875     0.51964
   20    18 S   CT1  _CA2    20     1.46169   123.52074   176.49306
   21    20 S   HC   _HA2    21     1.09738   109.45773    -0.24389
   22    20 S   C    _C2_    22     1.53514   108.49857  -115.48612
   23    22 S   O    _O2_    23     1.23037   122.44897  -146.75010
   24    20 S   CT   _CB2    32     1.53159   111.51373   121.95320
   25    24 S   HC   HB21    33     1.09576   110.56966    51.36732
   26    24 S   HC   HB22    34     1.09089   109.72269   170.31915
   27    22 S   N    _N3_    24     1.38316   113.47959    40.82792
   28    27 S   H    _HN3    25     1.01595   119.50461    -3.51118
   29    24 S   S    _SG2    35     1.82517   111.26643   -69.60813
   30    27 S   CT   _CA3    26     1.45268   123.26748   177.02658
   31    30 S   HC   HA31    27     1.09545   107.92690   -56.27627
   32    30 S   HC   HA32    28     1.09549   107.62605    60.12586
   33    29 S   CT   _C24    36     1.84890    99.86904  -174.16464
   34    33 S   HC   _H3_    37     1.09378   106.08231   -36.26441
   35    30 S   CO3  _C3_    29     1.52954   113.95551  -178.25954
   36    35 S   O2Z  _O31    30     1.26390   116.02789    -0.45885
   37    35 S   O2Z  _O32    31     1.26415   114.45117   179.65395
   38    33 S   CM   _C9_    38     1.53595   107.90892  -154.60386
   39    33 S   C3T  _C15    50     1.51403   108.26762    80.06414
   40    39 S   HC   _H34    51     1.08775   111.75578    46.59561
   41    38 S   CMA  _C10    39     1.36791   122.89845   101.43680
   42    41 S   OM   _O22    40     1.26952   125.54159   177.60069
   43    38 S   CT   _C19    46     1.52046   115.07857   -79.63824
   44    43 S   HC   _H41    47     1.09453   110.32975   -68.34846
   45    43 S   HC   _H42    48     1.09418   113.44691   171.42236
   46    43 S   HC   _H43    49     1.09460   110.81228    51.82613
   47    39 S   C3T  _C14    52     1.51802   120.42025   -98.03455
   48    47 S   HC   _H33    53     1.08685   117.22856    -6.53651
   49    41 S   OS   _O25    41     1.41893   111.89812    -0.75303
   50    39 S   C3T  _C16    54     1.52524   122.59711  -169.63303
   51    47 S   CO4  _C11    63     1.47983   120.09584   135.96619
   52    51 S   O    _O24    64     1.22243   121.96242   134.99781
   53    49 S   CT   _C22    42     1.42752   113.40719  -133.68207
   54    53 S   HC   _H50    43     1.09402   107.75389   170.65164
   55    53 S   HC   _H51    44     1.09548   111.11494    52.45920
   56    53 S   HC   _H52    45     1.09475   111.04167   -71.37018
   57    50 S   CT   _C20    55     1.50859   120.53470     3.42851
   58    57 S   HC   _H44    56     1.09480   110.39418   -81.63671
   59    57 S   HC   _H45    57     1.09531   110.08635   159.11728
   60    57 S   HC   _H46    58     1.09439   112.72319    39.39507
   61    50 S   CT   _C21    59     1.50952   116.74170  -140.60128
   62    61 S   HC   _H47    60     1.09514   110.18980    90.35323
   63    61 S   HC   _H48    61     1.09516   112.46319   -29.52682
   64    61 S   HC   _H49    62     1.09494   110.33186  -150.16954
   65    51 S   OS   _O26    65     1.36072   111.24213   -47.47163
   66    65 S   CT   _C13    66     1.43454   116.59027  -177.99855
   67    66 S   HC   _H32    67     1.09700   110.39796   -45.23741
   68    66 S   CM   _C5_    68     1.50602   108.36102  -166.29173
   69    68 S   CM   _C4_    69     1.34079   114.67627  -117.30085
   70    68 S   CT   _C17    86     1.49361   118.51449    62.84118
   71    70 S   HC   _H35    87     1.09477   110.39826   -61.17948
