* LIGAND DATABASE FILE (OPLS2005)
*
001      91    92    168    254     479
    1     0 S   NP   _N1_     1    29.65586    98.08569   -17.33765
    2     1 S   H    _HN1     2     1.02964    91.58648    40.18411
    3     1 S   H    _H1_     3     1.02843    60.05059   149.07031
    4     1 S   H    _H2_     4     1.02783    58.27707   -70.39773
    5     1 S   CT   _CA1     5     1.50098   157.93484  -140.32720
    6     5 S   HC   _HA1     6     1.09578   105.29242    -1.58029
    7     5 S   CO3  _C1_     7     1.53859   112.12852  -121.79747
    8     7 S   O2Z  _O11     8     1.26345   115.05695   -50.53891
    9     7 S   O2Z  _O12     9     1.26225   114.86748   128.54791
   10     5 S   CT   _CB1    10     1.53089   107.40387   116.19566
   11    10 S   HC   HB11    11     1.09820   109.49333   -51.41837
   12    10 S   HC   HB12    12     1.09813   110.35403    65.07757
   13    10 S   CT   _CG1    13     1.53002   112.58760  -172.52546
   14    13 S   HC   HG11    14     1.09596   110.35612   -58.38988
   15    13 S   HC   HG12    15     1.09621   110.16812    60.70822
   16    13 S   C    _CD1    16     1.51840   112.10012  -179.03653
   17    16 S   O    _OE1    17     1.22714   123.20733   -12.91602
   18    16 S   N    _N2_    18     1.38527   111.66788   167.53905
   19    18 S   H    _HN2    19     1.01614   118.92893     1.48727
   20    18 S   CT1  _CA2    20     1.46227   123.60120  -178.09351
   21    20 S   HC   _HA2    21     1.09726   109.44187   -15.55837
   22    20 S   C    _C2_    22     1.53428   108.04062  -131.22033
   23    22 S   O    _O2_    23     1.23001   122.32059  -144.94972
   24    20 S   CT   _CB2    32     1.53520   111.18041   106.81100
   25    24 S   HC   HB21    33     1.09352   109.38137    53.25554
   26    24 S   HC   HB22    34     1.09513   110.58469   171.10161
   27    22 S   N    _N3_    24     1.38530   113.29821    42.36601
   28    27 S   H    _HN3    25     1.01530   118.93084    -0.49416
   29    24 S   S    _SG2    35     1.83185   111.74799   -70.55989
   30    27 S   CT   _CA3    26     1.45449   123.41097   175.14643
   31    30 S   HC   HA31    27     1.09526   109.19440    25.12402
   32    30 S   HC   HA32    28     1.09494   107.12762   142.12789
   33    29 S   CT   _C19    36     1.86490   102.30831   133.63852
   34    30 S   CO3  _C3_    29     1.52931   113.16341   -98.31989
   35    34 S   O2Z  _O31    30     1.26400   115.43297   -43.55567
   36    34 S   O2Z  _O32    31     1.26360   114.96188   137.38715
   37    33 S   CT   _C14    37     1.56304   111.78616   178.94575
   38    37 S   HC   _H37    38     1.09981   108.74020  -166.44093
   39    33 S   CT   _C23    88     1.53596   109.53478    57.15306
   40    39 S   HC   _H50    89     1.09406   112.31202   -68.82948
   41    39 S   HC   _H51    90     1.09633   111.33022   171.94075
   42    39 S   HC   _H52    91     1.09581   111.65670    52.84124
   43    37 S   CO4  _C4_    39     1.52219   101.43557    82.54415
   44    43 S   O    _O23    40     1.22490   124.67923  -162.96938
   45    37 S   CT   _C25    76     1.53259   116.79651   -41.73100
   46    45 S   HC   _H56    77     1.09725   110.93503    78.05058
   47    45 S   HC   _H57    78     1.09459   110.38907   -39.43185
   48    43 S   CT   _C13    41     1.50839   112.32924    17.79937
   49    48 S   HC   _H35    42     1.09205   109.94566   127.58969
   50    48 S   HC   _H36    43     1.09217   108.18149  -111.10112
   51    45 S   CM   _C9_    79     1.50689   111.94269  -162.33720
   52    51 S   HC   _H34    80     1.08928   115.23209   -81.23624
   53    33 S   CT   _C17    44     1.55117   109.89351   -68.41790
   54    53 S   HC   _H40    45     1.09421   112.90424    44.55479
   55    51 S   CM   _C7_    81     1.34240   127.76336    99.55788
   56    55 S   HC   _H32    82     1.08890   117.28758   179.10387
   57    53 S   OS   _O27    46     1.44583   109.37266   165.64785
   58    55 S   CM   _C6_    83     1.44438   126.45025    -1.92183
