* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    154    240     446
    1     0 S   NP   _N1_     1    29.45570    96.47658   -17.01488
    2     1 S   H    _HN1     2     1.02769    64.83998   -74.57692
    3     1 S   H    _H1_     3     1.02965    93.45116    34.15961
    4     1 S   H    _H2_     4     1.02833    52.32741   142.88927
    5     1 S   CT   _CA1     5     1.50223   154.98029  -163.90606
    6     5 S   HC   _HA1     6     1.09575   105.10713    16.55672
    7     5 S   CO3  _C1_     7     1.53954   112.59321  -103.16398
    8     7 S   O2Z  _O11     8     1.26348   115.04801   -32.60825
    9     7 S   O2Z  _O12     9     1.26263   115.04191   146.44216
   10     5 S   CT   _CB1    10     1.53166   107.30138   134.39992
   11    10 S   HC   HB11    11     1.09812   109.39870   -48.78453
   12    10 S   HC   HB12    12     1.09770   110.20379    67.70103
   13    10 S   CT   _CG1    13     1.52940   112.82344  -169.91831
   14    13 S   HC   HG11    14     1.09544   110.23214   -62.99624
   15    13 S   HC   HG12    15     1.09643   110.07616    56.01997
   16    13 S   C    _CD1    16     1.51926   112.66384   176.29726
   17    16 S   O    _OE1    17     1.22663   123.39118    -9.97616
   18    16 S   N    _N2_    18     1.38592   111.39261   170.58278
   19    18 S   H    _HN2    19     1.01601   118.77772     1.34668
   20    18 S   CT1  _CA2    20     1.46195   123.94678  -178.47787
   21    20 S   HC   _HA2    21     1.09727   109.38519   -16.74630
   22    20 S   C    _C2_    22     1.53507   107.70880  -132.14875
   23    22 S   O    _O2_    23     1.22989   122.43140  -144.22474
   24    20 S   CT   _CB2    32     1.53551   111.34810   105.86375
   25    24 S   HC   HB21    33     1.09490   110.08395    49.89848
   26    24 S   HC   HB22    34     1.09517   110.51349   167.87548
   27    22 S   N    _N3_    24     1.38569   113.23168    43.03038
   28    27 S   H    _HN3    25     1.01534   118.90769    -0.46352
   29    24 S   S    _SG2    35     1.83061   112.05657   -74.30164
   30    27 S   CT   _CA3    26     1.45456   123.47318   175.24239
   31    30 S   HC   HA31    27     1.09521   109.27241    23.55946
   32    30 S   HC   HA32    28     1.09497   107.10323   140.56672
   33    29 S   CT   _C21    36     1.84457   101.27292   126.59521
   34    33 S   HC   _H3_    37     1.09649   106.12138   165.94466
   35    30 S   CO3  _C3_    29     1.52927   113.12644   -99.94942
   36    35 S   O2Z  _O31    30     1.26402   115.41540   -44.03914
   37    35 S   O2Z  _O32    31     1.26357   114.97782   136.91223
   38    33 S   CT   _C17    38     1.53494   110.53253   -75.96854
   39    38 S   HC   _H37    39     1.09572   110.58174    46.06797
   40    33 S   OS   _O23    67     1.43120   112.20039    45.48381
   41    38 S   CO4  _C9_    40     1.51454   114.52538   -74.92032
   42    41 S   O    _O20    41     1.22071   126.53613    33.69717
   43    40 S   CO   _C14    68     1.42376   113.98395    88.27956
   44    43 S   HC   _H34    69     1.09618   111.08102    50.60112
   45    41 S   OS   _O22    42     1.36804   109.87407  -148.53972
   46    43 S   CM   _C4_    70     1.47753   108.30826   172.00007
   47    46 S   HC   _H25    71     1.08070   123.82441   -59.69121
   48    45 S   CT   _C16    43     1.42736   110.08057     4.53082
   49    48 S   HC   _H36    44     1.09399   110.27654  -106.16122
   50    46 S   CM   _C5_    72     1.33034   111.48796   120.23406
   51    48 S   CM   _C7_    45     1.48997   110.21704   127.37634
   52    50 S   CO4  _C8_    73     1.46714   106.34027     0.03426
   53    52 S   O    _O19    74     1.21871   125.51096  -179.75292