   72    70 S   HC   _H36    88     1.09279   112.63601   178.69824
   73    70 S   HC   _H37    89     1.09466   110.16282    58.50972
   74    69 S   CO4  _C6_    70     1.47700   105.53753    -0.30519
   75    74 S   O    _O23    71     1.22264   123.63308  -179.79633
   76    69 S   CT   _C23    75     1.48970   131.73491  -177.84951
   77    76 S   HC   _H53    76     1.09745   109.20664   136.00959
   78    76 S   HC   _H54    77     1.09317   110.46299    21.37940
   79    66 S   CT   _C12    72     1.52600   110.98996    79.16521
   80    79 S   HC   _H30    73     1.09346   113.24508    -3.54094
   81    79 S   HC   _H31    74     1.09427   111.04005  -128.68723
   82    76 S   CM   _C8_    78     1.50067   112.10023  -104.05760
   83    82 S   HC   _H29    79     1.08931   115.23537   -67.81575
   84    82 S   CM   _C7_    80     1.34167   127.90875   113.11427
   85    84 S   HC   _H28    81     1.08920   117.12998   179.71538
   86    84 S   CT   _C18    82     1.49265   127.86719    -0.67551
   87    86 S   HC   _H38    83     1.09410   109.79123  -119.24332
   88    86 S   HC   _H39    84     1.09141   113.61091     1.50740
   89    86 S   HC   _H40    85     1.09449   109.62458   122.15788
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  17   7   2   1   1  12  17   6  10   3   4   2   1   1  14   6
   4  11   8   2   3   2   1   1   7   3   2   1   3   2   1   1
   9  13   7  14  15   6   2   1   1   8   4   8   4   3   2   1
   1   7   3   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    43    39    40    47    50  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    49    43    44    45    46    39    40    47    48    50    57    61    51  
   38    41    43    39    40    47    50  
   36    37  
   37  
    0  
   41    42    49    53    43    44    45    46    39    40    47    50  
   40    47    48    50    57    58    59    60    61    62    63    64    51    52    65    41    43  
   47    48    50    57    61    51  
   42    49    53    54    55    56    43    44    45    46  
   49    53    43  
   44    45    46    49  
   45    46  
   46  
    0  
   48    50    57    58    59    60    61    62    63    64    51    52    65    66  
   50    57    61    51    52    65  
   53    54    55    56  
   57    58    59    60    61    62    63    64    51    52    65  
   52    65    66    67    68    79    57    61  
   65    66  
   54    55    56  
   55    56  
   56  
    0  
   58    59    60    61    62    63    64  
   59    60    61  
   60    61  
   61  
   62    63    64  
   63    64  
   64  
    0  
   66    67    68    69    74    79    80    81    70  
   67    68    69    74    75    79    80    81    76    70    71    72    73  
   68    69    74    79    80    81    70  
   69    74    75    79    80    81    76    77    78    82    70    71    72    73  
   74    75    79    80    81    76    77    78    82    83    84    70    71    72    73  
   71    72    73    74    76    79  
   72    73  
   73  
    0  
   75    79    80    81    76    77    78    82  
   79    80    81    76  
   77    78    82    83    84    85    86    79  
   78    82    83    84  
   82    83    84  
   80    81  
   81  
    0  
   83    84    85    86    87    88    89  
   84    85    86  
   85    86    87    88    89  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   69   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   83   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   85   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   275.000  1.510
