* LIGAND DATABASE FILE (OPLS2005)
*
001      81    80    136    195     390
    1     0 S   NP   _N1_     1    31.73050    89.20958   -22.74952
    2     1 S   H    _HN1     2     1.02622    40.39804   -30.20104
    3     1 S   H    _H1_     3     1.03344   139.86026    19.86791
    4     1 S   H    _H2_     4     1.03213    74.23088   114.65431
    5     1 S   CT   _CA1     5     1.49947   104.76869  -137.40798
    6     5 S   HC   _HA1     6     1.09575   105.23029   100.20813
    7     5 S   CO3  _C1_     7     1.53630   113.16333   -20.22443
    8     7 S   O2Z  _O11     8     1.26326   115.37649   -43.36804
    9     7 S   O2Z  _O12     9     1.26340   114.85018   135.98770
   10     5 S   CT   _CB1    10     1.52742   106.87598  -142.33651
   11    10 S   HC   HB11    11     1.09738   108.70601   -53.99419
   12    10 S   HC   HB12    12     1.09805   110.10951    61.93816
   13    10 S   CT   _CG1    13     1.52998   114.06014  -175.05490
   14    13 S   HC   HG11    14     1.09535   111.24410   -78.75957
   15    13 S   HC   HG12    15     1.09583   110.90047    41.35781
   16    13 S   C    _CD1    16     1.51418   109.30712   160.25705
   17    16 S   O    _OE1    17     1.22870   121.84786  -109.94504
   18    16 S   N    _N2_    18     1.38462   113.02899    68.02436
   19    18 S   H    _HN2    19     1.01595   119.41583     4.84351
   20    18 S   CT1  _CA2    20     1.45617   121.99904  -167.88036
   21    20 S   HC   _HA2    21     1.09536   107.65867    34.62237
   22    20 S   C    _C2_    22     1.53076   110.78120   -81.64135
   23    22 S   O    _O2_    23     1.23138   121.02581   156.02686
   24    20 S   CT   _CB2    32     1.53368   112.34153   156.91837
   25    24 S   HC   HB21    33     1.09698   109.47970    72.04996
   26    24 S   HC   HB22    34     1.09599   110.26954  -172.07298
   27    22 S   N    _N3_    24     1.38157   114.46631   -31.60235
   28    27 S   H    _HN3    25     1.01639   119.45643     6.12884
   29    24 S   S    _SG2    35     1.83280   116.67272   -47.39645
   30    27 S   CT   _CA3    26     1.45279   122.92713  -176.40904
   31    30 S   HC   HA31    27     1.09558   107.60815   -60.27758
   32    30 S   HC   HA32    28     1.09562   107.81466    56.05341
   33    29 S   CT   _C14    36     1.84160   102.46244   -53.95207
   34    33 S   HC   _H3_    37     1.09510   106.76429    62.91800
   35    30 S   CO3  _C3_    29     1.52885   114.29414   177.98929
   36    35 S   O2Z  _O31    30     1.26337   116.07810     0.65760
   37    35 S   O2Z  _O32    31     1.26440   114.40787  -179.32016
   38    33 S   CM   _C13    38     1.50846   110.43994   -56.99754
   39    38 S   HC   _H15    39     1.08714   116.57291   -51.87979
   40    33 S   CM   _C15    74     1.51305   108.05072   179.61386
   41    38 S   CM   _C12    40     1.34422   123.15751   128.19330
   42    41 S   HC   _H14    41     1.08989   117.26917     0.42244
   43    40 S   CMA  _C16    75     1.51970   119.75442   -98.07344
   44    43 S   OM   _O33    76     1.26256   120.77712   -70.34949
   45    43 S   OM   _O34    77     1.26260   120.48199   109.83923
   46    40 S   CT   _C17    78     1.49987   121.59309    81.16952
   47    46 S   HC   _H16    79     1.09400   110.93942   -52.04579
   48    46 S   HC   _H17    80     1.09458   111.60738  -172.01384
   49    46 S   HC   _H18    81     1.09428   110.51697    68.58847
   50    41 S   CM   _C10    42     1.46534   126.91153  -179.50189
   51    50 S   CM   _C9_    43     1.35049   118.17111   179.66080
   52    51 S   HC   _H10    44     1.09087   118.23988     0.05595
   53    50 S   CT   _C11    70     1.50816   117.17657    -0.23573
   54    53 S   HC   _H11    71     1.09585   110.48257   -60.14085
   55    53 S   HC   _H12    72     1.09586   110.47412    60.21010
   56    53 S   HC   _H13    73     1.09179   113.84280  -179.96574
   57    51 S   CM   _C8_    45     1.44999   127.70113  -179.90721
   58    57 S   HC   _H9_    46     1.08471   118.25412    -0.05595
   59    57 S   CM   _C7_    47     1.34374   122.69489   179.92338
   60    59 S   HC   _H8_    48     1.08478   119.00073    -0.00000
   61    59 S   CM   _C6_    49     1.45007   122.71777  -180.00000
   62    61 S   HC   _H7_    50     1.09079   114.01853    -0.02798
   63    61 S   CM   _C5_    51     1.35068   127.70672   179.96574
   64    63 S   CM   _C18    52     1.46746   118.21245   180.00000
   65    64 S   HC   _H19    53     1.09021   115.41088     0.03956
   66    63 S   CT   _C4_    66     1.50854   124.57007    -0.02798
   67    66 S   HC   _H4_    67     1.09582   110.48348  -119.87035
   68    66 S   HC   _H5_    68     1.09581   110.48139   119.76623
   69    66 S   HC   _H6_    69     1.09178   113.85763    -0.05935
   70    64 S   CM   _C19    54     1.34424   126.77400  -180.00000
   71    70 S   HC   _H20    55     1.08378   120.18154     0.18975
   72    70 S   CM   _C20    56     1.44979   122.61156   179.81869
   73    72 S   HC   _H21    57     1.08989   115.00567    -1.70926
   74    72 S   CM   _C21    58     1.34522   126.47999   179.13317