   54    50 S   CT   _C19    76     1.47819   130.01887  -179.83929
   55    54 S   HC   _H39    77     1.09448   110.52637   119.97814
   56    54 S   HC   _H40    78     1.09480   111.42492    -0.01978
   57    54 S   HC   _H41    79     1.09448   110.52726  -120.00184
   58    51 S   CM   _C6_    46     1.33900   111.40652   -99.92622
   59    43 S   OS   _O21    75     1.43022   113.53135   -73.60778
   60    58 S   CT   _C10    47     1.48964   124.52014   178.16752
   61    60 S   HC   _H26    48     1.09571   110.25460   133.84058
   62    60 S   HC   _H27    49     1.09648   108.77246  -108.70837
   63    58 S   CT   _C11    62     1.49368   111.89976     1.61131
   64    63 S   HC   _H28    63     1.09422   109.92860   105.58847
   65    63 S   HC   _H29    64     1.09450   111.62814  -133.38579
   66    60 S   CT   _C12    50     1.53466   111.84776    12.36364
   67    66 S   HC   _H30    51     1.09711   109.43153    80.77476
   68    66 S   HC   _H31    52     1.09611   109.40226  -162.83269
   69    38 S   CT   _C18    65     1.52532   115.99213   167.43065
   70    69 S   HC   _H38    66     1.09831   111.08672   -86.24625
   71    66 S   CT   _C13    53     1.53363   112.04994   -40.75956
   72    71 S   HC   _H32    54     1.09639   109.80604  -178.91106
   73    71 S   HC   _H33    55     1.09849   108.38388   -63.10156
   74    51 S   CT   _C15    56     1.49840   123.88491    76.72614
   75    74 S   HC   _H35    57     1.09746   108.94364   -45.03087
   76    74 S   CT   _C20    58     1.53009   110.64608    73.47438
   77    76 S   HC   _H42    59     1.09541   111.89003    58.92238
   78    76 S   HC   _H43    60     1.09558   111.06376   -61.47818
   79    76 S   HC   _H44    61     1.09532   110.68936   179.35563
  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   8   5   4   3
  15   6   2   1   1  15   8   9   8   3   8   5   8   9   4  13
   6   7  19   6   2   4   2   1   1  15   1  13   6   5   6   3
   2   8   5   4   2   1   8   4   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    69    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    45    48    63    69    70    40    43    44    46    59  
   38    39    41    69    40    43  
   36    37  
   37  
    0  
   39    41    42    45    48    49    51    58    63    64    65    69    70    40    43  
   41    42    45    48    63    69    70    40  
   43    44    46    47    50    52    59    41    69  
   42    45    48    49    51    63    69    70  
   45    48    69  
   44    46    47    50    52    53    59    54  
   46    47    50    52    59  
   48    49    51    58    74    63    69    70  
   47    50    52    53    59    54    55    56    57  
   50    52    59    54  
   49    51    58    60    71    74    75    76    63    64    65    69    70  
   51    58    74    63    69    70  
   52    53    59    54    55    56    57  
   58    60    61    62    66    71    72    73    74    75    76    77    78    79    63    64    65    69    70  
   53    59    54    55    56    57  
   59    54  
   55    56    57    59  
   56    57  
   57  
    0  
   60    61    62    66    67    68    71    74    75    76    63    64    65    69    70  
    0  
   61    62    66    67    68    71    72    73    74    63    64    65    69  
   62    66    67    68    71    63  
   66    67    68    71    63  
   64    65    69    70    66    74  
   65    69    70  
   69    70  
   67    68    71    72    73    74    75    76  
   68    71    72    73    74  
   71    72    73    74  
   70    74  
    0  
   72    73    74    75    76    77    78    79  
   73    74    75    76  
   74    75    76  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79  