   38    41   465.000  1.376
   38    43   317.000  1.510
   41    42   745.000  1.250
   41    49   440.000  1.360
   49    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   39    40   340.000  1.088
   39    47   260.000  1.509
   39    50   260.000  1.509
   47    48   340.000  1.088
   47    50   260.000  1.509
   47    51   290.000  1.496
   50    57   275.000  1.510
   50    61   275.000  1.510
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   51    52   570.000  1.229
   51    65   214.000  1.327
   65    66   320.000  1.410
   66    67   340.000  1.090
   66    68   317.000  1.510
   66    79   268.000  1.529
   68    69   549.000  1.340
   68    70   317.000  1.510
   69    74   320.000  1.462
   69    76   317.000  1.510
   74    75   570.000  1.229
   74    79   317.000  1.522
   79    80   340.000  1.090
   79    81   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    82   317.000  1.510
   82    83   340.000  1.080
   82    84   549.000  1.340
   84    85   340.000  1.080
   84    86   317.000  1.510
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  124.00000
   33    38    43    65.00000  117.92700
   33    39    40    40.00000  115.04500
   33    39    47    60.00000  120.94000
   33    39    50    60.00000  120.94000
   38    33    34    35.00000  109.50000
   38    41    42    65.00000  137.10300
   38    41    49    80.00000  120.01400
   38    43    44    35.00000  109.50000
   38    43    45    35.00000  109.50000
   38    43    46    35.00000  109.50000
   41    49    53    90.00000  111.18400
   49    41    42    65.00000  121.00000
   49    53    54    35.00000  109.50000
   49    53    55    35.00000  109.50000
   49    53    56    35.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   43    38    41    70.00000  124.00000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   39    33    34    45.00000  109.38400
   39    33    38    70.00000  112.02700
   39    47    48    37.50000  117.20000
   39    47    50    10.00000   60.00500
   39    47    51    65.00000  117.18000
   39    50    47    10.00000   60.00500
   39    50    57    60.00000  120.94000
   39    50    61    60.00000  120.94000
   47    39    40    37.50000  117.20000
   47    50    57    60.00000  120.94000
   47    50    61    60.00000  120.94000
   47    51    52    75.00000  121.36600
   47    51    65    81.00000  111.40000
   50    39    40    37.50000  117.20000
   50    39    47    10.00000   60.00500
   50    47    48    37.50000  117.20000
   50    57    58    45.00000  109.38400
   50    57    59    45.00000  109.38400
   50    57    60    45.00000  109.38400
   50    61    62    45.00000  109.38400
   50    61    63    45.00000  109.38400
   50    61    64    45.00000  109.38400
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   61    50    57    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   51    47    48    40.00000  116.18000
   51    47    50    65.00000  117.18000
   51    65    66    83.00000  116.90000
   65    51    52    83.00000  123.40000
   65    66    67    35.00000  109.50000
   65    66    68    85.00000  110.90400
   65    66    79    50.00000  109.50000
   66    68    69    70.00000  124.00000
   66    68    70    65.00000  117.92700
   66    79    74    63.00000  111.10000
   66    79    80    37.50000  110.70000
   66    79    81    37.50000  110.70000
   68    66    67    35.00000  109.50000
   68    69    74    65.00000  118.96000
   68    69    76    70.00000  124.00000
   68    70    71    35.00000  109.50000