   59    58 S   HC   _H31    84     1.08530   118.75584    -1.21708
   60    57 S   CO4  _C12    47     1.36054   116.97662  -161.75629
   61    60 S   O    _O25    48     1.22217   126.84684     2.43558
   62    58 S   CM   _C5_    85     1.33819   123.04667   179.29975
   63    62 S   HC   _H29    86     1.08507   120.28846   179.75292
   64    62 S   HC   _H30    87     1.08501   122.12477    -0.28116
   65    60 S   C3T  _C16    49     1.47923   110.93965  -178.91863
   66    65 S   HC   _H39    50     1.08694   112.61215   -81.50204
   67    65 S   C3T  _C15    51     1.51526   119.58438   135.51276
   68    67 S   HC   _H38    52     1.08717   116.50690    -3.30606
   69    65 S   C3T  _C18    53     1.52066   121.38581    64.53956
   70    67 S   CM   _C8_    62     1.47204   119.01622   137.52093
   71    70 S   HC   _H33    63     1.08886   114.39817   -28.67658
   72    69 S   CT   _C21    54     1.51000   116.71026  -139.88373
   73    72 S   HC   _H44    55     1.09530   110.09719    90.13603
   74    72 S   HC   _H45    56     1.09502   112.63108   -29.64400
   75    72 S   HC   _H46    57     1.09497   110.36138  -150.51693
   76    69 S   CT   _C22    58     1.51013   120.20755     3.42543
   77    76 S   HC   _H47    59     1.09500   110.41081   -81.11063
   78    76 S   HC   _H48    60     1.09518   110.15112   159.43466
   79    76 S   HC   _H49    61     1.09488   112.44346    39.66567
   80    70 S   CM   _C10    64     1.34759   126.82396   152.16521
   81    80 S   CO4  _C11    65     1.49381   116.83225   179.90109
   82    81 S   O    _O24    66     1.22286   124.65240    -0.52638
   83    80 S   CT   _C20    72     1.50067   124.06944    -0.16551
   84    83 S   HC   _H41    73     1.09513   110.46906   121.07527
   85    83 S   HC   _H42    74     1.09509   110.41435  -118.64257
   86    83 S   HC   _H43    75     1.09398   112.77312     1.30581
   87    81 S   OS   _O26    67     1.36060   109.72071   179.37474
   88    87 S   CT   _C24    68     1.43097   115.40223  -179.93439
   89    88 S   HC   _H53    69     1.09328   108.09129  -179.98022
   90    88 S   HC   _H54    70     1.09423   110.28791    61.33076
   91    88 S   HC   _H55    71     1.09424   110.28994   -61.29899
  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
  19   2   1   1  19   9   9   3   2   1  11   5   9   4   3   6
   4   3   6   3   5   2   6   3   6   4   3   9   4   2   1   1
  15   6  15   6  11  11   3   7   3   2   1   3   2   1   1   8
  10   3   4   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    48    53    54    57    45    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    48    49    50    53    54    57    60    45    46    47    51    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    48    49    50    53    54    57    45    46    47    51    52    55    39    40    41    42  
   43    44    48    53    45    46    47    51    39  
   40    41    42    43    45    48    53    54    57  
   41    42    53  
   42    53  
   53  
   44    48    49    50    53    54    57    45    46    47    51  
   48    49    50    53    45  
   46    47    51    52    55    56    58    48    53  
   47    51    52    55  
   51    52    55  
   49    50    53    54    57    60  
   50    53    54    57  
   53    54    57  
   52    55    56    58    59    62  
   55    56    58  
   54    57    60    61    65  
   57    60  
   56    58    59    62    63    64  
   58    59    62  
   60    61    65    66    67    69  
   59    62    63    64  
   62    63    64  
   61    65    66    67    68    69    72    76    70  
   65    66    67    69  
   63    64  
   64  
    0  
   66    67    68    69    72    73    74    75    76    77    78    79    70    71    80  
   67    68    69    72    76    70  
   68    69    72    73    74    75    76    77    78    79    70    71    80    81    83  
   69    72    76    70    71    80  
   72    73    74    75    76    77    78    79    70    71    80  