   78    79  
   79  
    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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.271400   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   45   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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
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   268.000  1.529
   33    40   320.000  1.410
   38    39   340.000  1.090
   38    41   317.000  1.522
   38    69   268.000  1.529
   41    42   570.000  1.229
   41    45   214.000  1.327
   45    48   320.000  1.410
   48    49   340.000  1.090
   48    51   317.000  1.510
   48    69   268.000  1.529
   51    58   549.000  1.340
   51    74   317.000  1.510
   58    60   317.000  1.510
   58    63   317.000  1.510
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   268.000  1.529
   74    75   340.000  1.090
   74    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   268.000  1.529
   69    70   340.000  1.090
   40    43   320.000  1.380
   43    44   340.000  1.090
   43    46   317.000  1.510
   43    59   320.000  1.380
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    52   320.000  1.462
   50    54   317.000  1.510
   52    53   570.000  1.229
   52    59   214.000  1.327
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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  111.63000
   29    33    40    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    38    69    58.35000  112.70000
   33    40    43    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    45    81.00000  111.40000
   38    69    48    58.35000  112.70000
   38    69    63    58.35000  112.70000
   38    69    70    37.50000  110.70000
   41    38    39    35.00000  109.50000
   41    45    48    83.00000  116.90000
   45    41    42    83.00000  123.40000
   45    48    49    35.00000  109.50000
   45    48    51    85.00000  110.90400
   45    48    69    50.00000  109.50000
   48    51    58    70.00000  124.00000
   48    51    74    65.00000  117.92700
   48    69    63    58.35000  112.70000
   48    69    70    37.50000  110.70000
   51    48    49    35.00000  109.50000
   51    58    60    70.00000  124.00000
   51    58    63    70.00000  124.00000
   51    74    71    70.00000  112.02700
   51    74    75    35.00000  109.50000
   51    74    76    70.00000  112.02700
   58    60    61    35.00000  109.50000
   58    60    62    35.00000  109.50000
   58    60    66    70.00000  112.02700
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    69    70.00000  112.02700
   60    66    67    37.50000  110.70000
   60    66    68    37.50000  110.70000
   60    66    71    58.35000  112.70000
   62    60    61    33.00000  107.80000
   66    60    61    37.50000  110.70000
   66    60    62    37.50000  110.70000
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    74    58.35000  112.70000
   68    66    67    33.00000  107.80000
   71    66    67    37.50000  110.70000
   71    66    68    37.50000  110.70000
   71    74    75    37.50000  110.70000
   71    74    76    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    51    58    70.00000  124.00000
   74    71    72    37.50000  110.70000
   74    71    73    37.50000  110.70000
   74    76    77    37.50000  110.70000
   74    76    78    37.50000  110.70000
   74    76    79    37.50000  110.70000
   76    74    75    37.50000  110.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   63    58    60    65.00000  117.92700
   63    69    70    37.50000  110.70000
   65    63    64    33.00000  107.80000
   69    38    39    37.50000  110.70000
