* LIGAND DATABASE FILE (OPLS2005)
*
001      89    90    158    222     444
    1     0 S   NP   _N1_     1    29.23632    91.41837   -24.55074
    2     1 S   H    _HN1     2     1.02831     8.99117  -117.69145
    3     1 S   H    _H1_     3     1.02772   115.94661   -89.64572
    4     1 S   H    _H2_     4     1.02967    99.77625    26.41359
    5     1 S   CT   _CA1     5     1.50150   109.39267   142.15657
    6     5 S   HC   _HA1     6     1.09583   105.18175    68.50850
    7     5 S   CO3  _C1_     7     1.53769   112.43199   -51.52930
    8     7 S   O2Z  _O11     8     1.26356   114.97313   -41.68715
    9     7 S   O2Z  _O12     9     1.26246   114.91371   137.32978
   10     5 S   CT   _CB1    10     1.53089   107.39225  -173.68590
   11    10 S   HC   HB11    11     1.09822   109.16362   -51.36434
   12    10 S   HC   HB12    12     1.09818   110.46049    65.13971
   13    10 S   CT   _CG1    13     1.52997   112.74389  -172.54939
   14    13 S   HC   HG11    14     1.09587   110.35403   -66.10624
   15    13 S   HC   HG12    15     1.09660   110.00841    53.06095
   16    13 S   C    _CD1    16     1.51845   112.39966   173.23285
   17    16 S   O    _OE1    17     1.22723   123.27857    -3.51619
   18    16 S   N    _N2_    18     1.38583   111.59830   177.13037
   19    18 S   H    _HN2    19     1.01583   119.02381    -0.09065
   20    18 S   CT1  _CA2    20     1.46156   123.50014   179.28701
   21    20 S   HC   _HA2    21     1.09741   109.40835    -8.95708
   22    20 S   C    _C2_    22     1.53515   108.63696  -124.47950
   23    22 S   O    _O2_    23     1.23057   122.27578  -147.24836
   24    20 S   CT   _CB2    32     1.53287   111.38567   113.25861
   25    24 S   HC   HB21    33     1.09519   109.60329    52.41512
   26    24 S   HC   HB22    34     1.09177   109.89672   171.40440
   27    22 S   N    _N3_    24     1.38514   113.48046    40.45072
   28    27 S   H    _HN3    25     1.01506   118.95634    -0.67551
   29    24 S   S    _SG2    35     1.82608   111.68535   -69.16241
   30    27 S   CT   _CA3    26     1.45420   123.21541   174.87776
   31    30 S   HC   HA31    27     1.09540   108.98598    29.62286
   32    30 S   HC   HA32    28     1.09489   107.20433   146.58619
   33    29 S   CT   _C19    36     1.89130   101.19376   177.64441
   34    30 S   CO3  _C3_    29     1.52934   113.20273   -93.66467
   35    34 S   O2Z  _O31    30     1.26395   115.43411   -44.52943
   36    34 S   O2Z  _O32    31     1.26362   114.96687   136.38403
   37    33 S   CM   _C20    37     1.53649   105.86622  -122.47411
   38    37 S   HC   _H22    38     1.09055   114.50762  -117.66039
   39    33 S   CT   _C5_    46     1.59073   107.53180   117.55667
   40    39 S   HC   _H3_    47     1.09950   107.39493   174.01824
   41    33 S   OS   _O36    85     1.43911   110.17965    -3.12813
   42    37 S   CMA  _C21    39     1.35937   129.63349    65.10798
   43    42 S   OM   _O34    40     1.26864   123.54036   178.35670
   44    39 S   CT   _C4_    48     1.55265   113.39328    58.58501
   45    44 S   HC   _H5_    49     1.09488   111.72195   -76.74240
   46    44 S   HC   _H6_    50     1.09587   110.51654   164.01935
   47    44 S   HC   _H7_    51     1.09238   112.96409    45.25504
   48    39 S   CT   _C6_    52     1.57196   115.69905   -67.28293
   49    48 S   HC   _H4_    53     1.09703   108.67185    61.36751
   50    41 S   CT   _C23    86     1.42262   117.35395  -167.82754
   51    50 S   HC   _H26    87     1.09399   107.74110  -167.18006
   52    50 S   HC   _H27    88     1.09281   110.98965    75.49535
   53    50 S   HC   _H28    89     1.09208   112.38313   -48.14177