   71    80    81    82    87    83    84    85    86    72    76  
   80    81    83  
   73    74    75    76    77    78    79  
   74    75    76  
   75    76  
   76  
   77    78    79  
   78    79  
   79  
    0  
   81    82    87    88    83    84    85    86  
   82    87    88    89    90    91    83    84    85    86  
   87    88    83  
   84    85    86    87  
   85    86  
   86  
    0  
   88    89    90    91  
   89    90    91  
   90    91  
   91  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   81   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   88   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   90   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   91   2.4200   0.0150   0.030000   1.3810   1.2100   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    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    53   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   317.000  1.522
   37    45   268.000  1.529
   43    44   570.000  1.229
   43    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    53   268.000  1.529
   53    54   340.000  1.090
   53    57   320.000  1.410
   57    60   214.000  1.327
   60    61   570.000  1.229
   60    65   290.000  1.496
   65    66   340.000  1.088
   65    67   260.000  1.509
   65    69   260.000  1.509
   67    68   340.000  1.088
   67    69   260.000  1.509
   67    70   305.000  1.480
   69    72   275.000  1.510
   69    76   275.000  1.510
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   70    71   340.000  1.080
   70    80   549.000  1.340
   80    81   320.000  1.462
   80    83   317.000  1.510
   81    82   570.000  1.229
   81    87   214.000  1.327
   87    88   320.000  1.410
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    51   317.000  1.510
   51    52   340.000  1.080
   51    55   549.000  1.340
   55    56   340.000  1.080
   55    58   380.000  1.444
   58    59   340.000  1.080
   58    62   549.000  1.340
   62    63   340.000  1.080
   62    64   340.000  1.080
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    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    53    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    37    45    58.35000  112.70000
   33    53    48    58.35000  112.70000
   33    53    54    37.50000  110.70000
   33    53    57    50.00000  109.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    80.00000  120.40000
   37    43    48    70.00000  116.00000
   37    45    46    37.50000  110.70000
   37    45    47    37.50000  110.70000
   37    45    51    70.00000  112.02700
   43    37    38    35.00000  109.50000
   43    48    49    35.00000  109.50000
   43    48    50    35.00000  109.50000
   43    48    53    63.00000  111.10000
   48    43    44    80.00000  120.40000
   48    53    54    37.50000  110.70000
   48    53    57    50.00000  109.50000
   50    48    49    33.00000  107.80000
   53    33    37    58.35000  112.70000
   53    48    49    37.50000  110.70000
   53    48    50    37.50000  110.70000
   53    57    60    83.00000  116.90000
   57    53    54    35.00000  109.50000
   57    60    61    83.00000  123.40000
   57    60    65    81.00000  111.40000
   60    65    66    40.00000  116.18000
   60    65    67    65.00000  117.18000
   60    65    69    65.00000  117.18000
   65    60    61    75.00000  121.36600
   65    67    68    37.50000  117.20000
   65    67    69    10.00000   60.00500
   65    67    70    60.00000  120.58800
   65    69    67    10.00000   60.00500
   65    69    72    60.00000  120.94000
   65    69    76    60.00000  120.94000
   67    65    66    37.50000  117.20000
   67    69    72    60.00000  120.94000
   67    69    76    60.00000  120.94000
   67    70    71    40.00000  117.24000
   67    70    80    55.00000  125.06700
   69    65    66    37.50000  117.20000
   69    65    67    10.00000   60.00500
   69    67    68    37.50000  117.20000
   69    72    73    45.00000  109.38400