   68    70    72    35.00000  109.50000
   68    70    73    35.00000  109.50000
   69    74    75    80.00000  123.72100
   69    74    79    65.00000  118.62400
   69    76    77    35.00000  109.50000
   69    76    78    35.00000  109.50000
   69    76    82    70.00000  110.12100
   74    79    80    35.00000  109.50000
   74    79    81    35.00000  109.50000
   79    66    67    37.50000  110.70000
   79    66    68    70.00000  112.02700
   79    74    75    80.00000  120.40000
   81    79    80    33.00000  107.80000
   76    69    74    65.00000  116.34900
   76    82    83    35.00000  117.00000
   76    82    84    70.00000  124.00000
   78    76    77    33.00000  107.80000
   82    76    77    35.00000  109.50000
   82    76    78    35.00000  109.50000
   82    84    85    35.00000  120.00000
   82    84    86    70.00000  124.00000
   84    82    83    35.00000  120.00000
   84    86    87    35.00000  109.50000
   84    86    88    35.00000  109.50000
   84    86    89    35.00000  109.50000
   86    84    85    35.00000  117.00000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   70    68    69    70.00000  124.00000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    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    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    43   0.30250  1.0 1.0
   29    33    38    43  -0.14950 -1.0 2.0
   29    33    38    43   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    47   0.44750  1.0 1.0
   29    33    39    47  -0.17800 -1.0 2.0
   29    33    39    47   0.20200  1.0 3.0
   29    33    39    50   0.44750  1.0 1.0
   29    33    39    50  -0.17800 -1.0 2.0
   29    33    39    50   0.20200  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    49   7.00000 -1.0 2.0
   33    38    43    44   0.34800  1.0 3.0
   33    38    43    45   0.34800  1.0 3.0
   33    38    43    46   0.34800  1.0 3.0
   33    39    47    48   0.15000  1.0 3.0
   33    39   -47    50   0.07850  1.0 1.0
   33    39   -47    50  -0.03950 -1.0 2.0
   33    39   -47    50   0.67350  1.0 3.0
   33    39    47    51  -0.95700  1.0 1.0
   33    39    47    51  -0.18200 -1.0 2.0
   33    39    47    51   0.29450  1.0 3.0
   33    39   -50    47   0.07850  1.0 1.0
   33    39   -50    47  -0.03950 -1.0 2.0
   33    39   -50    47   0.67350  1.0 3.0
   33    39    50    57   0.56750  1.0 1.0
   33    39    50    57  -0.07550 -1.0 2.0
   33    39    50    57   0.20000  1.0 3.0
   33    39    50    61   0.56750  1.0 1.0
   33    39    50    61  -0.07550 -1.0 2.0
   33    39    50    61   0.20000  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    43   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    47   0.15000  1.0 3.0
   34    33    39    50   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    47   0.34400  1.0 1.0
   38    33    39    47   0.09450 -1.0 2.0
   38    33    39    47   0.11100  1.0 3.0
   38    33    39    50   0.34400  1.0 1.0
   38    33    39    50   0.09450 -1.0 2.0
   38    33    39    50   0.11100  1.0 3.0
   38    41    49    53  -2.26850  1.0 1.0
   38    41    49    53   3.39050 -1.0 2.0
   41    38    43    44   0.00000  1.0 1.0
   41    38    43    45   0.00000  1.0 1.0
   41    38    43    46   0.00000  1.0 1.0
   41    49    53    54   0.08050  1.0 3.0
   41    49    53    55   0.08050  1.0 3.0
   41    49    53    56   0.08050  1.0 3.0
   42    41    49    53   2.00000 -1.0 2.0
   43    38    41    42   7.00000 -1.0 2.0
   43    38    41    49   7.00000 -1.0 2.0