   54    42 S   OS   _O35    41     1.41498   112.22887     0.25256
   55    48 S   CM   _C7_    54     1.50616   114.11797   -63.09189
   56    55 S   HC   _H8_    55     1.08771   116.17790   -56.67296
   57    48 S   OS   _O33    80     1.44153   107.61425   179.14339
   58    54 S   CT   _C22    42     1.42710   114.19391  -144.03124
   59    58 S   HC   _H23    43     1.09408   107.75191   171.57694
   60    58 S   HC   _H24    44     1.09541   111.12727    53.46055
   61    58 S   HC   _H25    45     1.09472   111.01685   -70.45244
   62    55 S   CM   _C8_    56     1.34325   123.95238   123.52263
   63    62 S   HC   _H9_    57     1.08787   117.98830     0.72900
   64    57 S   CT   _C18    81     1.42263   113.17757  -148.82909
   65    64 S   HC   _H19    82     1.09331   108.19265  -179.44680
   66    64 S   HC   _H20    83     1.09422   110.36083    62.04329
   67    64 S   HC   _H21    84     1.09368   111.03820   -60.49347
   68    62 S   C5B  _C9_    58     1.42647   125.31093  -178.39904
   69    68 S   C5A  _C10    59     1.37904   123.97231   177.47865
   70    69 S   HA   _H10    60     1.08148   129.14970     0.25179
   71    69 S   SA   _S1_    61     1.71434   109.51099  -179.41987
   72    71 S   CRA  _C11    62     1.72052    89.69391     0.14804
   73    72 S   C5B  _C12    63     1.48690   122.53751   179.74056
   74    68 S   N5B  _N4_    79     1.38115   120.34963    -1.81100
   75    73 S   C5A  _C13    64     1.38035   122.71352  -179.44012
   76    75 S   HA   _H11    65     1.08128   129.02544    -0.02798
   77    75 S   SA   _S2_    66     1.71327   109.81406   179.95154
   78    77 S   CRA  _C14    67     1.72115    89.63651    -0.00000
   79    73 S   N5B  _N5_    68     1.38335   122.02866     0.50085
   80    78 S   CT   _C15    69     1.50580   120.36577  -179.97202
   81    80 S   HC   _H12    70     1.09762   109.86528    -0.05595
   82    80 S   CT   _C16    71     1.52911   110.44910  -118.70782
   83    82 S   HC   _H13    72     1.09602   111.62927   -61.74231
   84    82 S   HC   _H14    73     1.09524   110.73801   178.00120
   85    82 S   HC   _H15    74     1.09580   110.92509    58.27231
   86    80 S   CT   _C17    75     1.52912   110.44879   118.59168
   87    86 S   HC   _H16    76     1.09602   111.62888    61.74158
   88    86 S   HC   _H17    77     1.09579   110.92615   -58.27426
   89    86 S   HC   _H18    78     1.09524   110.73694  -178.00286
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  20   2   1   1  11   5  15   9   7   6   2   7   3   2   1  11
   5   3   2   1   1   4   8   4   5   3   2   1   1   7   3   3
   2   1   1   6   5   3   5   7   7   2   5   3   6  11   4   9
   8   7   3   2   1   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    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    39    40    44    48    41    50  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    54    39    40    44    45    46    47    48    49    55    57    41    50    51    52    53  
   35    36  
   36  
    0  
   38    42    43    54    58    39    40    44    48    41    50  
   42    43    54    39    41  
   40    44    45    46    47    48    49    55    56    62    57    64    41    50    42  
   44    45    46    47    48    49    55    57    41  
   50    51    52    53    42    44    48  
   43    54    58    59    60    61  
   54    58  
   45    46    47    48    49    55    57  
   46    47    48  
   47    48  
   48  
   49    55    56    62    63    68    57    64    65    66    67  
   55    56    62    57    64  
   51    52    53  
   52    53  
   53  
    0  
   58    59    60    61  
   56    62    63    68    69    74    57    64  