   69    72    74    45.00000  109.38400
   69    72    75    45.00000  109.38400
   69    76    77    45.00000  109.38400
   69    76    78    45.00000  109.38400
   69    76    79    45.00000  109.38400
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   76    69    72    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   70    67    68    40.00000  112.45000
   70    67    69    60.00000  120.58800
   70    80    81    65.00000  118.96000
   70    80    83    70.00000  124.00000
   80    70    71    35.00000  120.00000
   80    81    82    80.00000  123.72100
   80    81    87    90.00000  111.29400
   80    83    84    35.00000  109.50000
   80    83    85    35.00000  109.50000
   80    83    86    35.00000  109.50000
   81    87    88    83.00000  116.90000
   87    81    82    83.00000  123.40000
   87    88    89    35.00000  109.50000
   87    88    90    35.00000  109.50000
   87    88    91    35.00000  109.50000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   83    80    81    65.00000  116.34900
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   45    37    38    37.50000  110.70000
   45    37    43    63.00000  111.10000
   45    51    52    35.00000  117.00000
   45    51    55    70.00000  124.00000
   47    45    46    33.00000  107.80000
   51    45    46    35.00000  109.50000
   51    45    47    35.00000  109.50000
   51    55    56    35.00000  120.00000
   51    55    58    70.00000  123.01800
   55    51    52    35.00000  120.00000
   55    58    59    35.00000  120.00000
   55    58    62    70.00000  123.01800
   58    55    56    35.00000  120.00000
   58    62    63    35.00000  120.00000
   58    62    64    35.00000  120.00000
   62    58    59    35.00000  120.00000
   64    62    63    35.00000  117.00000
   39    33    37    58.35000  112.70000
   39    33    53    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  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    37    38   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    37    45   0.44750  1.0 1.0
   29    33    37    45  -0.17800 -1.0 2.0
   29    33    37    45   0.20200  1.0 3.0
   29    33    53    48   0.44750  1.0 1.0
   29    33    53    48  -0.17800 -1.0 2.0
   29    33    53    48   0.20200  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    57   0.56750  1.0 1.0
   29    33    53    57  -0.07550 -1.0 2.0
   29    33    53    57   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   0.30150 -1.0 2.0
   33    37   -43    48   0.60050  1.0 1.0
   33    37   -43    48   0.05600 -1.0 2.0
   33    37   -43    48   0.26150  1.0 3.0
   33    37    45    46   0.15000  1.0 3.0
   33    37    45    47   0.15000  1.0 3.0
   33    37    45    51   0.34400  1.0 1.0
   33    37    45    51   0.09450 -1.0 2.0
   33    37    45    51   0.11100  1.0 3.0
   33    53    57    60  -0.25900  1.0 1.0
   33    53    57    60  -0.47000 -1.0 2.0
   33    53    57    60   0.11750  1.0 3.0
   37    33   -53    48   0.56750  1.0 1.0
   37    33   -53    48  -0.07550 -1.0 2.0
   37    33   -53    48   0.20000  1.0 3.0
   37    33    53    54   0.15000  1.0 3.0
   37    33    53    57   0.62750  1.0 1.0
   37    33    53    57  -0.30950 -1.0 2.0
   37    33    53    57   0.27300  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    48    49   0.00000  1.0 1.0
   37    43    48    50   0.00000  1.0 1.0
   37    43   -48    53   0.60050  1.0 1.0
   37    43   -48    53   0.05600 -1.0 2.0
   37    43   -48    53   0.26150  1.0 3.0
   37    45    51    52   0.00000  1.0 1.0
   37    45    51    55   0.09850  1.0 1.0
   37    45    51    55   0.15250 -1.0 2.0
   37    45    51    55  -0.50650  1.0 3.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    48   0.00000  1.0 1.0
   38    37    45    46   0.15000  1.0 3.0
   38    37    45    47   0.15000  1.0 3.0
   38    37    45    51   0.15000  1.0 3.0
   43    37    45    46  -0.11250  1.0 3.0
   43    37    45    47  -0.11250  1.0 3.0
   43    37    45    51  -0.98800  1.0 1.0