   39    33    38    41   0.09850  1.0 1.0
   39    33    38    41   0.15250 -1.0 2.0
   39    33    38    41  -0.50650  1.0 3.0
   39    33    38    43   0.46850  1.0 1.0
   39    33    38    43   0.08550 -1.0 2.0
   39    33    38    43   0.09800  1.0 3.0
   39    47   -50    57   0.07850  1.0 1.0
   39    47   -50    57  -0.03950 -1.0 2.0
   39    47   -50    57   0.67350  1.0 3.0
   39    47   -50    61   0.07850  1.0 1.0
   39    47   -50    61  -0.03950 -1.0 2.0
   39    47   -50    61   0.67350  1.0 3.0
   39    47    51    52   0.30150 -1.0 2.0
   39    47    51    65   0.36750  1.0 3.0
   39    50    57    58   0.15000  1.0 3.0
   39    50    57    59   0.15000  1.0 3.0
   39    50    57    60   0.15000  1.0 3.0
   39    50    61    62   0.15000  1.0 3.0
   39    50    61    63   0.15000  1.0 3.0
   39    50    61    64   0.15000  1.0 3.0
   40    39    47    48   0.15000  1.0 3.0
   40    39   -47    50   0.15000  1.0 3.0
   40    39    47    51   0.15000  1.0 3.0
   40    39   -50    47   0.15000  1.0 3.0
   40    39    50    57   0.15000  1.0 3.0
   40    39    50    61   0.15000  1.0 3.0
   47    39   -50    57   0.07850  1.0 1.0
   47    39   -50    57  -0.03950 -1.0 2.0
   47    39   -50    57   0.67350  1.0 3.0
   47    39   -50    61   0.07850  1.0 1.0
   47    39   -50    61  -0.03950 -1.0 2.0
   47    39   -50    61   0.67350  1.0 3.0
   47    50    57    58   0.15000  1.0 3.0
   47    50    57    59   0.15000  1.0 3.0
   47    50    57    60   0.15000  1.0 3.0
   47    50    61    62   0.15000  1.0 3.0
   47    50    61    63   0.15000  1.0 3.0
   47    50    61    64   0.15000  1.0 3.0
   47    51    65    66   1.63150  1.0 1.0
   47    51    65    66   2.92000 -1.0 2.0
   48    47   -50    39   0.15000  1.0 3.0
   48    47    50    57   0.15000  1.0 3.0
   48    47    50    61   0.15000  1.0 3.0
   48    47    51    52   0.50000  1.0 3.0
   48    47    51    65   0.00000  1.0 1.0
   50    39   -47    48   0.15000  1.0 3.0
   50    39   -47    51  -0.95700  1.0 1.0
   50    39   -47    51  -0.18200 -1.0 2.0
   50    39   -47    51   0.29450  1.0 3.0
   50    47    51    52   0.30150 -1.0 2.0
   50    47    51    65   0.36750  1.0 3.0
   57    50    61    62   0.15000  1.0 3.0
   57    50    61    63   0.15000  1.0 3.0
   57    50    61    64   0.15000  1.0 3.0
   61    50    57    58   0.15000  1.0 3.0
   61    50    57    59   0.15000  1.0 3.0
   61    50    57    60   0.15000  1.0 3.0
   51    47   -50    39  -0.95700  1.0 1.0
   51    47   -50    39  -0.18200 -1.0 2.0
   51    47   -50    39   0.29450  1.0 3.0
   51    47    50    57  -0.95700  1.0 1.0
   51    47    50    57  -0.18200 -1.0 2.0
   51    47    50    57   0.29450  1.0 3.0
   51    47    50    61  -0.95700  1.0 1.0
   51    47    50    61  -0.18200 -1.0 2.0
   51    47    50    61   0.29450  1.0 3.0
   51    65    66    67   0.08050  1.0 3.0
   51    65    66    68  -0.82050  1.0 1.0
   51    65    66    68   0.00600 -1.0 2.0
   51    65    66    68   0.04400  1.0 3.0
   51    65    66    79  -0.25900  1.0 1.0
   51    65    66    79  -0.47000 -1.0 2.0
   51    65    66    79   0.11750  1.0 3.0
   52    51    65    66   3.00000 -1.0 2.0
   65    66    68    69   0.39000  1.0 1.0
   65    66    68    69  -0.05800 -1.0 2.0
   65    66    68    69  -0.55150  1.0 3.0
   65    66    68    70   0.09700  1.0 1.0
   65    66    68    70   0.15600 -1.0 2.0
   65    66    68    70  -0.50800  1.0 3.0
   65    66    79    74  -0.09450  1.0 1.0
   65    66    79    74  -1.12950 -1.0 2.0
   65    66    79    74   0.54000  1.0 3.0