   62    63    68    57  
   64    65    66    67    62  
   59    60    61  
   60    61  
   61  
    0  
   63    68    69    70    71    72    74  
   68    69    74  
   65    66    67  
   66    67  
   67  
    0  
   69    70    71    72    73    74  
   70    71    72    73    74  
   71    72    74  
   72    73    75    79    74  
   73    75    76    77    78    79    74  
   75    76    77    78    79    80    74  
   75    79  
   76    77    78    79    80  
   77    78    79  
   78    79    80    81    82    86  
   79    80    81    82    83    84    85    86    87    88    89  
   80    81    82    86  
   81    82    83    84    85    86    87    88    89  
   82    83    84    85    86    87    88    89  
   83    84    85    86    87    88    89  
   84    85    86  
   85    86  
   86  
   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  -0.316400   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   0.417900   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   3.5500   0.0760  -0.785200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   55   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   58   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   71   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   72   3.5500   0.0700   0.300900   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700   0.284300   2.5000   1.7750   0.001000000  -0.843144165
   74   3.2800   0.1700  -0.480300   1.8000   1.6000   0.001000000  -0.511443539
   75   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   77   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   78   3.5500   0.0700   0.185900   2.0020   1.7750   0.001000000  -0.843144165
   79   3.2800   0.1700  -0.480300   1.8000   1.6000   0.001000000  -0.511443539
   80   3.5000   0.0660   0.055000   2.4950   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.3810   1.2100   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   1.3810   1.2100   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   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   317.000  1.510
   33    39   268.000  1.529
   33    41   320.000  1.410
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    54   440.000  1.360
   54    58   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   39    40   340.000  1.090
   39    44   268.000  1.529
   39    48   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   48    49   340.000  1.090
   48    55   317.000  1.510
   48    57   320.000  1.410
   55    56   340.000  1.080
   55    62   549.000  1.340
   62    63   340.000  1.080
   62    68   320.000  1.460
   68    69   520.000  1.370
   68    74   410.000  1.394
   69    70   367.000  1.080
   69    71   265.000  1.745
   71    72   250.000  1.765
   72    73   330.000  1.454
   72    74   488.000  1.335
   73    75   520.000  1.370
   73    79   410.000  1.394
   75    76   367.000  1.080
   75    77   265.000  1.745
   77    78   250.000  1.765
   78    79   488.000  1.335
   78    80   295.000  1.488
   80    81   340.000  1.090
   80    82   268.000  1.529
   80    86   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   57    64   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   41    50   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   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  112.20000
   29    33    39    75.00000  111.63000
   29    33    41    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    44    58.35000  112.70000
   33    39    48    58.35000  112.70000
   33    41    50    60.00000  109.50000
   37    42    43    65.00000  137.10300
   37    42    54    80.00000  120.01400