   43    37    45    51   0.48800 -1.0 2.0
   43    37    45    51   0.76800  1.0 3.0
   43    48   -53    33  -0.95700  1.0 1.0
   43    48   -53    33  -0.18200 -1.0 2.0
   43    48   -53    33   0.29450  1.0 3.0
   43    48    53    54  -0.11250  1.0 3.0
   43    48    53    57  -0.09450  1.0 1.0
   43    48    53    57  -1.12950 -1.0 2.0
   43    48    53    57   0.54000  1.0 3.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    50   0.00000  1.0 1.0
   44    43    48    53   0.30150 -1.0 2.0
   48    53    57    60  -0.25900  1.0 1.0
   48    53    57    60  -0.47000 -1.0 2.0
   48    53    57    60   0.11750  1.0 3.0
   49    48    53    33   0.15000  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    57   0.23400  1.0 3.0
   50    48    53    33   0.15000  1.0 3.0
   50    48    53    54   0.15000  1.0 3.0
   50    48    53    57   0.23400  1.0 3.0
   53    33    37    38   0.15000  1.0 3.0
   53    33   -37    43  -0.95700  1.0 1.0
   53    33   -37    43  -0.18200 -1.0 2.0
   53    33   -37    43   0.29450  1.0 3.0
   53    33    37    45   0.56750  1.0 1.0
   53    33    37    45  -0.07550 -1.0 2.0
   53    33    37    45   0.20000  1.0 3.0
   53    33    39    40   0.15000  1.0 3.0
   53    33    39    41   0.15000  1.0 3.0
   53    33    39    42   0.15000  1.0 3.0
   53    57    60    61   3.00000 -1.0 2.0
   53    57    60    65   1.63150  1.0 1.0
   53    57    60    65   2.92000 -1.0 2.0
   54    53    57    60   0.08050  1.0 3.0
   57    60    65    66   0.00000  1.0 1.0
   57    60    65    67   0.36750  1.0 3.0
   57    60    65    69   0.36750  1.0 3.0
   60    65    67    68   0.15000  1.0 3.0
   60    65   -67    69  -0.95700  1.0 1.0
   60    65   -67    69  -0.18200 -1.0 2.0
   60    65   -67    69   0.29450  1.0 3.0
   60    65    67    70  -0.98800  1.0 1.0
   60    65    67    70   0.48800 -1.0 2.0
   60    65    67    70   0.76800  1.0 3.0
   60    65   -69    67  -0.95700  1.0 1.0
   60    65   -69    67  -0.18200 -1.0 2.0
   60    65   -69    67   0.29450  1.0 3.0
   60    65    69    72  -0.95700  1.0 1.0
   60    65    69    72  -0.18200 -1.0 2.0
   60    65    69    72   0.29450  1.0 3.0
   60    65    69    76  -0.95700  1.0 1.0
   60    65    69    76  -0.18200 -1.0 2.0
   60    65    69    76   0.29450  1.0 3.0
   61    60    65    66   0.50000  1.0 3.0
   61    60    65    67   0.30150 -1.0 2.0
   61    60    65    69   0.30150 -1.0 2.0
   65    67   -69    72   0.07850  1.0 1.0
   65    67   -69    72  -0.03950 -1.0 2.0
   65    67   -69    72   0.67350  1.0 3.0
   65    67   -69    76   0.07850  1.0 1.0
   65    67   -69    76  -0.03950 -1.0 2.0
   65    67   -69    76   0.67350  1.0 3.0
   65    67    70    71   0.00000  1.0 1.0
   65    67    70    80   0.09850  1.0 1.0
   65    67    70    80   0.15250 -1.0 2.0
   65    67    70    80  -0.50650  1.0 3.0
   65    69    72    73   0.15000  1.0 3.0
   65    69    72    74   0.15000  1.0 3.0
   65    69    72    75   0.15000  1.0 3.0
   65    69    76    77   0.15000  1.0 3.0
   65    69    76    78   0.15000  1.0 3.0
   65    69    76    79   0.15000  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65   -67    69   0.15000  1.0 3.0
   66    65    67    70   0.15000  1.0 3.0
   66    65   -69    67   0.15000  1.0 3.0
   66    65    69    72   0.15000  1.0 3.0
   66    65    69    76   0.15000  1.0 3.0
   67    65   -69    72   0.07850  1.0 1.0
   67    65   -69    72  -0.03950 -1.0 2.0
   67    65   -69    72   0.67350  1.0 3.0
   67    65   -69    76   0.07850  1.0 1.0
   67    65   -69    76  -0.03950 -1.0 2.0
   67    65   -69    76   0.67350  1.0 3.0
   67    69    72    73   0.15000  1.0 3.0
   67    69    72    74   0.15000  1.0 3.0
   67    69    72    75   0.15000  1.0 3.0
   67    69    76    77   0.15000  1.0 3.0
   67    69    76    78   0.15000  1.0 3.0
   67    69    76    79   0.15000  1.0 3.0
   67    70    80    81   7.00000 -1.0 2.0
   67    70    80    83   7.00000 -1.0 2.0
   68    67   -69    65   0.15000  1.0 3.0