   65    66    79    80   0.23400  1.0 3.0
   65    66    79    81   0.23400  1.0 3.0
   66    68   -69    74   7.00000 -1.0 2.0
   66    68    69    76   7.00000 -1.0 2.0
   66    68    70    71   0.34800  1.0 3.0
   66    68    70    72   0.34800  1.0 3.0
   66    68    70    73   0.34800  1.0 3.0
   67    66    68    69   0.00000  1.0 1.0
   67    66    68    70   0.34800  1.0 3.0
   67    66    79    74  -0.11250  1.0 3.0
   67    66    79    80   0.15000  1.0 3.0
   67    66    79    81   0.15000  1.0 3.0
   68    66   -79    74  -0.98800  1.0 1.0
   68    66   -79    74   0.48800 -1.0 2.0
   68    66   -79    74   0.76800  1.0 3.0
   68    66    79    80   0.15000  1.0 3.0
   68    66    79    81   0.15000  1.0 3.0
   68    69    74    75   1.00000 -1.0 2.0
   68    69   -74    79  -0.33500  1.0 1.0
   68    69   -74    79   1.06600 -1.0 2.0
   68    69   -74    79  -0.14000  1.0 3.0
   68    69    76    77   0.00000  1.0 1.0
   68    69    76    78   0.00000  1.0 1.0
   68    69    76    82  -0.28300  1.0 1.0
   68    69    76    82   0.26700 -1.0 2.0
   68    69    76    82  -0.63300  1.0 3.0
   69    68    70    71   0.00000  1.0 1.0
   69    68    70    72   0.00000  1.0 1.0
   69    68    70    73   0.00000  1.0 1.0
   69    74   -79    66   0.65300  1.0 1.0
   69    74   -79    66  -0.03850 -1.0 2.0
   69    74   -79    66   0.33900  1.0 3.0
   69    74    79    80   0.00000  1.0 1.0
   69    74    79    81   0.00000  1.0 1.0
   69    76    82    83   0.00000  1.0 1.0
   69    76    82    84  -0.28300  1.0 1.0
   69    76    82    84   0.26700 -1.0 2.0
   69    76    82    84  -0.63300  1.0 3.0
   74    69    76    77   0.15000  1.0 3.0
   74    69    76    78   0.15000  1.0 3.0
   74    69    76    82   0.09700  1.0 1.0
   74    69    76    82   0.15600 -1.0 2.0
   74    69    76    82  -0.50800  1.0 3.0
   75    74    79    66   0.30150 -1.0 2.0
   75    74    79    80   0.00000  1.0 1.0
   75    74    79    81   0.00000  1.0 1.0
   79    66   -68    69   0.09850  1.0 1.0
   79    66   -68    69   0.15250 -1.0 2.0
   79    66   -68    69  -0.50650  1.0 3.0
   79    66    68    70   0.46850  1.0 1.0
   79    66    68    70   0.08550 -1.0 2.0
   79    66    68    70   0.09800  1.0 3.0
   76    69    74    75  -0.64400  1.0 1.0
   76    69    74    75   0.26850 -1.0 2.0
   76    69    74    79   0.25700  1.0 1.0
   76    69    74    79   0.66200 -1.0 2.0
   76    69    74    79   0.04450  1.0 3.0
   76    82    84    85   7.00000 -1.0 2.0
   76    82    84    86   7.00000 -1.0 2.0
   77    76    82    83   0.33100  1.0 3.0
   77    76    82    84   0.00000  1.0 1.0
   78    76    82    83   0.33100  1.0 3.0
   78    76    82    84   0.00000  1.0 1.0
   82    84    86    87   0.00000  1.0 1.0
   82    84    86    88   0.00000  1.0 1.0
   82    84    86    89   0.00000  1.0 1.0
   83    82    84    85   7.00000 -1.0 2.0
   83    82    84    86   7.00000 -1.0 2.0
   85    84    86    87   0.33100  1.0 3.0
   85    84    86    88   0.33100  1.0 3.0
   85    84    86    89   0.33100  1.0 3.0
   70    68    69    74   7.00000 -1.0 2.0
   70    68    69    76   7.00000 -1.0 2.0
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
   33    43    38    41  15.00000 -1.0 2.0
   42    49    41    38  15.00000 -1.0 2.0
   47    65    51    52  10.50000 -1.0 2.0
   66    70    68    69   1.10000 -1.0 2.0
   74    76    69    68   1.10000 -1.0 2.0
   69    79    74    75  10.50000 -1.0 2.0
   76    83    82    84  15.00000 -1.0 2.0
   86    85    84    82  15.00000 -1.0 2.0
END