   42    37    38    40.00000  120.50800
   42    54    58    90.00000  111.18400
   54    42    43    65.00000  121.00000
   54    58    59    35.00000  109.50000
   54    58    60    35.00000  109.50000
   54    58    61    35.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    44    45    37.50000  110.70000
   39    44    46    37.50000  110.70000
   39    44    47    37.50000  110.70000
   39    48    49    37.50000  110.70000
   39    48    55    70.00000  112.02700
   39    48    57    50.00000  109.50000
   44    39    40    37.50000  110.70000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   48    39    40    37.50000  110.70000
   48    39    44    58.35000  112.70000
   48    55    56    35.00000  117.00000
   48    55    62    70.00000  124.00000
   48    57    64    60.00000  109.50000
   55    48    49    35.00000  109.50000
   55    62    63    35.00000  120.00000
   55    62    68    60.00000  123.20500
   62    55    56    35.00000  120.00000
   62    68    69    60.00000  120.93500
   62    68    74    70.00000  118.40000
   68    62    63    40.00000  117.26300
   68    69    70    35.00000  130.70000
   68    69    71    80.00000  111.29200
   68    74    72    70.00000  110.00000
   69    71    72   120.00000   89.04400
   71    69    70    40.00000  122.38200
   71    72    73    65.00000  123.00000
   71    72    74    80.00000  114.57700
   72    73    75    55.00000  131.00000
   72    73    79    70.00000  121.90000
   73    75    76    35.00000  130.70000
   73    75    77    80.00000  111.29200
   73    79    78    70.00000  110.00000
   75    77    78   120.00000   89.04400
   77    75    76    40.00000  122.38200
   77    78    79    80.00000  114.57700
   77    78    80    65.00000  125.49400
   78    80    81    45.00000  109.19200
   78    80    82    70.00000  112.56400
   78    80    86    70.00000  112.56400
   79    73    75    70.00000  111.00000
   80    78    79    65.00000  125.57700
   80    82    83    37.50000  110.70000
   80    82    84    37.50000  110.70000
   80    82    85    37.50000  110.70000
   80    86    87    37.50000  110.70000
   80    86    88    37.50000  110.70000
   80    86    89    37.50000  110.70000
   82    80    81    37.50000  110.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   86    80    81    37.50000  110.70000
   86    80    82    58.35000  112.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   74    68    69    70.00000  111.00000
   74    72    73    65.00000  126.92000
   57    48    49    35.00000  109.50000
   57    48    55    85.00000  110.90400
   57    64    65    35.00000  109.50000
   57    64    66    35.00000  109.50000
   57    64    67    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   41    33    37    85.00000  110.90400
   41    33    39    50.00000  109.50000
   41    50    51    35.00000  109.50000
   41    50    52    35.00000  109.50000
   41    50    53    35.00000  109.50000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   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
   24    29    33    41   0.13850  1.0 1.0
   24    29    33    41  -1.34450 -1.0 2.0
   24    29    33    41   0.57400  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   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    44   0.44750  1.0 1.0
   29    33    39    44  -0.17800 -1.0 2.0
   29    33    39    44   0.20200  1.0 3.0
   29    33    39    48   0.44750  1.0 1.0
   29    33    39    48  -0.17800 -1.0 2.0
   29    33    39    48   0.20200  1.0 3.0
   29    33    41    50   0.14700  1.0 1.0
   29    33    41    50  -1.16150 -1.0 2.0
   29    33    41    50   0.48700  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    54   7.00000 -1.0 2.0