   69    38    41    63.00000  111.10000
   69    48    49    37.50000  110.70000
   69    48    51    70.00000  112.02700
   69    63    64    37.50000  110.70000
   69    63    65    37.50000  110.70000
   40    33    34    35.00000  109.50000
   40    33    38    50.00000  109.50000
   40    43    44    35.00000  109.50000
   40    43    46    85.00000  110.90400
   40    43    59    92.60000  111.55000
   43    46    47    35.00000  117.00000
   43    46    50    70.00000  124.00000
   43    59    52    95.00000  111.08000
   46    43    44    35.00000  109.50000
   46    50    52    65.00000  118.96000
   46    50    54    70.00000  124.00000
   50    46    47    35.00000  120.00000
   50    52    53    80.00000  123.72100
   50    52    59    90.00000  111.29400
   50    54    55    35.00000  109.50000
   50    54    56    35.00000  109.50000
   50    54    57    35.00000  109.50000
   59    43    44    35.00000  109.50000
   59    43    46    85.00000  110.90400
   59    52    53    83.00000  123.40000
   54    50    52    65.00000  116.34900
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   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    38    39   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    38    69   0.44750  1.0 1.0
   29    33    38    69  -0.17800 -1.0 2.0
   29    33    38    69   0.20200  1.0 3.0
   29    33    40    43   0.14700  1.0 1.0
   29    33    40    43  -1.16150 -1.0 2.0
   29    33    40    43   0.48700  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    45   0.36750  1.0 3.0
   33    38    69    48   0.56750  1.0 1.0
   33    38    69    48  -0.07550 -1.0 2.0
   33    38    69    48   0.20000  1.0 3.0
   33    38    69    63   0.56750  1.0 1.0
   33    38    69    63  -0.07550 -1.0 2.0
   33    38    69    63   0.20000  1.0 3.0
   33    38    69    70   0.15000  1.0 3.0
   33    40    43    44   0.37050  1.0 3.0
   33    40    43    46  -0.77900  1.0 1.0
   33    40    43    46  -0.36900 -1.0 2.0
   33    40    43    46   0.40400  1.0 3.0
   33    40    43    59  -0.53350  1.0 1.0
   33    40    43    59  -0.78350 -1.0 2.0
   33    40    43    59   0.33750  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    38    69   0.15000  1.0 3.0
   34    33    40    43   0.37050  1.0 3.0
   38    33    40    43   0.06250  1.0 1.0
   38    33    40    43  -0.01100 -1.0 2.0
   38    33    40    43   0.28050  1.0 3.0
   38    41   -45    48   1.63150  1.0 1.0
   38    41   -45    48   2.92000 -1.0 2.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    45   0.00000  1.0 1.0
   39    38    69    48   0.15000  1.0 3.0
   39    38    69    63   0.15000  1.0 3.0
   39    38    69    70   0.15000  1.0 3.0
   41    38   -69    48  -0.95700  1.0 1.0
   41    38   -69    48  -0.18200 -1.0 2.0
   41    38   -69    48   0.29450  1.0 3.0
   41    38    69    63  -0.95700  1.0 1.0
   41    38    69    63  -0.18200 -1.0 2.0
   41    38    69    63   0.29450  1.0 3.0
   41    38    69    70  -0.11250  1.0 3.0
   41    45    48    49   0.08050  1.0 3.0
   41    45    48    51  -0.82050  1.0 1.0
   41    45    48    51   0.00600 -1.0 2.0
   41    45    48    51   0.04400  1.0 3.0
   41    45   -48    69  -0.25900  1.0 1.0
   41    45   -48    69  -0.47000 -1.0 2.0
   41    45   -48    69   0.11750  1.0 3.0
   42    41    45    48   3.00000 -1.0 2.0
   45    48    51    58   0.39000  1.0 1.0
   45    48    51    58  -0.05800 -1.0 2.0
   45    48    51    58  -0.55150  1.0 3.0
   45    48    51    74   0.09700  1.0 1.0
   45    48    51    74   0.15600 -1.0 2.0
   45    48    51    74  -0.50800  1.0 3.0
   45    48   -69    38   0.62750  1.0 1.0
   45    48   -69    38  -0.30950 -1.0 2.0