   68    67    69    72   0.15000  1.0 3.0
   68    67    69    76   0.15000  1.0 3.0
   68    67    70    71   0.33100  1.0 3.0
   68    67    70    80   0.00000  1.0 1.0
   69    65   -67    68   0.15000  1.0 3.0
   69    65   -67    70   0.34400  1.0 1.0
   69    65   -67    70   0.09450 -1.0 2.0
   69    65   -67    70   0.11100  1.0 3.0
   69    67    70    71   0.00000  1.0 1.0
   69    67    70    80   0.09850  1.0 1.0
   69    67    70    80   0.15250 -1.0 2.0
   69    67    70    80  -0.50650  1.0 3.0
   72    69    76    77   0.15000  1.0 3.0
   72    69    76    78   0.15000  1.0 3.0
   72    69    76    79   0.15000  1.0 3.0
   76    69    72    73   0.15000  1.0 3.0
   76    69    72    74   0.15000  1.0 3.0
   76    69    72    75   0.15000  1.0 3.0
   70    67   -69    65   0.34400  1.0 1.0
   70    67   -69    65   0.09450 -1.0 2.0
   70    67   -69    65   0.11100  1.0 3.0
   70    67    69    72   0.34400  1.0 1.0
   70    67    69    72   0.09450 -1.0 2.0
   70    67    69    72   0.11100  1.0 3.0
   70    67    69    76   0.34400  1.0 1.0
   70    67    69    76   0.09450 -1.0 2.0
   70    67    69    76   0.11100  1.0 3.0
   70    80    81    82   1.00000 -1.0 2.0
   70    80    81    87  -0.56150  1.0 1.0
   70    80    81    87   2.19150 -1.0 2.0
   70    80    83    84   0.00000  1.0 1.0
   70    80    83    85   0.00000  1.0 1.0
   70    80    83    86   0.00000  1.0 1.0
   71    70    80    81   7.00000 -1.0 2.0
   71    70    80    83   7.00000 -1.0 2.0
   80    81    87    88   2.00000 -1.0 2.0
   81    80    83    84   0.15000  1.0 3.0
   81    80    83    85   0.15000  1.0 3.0
   81    80    83    86   0.15000  1.0 3.0
   81    87    88    89   0.08050  1.0 3.0
   81    87    88    90   0.08050  1.0 3.0
   81    87    88    91   0.08050  1.0 3.0
   82    81    87    88   3.00000 -1.0 2.0
   83    80    81    82  -0.64400  1.0 1.0
   83    80    81    82   0.26850 -1.0 2.0
   83    80    81    87  -0.15000  1.0 1.0
   83    80    81    87   0.89550 -1.0 2.0
   83    80    81    87  -0.06900  1.0 3.0
   45    37    43    44   0.30150 -1.0 2.0
   45    37    43    48   0.60050  1.0 1.0
   45    37    43    48   0.05600 -1.0 2.0
   45    37    43    48   0.26150  1.0 3.0
   45    51    55    56   7.00000 -1.0 2.0
   45    51    55    58   7.00000 -1.0 2.0
   46    45    51    52   0.33100  1.0 3.0
   46    45    51    55   0.00000  1.0 1.0
   47    45    51    52   0.33100  1.0 3.0
   47    45    51    55   0.00000  1.0 1.0
   51    55    58    59  -0.18600  1.0 3.0
   51    55    58    62   0.28850  1.0 1.0
   51    55    58    62   2.61350 -1.0 2.0
   51    55    58    62   0.78400  1.0 3.0
   52    51    55    56   7.00000 -1.0 2.0
   52    51    55    58   7.00000 -1.0 2.0
   55    58    62    63   7.00000 -1.0 2.0
   55    58    62    64   7.00000 -1.0 2.0
   56    55    58    59   0.00000  1.0 1.0
   56    55    58    62  -0.18600  1.0 3.0
   59    58    62    63   7.00000 -1.0 2.0
   59    58    62    64   7.00000 -1.0 2.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43  -0.95700  1.0 1.0
   39    33    37    43  -0.18200 -1.0 2.0
   39    33    37    43   0.29450  1.0 3.0
   39    33    37    45   0.56750  1.0 1.0
   39    33    37    45  -0.07550 -1.0 2.0
   39    33    37    45   0.20000  1.0 3.0
   39    33    53    48   0.56750  1.0 1.0
   39    33    53    48  -0.07550 -1.0 2.0
   39    33    53    48   0.20000  1.0 3.0
   39    33    53    54   0.15000  1.0 3.0
   39    33    53    57   0.62750  1.0 1.0
   39    33    53    57  -0.30950 -1.0 2.0
   39    33    53    57   0.27300  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   37    48    43    44  10.50000 -1.0 2.0
   57    65    60    61  10.50000 -1.0 2.0
   67    71    70    80  15.00000 -1.0 2.0
   81    83    80    70  15.00000 -1.0 2.0
   80    87    81    82  10.50000 -1.0 2.0
   45    52    51    55  15.00000 -1.0 2.0
   58    56    55    51  15.00000 -1.0 2.0
   55    59    58    62  15.00000 -1.0 2.0
   63    64    62    58  15.00000 -1.0 2.0
END