   33    39    44    45   0.15000  1.0 3.0
   33    39    44    46   0.15000  1.0 3.0
   33    39    44    47   0.15000  1.0 3.0
   33    39    48    49   0.15000  1.0 3.0
   33    39    48    55   0.34400  1.0 1.0
   33    39    48    55   0.09450 -1.0 2.0
   33    39    48    55   0.11100  1.0 3.0
   33    39    48    57   0.62750  1.0 1.0
   33    39    48    57  -0.30950 -1.0 2.0
   33    39    48    57   0.27300  1.0 3.0
   33    41    50    51   0.37050  1.0 3.0
   33    41    50    52   0.37050  1.0 3.0
   33    41    50    53   0.37050  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    44   0.34400  1.0 1.0
   37    33    39    44   0.09450 -1.0 2.0
   37    33    39    44   0.11100  1.0 3.0
   37    33    39    48   0.34400  1.0 1.0
   37    33    39    48   0.09450 -1.0 2.0
   37    33    39    48   0.11100  1.0 3.0
   37    33    41    50  -0.77900  1.0 1.0
   37    33    41    50  -0.36900 -1.0 2.0
   37    33    41    50   0.40400  1.0 3.0
   37    42    54    58  -2.26850  1.0 1.0
   37    42    54    58   3.39050 -1.0 2.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    54   7.00000 -1.0 2.0
   42    54    58    59   0.08050  1.0 3.0
   42    54    58    60   0.08050  1.0 3.0
   42    54    58    61   0.08050  1.0 3.0
   43    42    54    58   2.00000 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    41    50   0.06250  1.0 1.0
   39    33    41    50  -0.01100 -1.0 2.0
   39    33    41    50   0.28050  1.0 3.0
   39    48    55    56   0.00000  1.0 1.0
   39    48    55    62   0.09850  1.0 1.0
   39    48    55    62   0.15250 -1.0 2.0
   39    48    55    62  -0.50650  1.0 3.0
   39    48    57    64   0.06250  1.0 1.0
   39    48    57    64  -0.01100 -1.0 2.0
   39    48    57    64   0.28050  1.0 3.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    46   0.15000  1.0 3.0
   40    39    44    47   0.15000  1.0 3.0
   40    39    48    49   0.15000  1.0 3.0
   40    39    48    55   0.15000  1.0 3.0
   40    39    48    57   0.23400  1.0 3.0
   44    39    48    49   0.15000  1.0 3.0
   44    39    48    55   0.34400  1.0 1.0
   44    39    48    55   0.09450 -1.0 2.0
   44    39    48    55   0.11100  1.0 3.0
   44    39    48    57   0.62750  1.0 1.0
   44    39    48    57  -0.30950 -1.0 2.0
   44    39    48    57   0.27300  1.0 3.0
   48    39    44    45   0.15000  1.0 3.0
   48    39    44    46   0.15000  1.0 3.0
   48    39    44    47   0.15000  1.0 3.0
   48    55    62    63   7.00000 -1.0 2.0
   48    55    62    68   7.00000 -1.0 2.0
   48    57    64    65   0.37050  1.0 3.0
   48    57    64    66   0.37050  1.0 3.0
   48    57    64    67   0.37050  1.0 3.0
   49    48    55    56   0.33100  1.0 3.0
   49    48    55    62   0.00000  1.0 1.0
   49    48    57    64   0.37050  1.0 3.0
   55    48    57    64  -0.77900  1.0 1.0
   55    48    57    64  -0.36900 -1.0 2.0
   55    48    57    64   0.40400  1.0 3.0
   55    62    68    69   0.15800  1.0 1.0
   55    62    68    69   1.85350 -1.0 2.0
   55    62    68    69  -0.48700  1.0 3.0
   55    62    68    74   0.11450  1.0 1.0
   55    62    68    74   1.85100 -1.0 2.0
   55    62    68    74  -0.49050  1.0 3.0
   56    55    62    63   7.00000 -1.0 2.0
   56    55    62    68   7.00000 -1.0 2.0
   62    68    69    70   3.62500 -1.0 2.0
   62    68    69    71   3.62500 -1.0 2.0
   62    68    74    72   3.62500 -1.0 2.0
   63    62    68    69   0.56550  1.0 3.0
   63    62    68    74   0.54250  1.0 3.0
   68    69   -71    72   3.62500 -1.0 2.0
   69    68   -74    72   2.40000 -1.0 2.0
   69    71    72    73   3.62500 -1.0 2.0
   69    71   -72    74   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   71    72    73    75   0.13800  1.0 1.0