   45    48   -69    38   0.27300  1.0 3.0
   45    48    69    63   0.62750  1.0 1.0
   45    48    69    63  -0.30950 -1.0 2.0
   45    48    69    63   0.27300  1.0 3.0
   45    48    69    70   0.23400  1.0 3.0
   48    51    58    60   7.00000 -1.0 2.0
   48    51   -58    63   7.00000 -1.0 2.0
   48    51    74    71   0.46850  1.0 1.0
   48    51    74    71   0.08550 -1.0 2.0
   48    51    74    71   0.09800  1.0 3.0
   48    51    74    75   0.34800  1.0 3.0
   48    51    74    76   0.46850  1.0 1.0
   48    51    74    76   0.08550 -1.0 2.0
   48    51    74    76   0.09800  1.0 3.0
   49    48    51    58   0.00000  1.0 1.0
   49    48    51    74   0.34800  1.0 3.0
   49    48    69    38   0.15000  1.0 3.0
   49    48    69    63   0.15000  1.0 3.0
   49    48    69    70   0.15000  1.0 3.0
   51    48    69    38   0.34400  1.0 1.0
   51    48    69    38   0.09450 -1.0 2.0
   51    48    69    38   0.11100  1.0 3.0
   51    48   -69    63   0.34400  1.0 1.0
   51    48   -69    63   0.09450 -1.0 2.0
   51    48   -69    63   0.11100  1.0 3.0
   51    48    69    70   0.15000  1.0 3.0
   51    58    60    61   0.00000  1.0 1.0
   51    58    60    62   0.00000  1.0 1.0
   51    58    60    66   0.09850  1.0 1.0
   51    58    60    66   0.15250 -1.0 2.0
   51    58    60    66  -0.50650  1.0 3.0
   51    58    63    64   0.00000  1.0 1.0
   51    58    63    65   0.00000  1.0 1.0
   51    58   -63    69   0.09850  1.0 1.0
   51    58   -63    69   0.15250 -1.0 2.0
   51    58   -63    69  -0.50650  1.0 3.0
   51    74    76    77   0.15000  1.0 3.0
   51    74    76    78   0.15000  1.0 3.0
   51    74    76    79   0.15000  1.0 3.0
   58    51    74    71   0.09850  1.0 1.0
   58    51    74    71   0.15250 -1.0 2.0
   58    51    74    71  -0.50650  1.0 3.0
   58    51    74    75   0.00000  1.0 1.0
   58    51    74    76   0.09850  1.0 1.0
   58    51    74    76   0.15250 -1.0 2.0
   58    51    74    76  -0.50650  1.0 3.0
   58    60    66    67   0.15000  1.0 3.0
   58    60    66    68   0.15000  1.0 3.0
   58    60   -66    71   0.34400  1.0 1.0
   58    60   -66    71   0.09450 -1.0 2.0
   58    60   -66    71   0.11100  1.0 3.0
   58    63    69    38   0.34400  1.0 1.0
   58    63    69    38   0.09450 -1.0 2.0
   58    63    69    38   0.11100  1.0 3.0
   58    63   -69    48   0.34400  1.0 1.0
   58    63   -69    48   0.09450 -1.0 2.0
   58    63   -69    48   0.11100  1.0 3.0
   58    63    69    70   0.15000  1.0 3.0
   60    58    63    64   0.34800  1.0 3.0
   60    58    63    65   0.34800  1.0 3.0
   60    58    63    69   0.46850  1.0 1.0
   60    58    63    69   0.08550 -1.0 2.0
   60    58    63    69   0.09800  1.0 3.0
   60    66    71    72   0.15000  1.0 3.0
   60    66    71    73   0.15000  1.0 3.0
   60    66    71    74   0.56750  1.0 1.0
   60    66    71    74  -0.07550 -1.0 2.0
   60    66    71    74   0.20000  1.0 3.0
   61    60    66    67   0.15000  1.0 3.0
   61    60    66    68   0.15000  1.0 3.0
   61    60    66    71   0.15000  1.0 3.0
   62    60    66    67   0.15000  1.0 3.0
   62    60    66    68   0.15000  1.0 3.0
   62    60    66    71   0.15000  1.0 3.0
   66    71   -74    51   0.34400  1.0 1.0
   66    71   -74    51   0.09450 -1.0 2.0
   66    71   -74    51   0.11100  1.0 3.0
   66    71    74    75   0.15000  1.0 3.0
   66    71    74    76   0.56750  1.0 1.0
   66    71    74    76  -0.07550 -1.0 2.0
   66    71    74    76   0.20000  1.0 3.0
   67    66    71    72   0.15000  1.0 3.0
   67    66    71    73   0.15000  1.0 3.0
   67    66    71    74   0.15000  1.0 3.0
   68    66    71    72   0.15000  1.0 3.0
   68    66    71    73   0.15000  1.0 3.0