   71    72    73    75   0.61700 -1.0 2.0
   71    72    73    75   0.18800  1.0 3.0
   71    72    73    79  -0.86650  1.0 1.0
   71    72    73    79   1.49250 -1.0 2.0
   71    72    73    79   0.28400  1.0 3.0
   71    72   -74    68   3.62500 -1.0 2.0
   72    73    75    76   3.62500 -1.0 2.0
   72    73    75    77   3.62500 -1.0 2.0
   72    73    79    78   3.62500 -1.0 2.0
   73    72    74    68   3.62500 -1.0 2.0
   73    75   -77    78   3.62500 -1.0 2.0
   75    73   -79    78   2.40000 -1.0 2.0
   75    77   -78    79   3.62500 -1.0 2.0
   75    77    78    80   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   77    78   -79    73   3.62500 -1.0 2.0
   77    78    80    81   0.00000  1.0 1.0
   77    78    80    82  -1.00500  1.0 1.0
   77    78    80    82  -0.91300 -1.0 2.0
   77    78    80    82   0.11400  1.0 3.0
   77    78    80    86  -1.00500  1.0 1.0
   77    78    80    86  -0.91300 -1.0 2.0
   77    78    80    86   0.11400  1.0 3.0
   78    80    82    83   0.43200  1.0 3.0
   78    80    82    84   0.43200  1.0 3.0
   78    80    82    85   0.43200  1.0 3.0
   78    80    86    87   0.43200  1.0 3.0
   78    80    86    88   0.43200  1.0 3.0
   78    80    86    89   0.43200  1.0 3.0
   79    73    75    76   3.62500 -1.0 2.0
   79    73   -75    77   3.62500 -1.0 2.0
   79    78    80    81   0.00000  1.0 1.0
   79    78    80    82   0.29300  1.0 1.0
   79    78    80    82  -1.19700 -1.0 2.0
   79    78    80    82   0.60900  1.0 3.0
   79    78    80    86   0.29300  1.0 1.0
   79    78    80    86  -1.19700 -1.0 2.0
   79    78    80    86   0.60900  1.0 3.0
   80    78    79    73   3.62500 -1.0 2.0
   81    80    82    83   0.15000  1.0 3.0
   81    80    82    84   0.15000  1.0 3.0
   81    80    82    85   0.15000  1.0 3.0
   81    80    86    87   0.15000  1.0 3.0
   81    80    86    88   0.15000  1.0 3.0
   81    80    86    89   0.15000  1.0 3.0
   82    80    86    87   0.15000  1.0 3.0
   82    80    86    88   0.15000  1.0 3.0
   82    80    86    89   0.15000  1.0 3.0
   86    80    82    83   0.15000  1.0 3.0
   86    80    82    84   0.15000  1.0 3.0
   86    80    82    85   0.15000  1.0 3.0
   74    68    69    70   3.62500 -1.0 2.0
   74    68   -69    71   3.62500 -1.0 2.0
   74    72    73    75   0.04300  1.0 1.0
   74    72    73    75   0.58850 -1.0 2.0
   74    72    73    75   0.22750  1.0 3.0
   74    72    73    79   0.60800  1.0 1.0
   74    72    73    79   1.31550 -1.0 2.0
   74    72    73    79   1.01100  1.0 3.0
   57    48    55    56   0.00000  1.0 1.0
   57    48    55    62   0.39000  1.0 1.0
   57    48    55    62  -0.05800 -1.0 2.0
   57    48    55    62  -0.55150  1.0 3.0
   41    33    37    38   0.00000  1.0 1.0
   41    33    37    42   0.39000  1.0 1.0
   41    33    37    42  -0.05800 -1.0 2.0
   41    33    37    42  -0.55150  1.0 3.0
   41    33    39    40   0.23400  1.0 3.0
   41    33    39    44   0.62750  1.0 1.0
   41    33    39    44  -0.30950 -1.0 2.0
   41    33    39    44   0.27300  1.0 3.0
   41    33    39    48   0.62750  1.0 1.0
   41    33    39    48  -0.30950 -1.0 2.0
   41    33    39    48   0.27300  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    42  15.00000 -1.0 2.0
   43    54    42    37  15.00000 -1.0 2.0
   48    56    55    62  15.00000 -1.0 2.0
   68    63    62    55  15.00000 -1.0 2.0
   69    74    68    62   4.00000 -1.0 2.0
   71    70    69    68   1.10000 -1.0 2.0
   73    74    72    71   4.00000 -1.0 2.0
   75    79    73    72   4.00000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   80    79    78    77   4.00000 -1.0 2.0
END