   68    66    71    74   0.15000  1.0 3.0
   71    74    76    77   0.15000  1.0 3.0
   71    74    76    78   0.15000  1.0 3.0
   71    74    76    79   0.15000  1.0 3.0
   72    71    74    51   0.15000  1.0 3.0
   72    71    74    75   0.15000  1.0 3.0
   72    71    74    76   0.15000  1.0 3.0
   73    71    74    51   0.15000  1.0 3.0
   73    71    74    75   0.15000  1.0 3.0
   73    71    74    76   0.15000  1.0 3.0
   74    51   -58    60   7.00000 -1.0 2.0
   74    51    58    63   7.00000 -1.0 2.0
   75    74    76    77   0.15000  1.0 3.0
   75    74    76    78   0.15000  1.0 3.0
   75    74    76    79   0.15000  1.0 3.0
   63    58    60    61   0.34800  1.0 3.0
   63    58    60    62   0.34800  1.0 3.0
   63    58    60    66   0.46850  1.0 1.0
   63    58    60    66   0.08550 -1.0 2.0
   63    58    60    66   0.09800  1.0 3.0
   64    63    69    38   0.15000  1.0 3.0
   64    63    69    48   0.15000  1.0 3.0
   64    63    69    70   0.15000  1.0 3.0
   65    63    69    38   0.15000  1.0 3.0
   65    63    69    48   0.15000  1.0 3.0
   65    63    69    70   0.15000  1.0 3.0
   69    38    41    42   0.30150 -1.0 2.0
   69    38   -41    45   0.36750  1.0 3.0
   69    48   -51    58   0.09850  1.0 1.0
   69    48   -51    58   0.15250 -1.0 2.0
   69    48   -51    58  -0.50650  1.0 3.0
   69    48    51    74   0.46850  1.0 1.0
   69    48    51    74   0.08550 -1.0 2.0
   69    48    51    74   0.09800  1.0 3.0
   40    33    38    39   0.23400  1.0 3.0
   40    33    38    41  -0.09450  1.0 1.0
   40    33    38    41  -1.12950 -1.0 2.0
   40    33    38    41   0.54000  1.0 3.0
   40    33    38    69   0.62750  1.0 1.0
   40    33    38    69  -0.30950 -1.0 2.0
   40    33    38    69   0.27300  1.0 3.0
   40    43    46    47   0.00000  1.0 1.0
   40    43    46    50   0.39000  1.0 1.0
   40    43    46    50  -0.05800 -1.0 2.0
   40    43    46    50  -0.55150  1.0 3.0
   40    43    59    52  -1.83450  1.0 1.0
   40    43    59    52  -0.02700 -1.0 2.0
   40    43    59    52  -0.20100  1.0 3.0
   43    46   -50    52   7.00000 -1.0 2.0
   43    46    50    54   7.00000 -1.0 2.0
   44    43    46    47   0.33100  1.0 3.0
   44    43    46    50   0.00000  1.0 1.0
   44    43    59    52   0.08050  1.0 3.0
   46    43   -59    52  -0.82050  1.0 1.0
   46    43   -59    52   0.00600 -1.0 2.0
   46    43   -59    52   0.04400  1.0 3.0
   46    50    52    53   1.00000 -1.0 2.0
   46    50   -52    59  -0.56150  1.0 1.0
   46    50   -52    59   2.19150 -1.0 2.0
   46    50    54    55   0.00000  1.0 1.0
   46    50    54    56   0.00000  1.0 1.0
   46    50    54    57   0.00000  1.0 1.0
   47    46    50    52   7.00000 -1.0 2.0
   47    46    50    54   7.00000 -1.0 2.0
   50    52   -59    43   2.00000 -1.0 2.0
   52    50    54    55   0.15000  1.0 3.0
   52    50    54    56   0.15000  1.0 3.0
   52    50    54    57   0.15000  1.0 3.0
   53    52    59    43   3.00000 -1.0 2.0
   59    43    46    47   0.00000  1.0 1.0
   59    43   -46    50   0.39000  1.0 1.0
   59    43   -46    50  -0.05800 -1.0 2.0
   59    43   -46    50  -0.55150  1.0 3.0
   54    50    52    53  -0.64400  1.0 1.0
   54    50    52    53   0.26850 -1.0 2.0
   54    50    52    59  -0.15000  1.0 1.0
   54    50    52    59   0.89550 -1.0 2.0
   54    50    52    59  -0.06900  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
   37    30    35    36  10.50000 -1.0 2.0
   38    45    41    42  10.50000 -1.0 2.0
   48    74    51    58   1.10000 -1.0 2.0
   60    63    58    51   1.10000 -1.0 2.0
   43    47    46    50   1.10000 -1.0 2.0
   52    54    50    46   1.10000 -1.0 2.0
   50    59    52    53  10.50000 -1.0 2.0
END