   75    74 S   CO3  _C23    59     1.54495   116.31782   179.23690
   76    75 S   O2Z  _O36    60     1.26455   115.87682    46.35418
   77    75 S   O2Z  _O35    61     1.26522   114.80542  -134.41099
   78    74 S   CT   _C22    62     1.49959   127.58822    -0.93920
   79    78 S   HC   _H22    63     1.09472   110.27267   108.44597
   80    78 S   HC   _H23    64     1.09545   110.01617  -132.21323
   81    78 S   HC   _H24    65     1.09234   113.35565   -12.72314
  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
  14   6   2   1   1   9   4   8   9   3   6   2   1   3   2   1
   1   9  10   4   4   2   1   1   6   3   6   3   9   3   9  10
   4   4   2   1   1   6   3   9   3   7   6   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    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    40    43    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    50    40    43    44    45    46    47    48    49  
   38    39    41    40    43    46  
   36    37  
   37  
    0  
   39    41    42    50    51    53    40    43    46  
   41    42    50    40  
   43    44    45    46    47    48    49    41  
   42    50    51    52    57    53    54    55    56  
   50    51    53  
   44    45    46    47    48    49  
   45    46  
   46  
   47    48    49  
   48    49  
   49  
    0  
   51    52    57    58    59    53    54    55    56  
   52    57    58    59    60    61    53    54    55    56  
   57    58    59    53  
   54    55    56    57  
   55    56  
   56  
    0  
   58    59    60    61    62    63  
   59    60    61  
   60    61    62    63    64    66  
   61    62    63  
   62    63    64    65    70    66    67    68    69  
   63    64    66  
   64    65    70    71    72    66    67    68    69  
   65    70    71    72    73    74    66    67    68    69  
   70    71    72    66  
   67    68    69    70  
   68    69  
   69  
    0  
   71    72    73    74    75    78  
   72    73    74  
   73    74    75    76    77    78    79    80    81  
   74    75    78  
   75    76    77    78    79    80    81  
   76    77    78    79    80    81  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0760  -0.115000   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760  -0.310300   2.0020   1.7750   0.023028004  -0.852763146
   75   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   317.000  1.510
   38    39   340.000  1.080
   38    41   549.000  1.340
   41    42   340.000  1.080
   41    50   380.000  1.444
   50    51   549.000  1.340
   50    53   317.000  1.510
   51    52   340.000  1.080
   51    57   380.000  1.444
   57    58   340.000  1.080
   57    59   549.000  1.340
   59    60   340.000  1.080
   59    61   380.000  1.444
   61    62   340.000  1.080
   61    63   549.000  1.340
   63    64   380.000  1.444
   63    66   317.000  1.510
   64    65   340.000  1.080
   64    70   549.000  1.340
   70    71   340.000  1.080
   70    72   380.000  1.444
   72    73   340.000  1.080
   72    74   549.000  1.340
   74    75   230.000  1.545
   74    78   317.000  1.510
   75    76   656.000  1.250
   75    77   656.000  1.250
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   40    43   465.000  1.376
   40    46   317.000  1.510
   43    44   745.000  1.250
   43    45   745.000  1.250
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    41    70.00000  124.00000
   33    40    43    70.00000  124.00000
   33    40    46    65.00000  117.92700
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    50    70.00000  123.01800
   41    38    39    35.00000  120.00000
   41    50    51    70.00000  123.01800
   41    50    53    70.00000  124.00000
   50    41    42    35.00000  120.00000
   50    51    52    35.00000  120.00000
   50    51    57    70.00000  123.01800
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    56    35.00000  109.50000
   51    57    58    35.00000  120.00000
   51    57    59    70.00000  123.01800
   57    51    52    35.00000  120.00000
   57    59    60    35.00000  120.00000
   57    59    61    70.00000  123.01800
   59    57    58    35.00000  120.00000
   59    61    62    35.00000  120.00000
   59    61    63    70.00000  123.01800
   61    59    60    35.00000  120.00000
   61    63    64    70.00000  123.01800
   61    63    66    70.00000  124.00000
   63    61    62    35.00000  120.00000
   63    64    65    35.00000  120.00000
   63    64    70    70.00000  123.01800
   63    66    67    35.00000  109.50000
   63    66    68    35.00000  109.50000
   63    66    69    35.00000  109.50000
   64    70    71    35.00000  120.00000
   64    70    72    70.00000  123.01800
   70    64    65    35.00000  120.00000
   70    72    73    35.00000  120.00000
   70    72    74    70.00000  123.01800
   72    70    71    35.00000  120.00000
   72    74    75    55.00000  124.75400
   72    74    78    70.00000  124.00000
   74    72    73    35.00000  120.00000
   74    75    76    85.00000  113.83300
   74    75    77    85.00000  113.83300
   74    78    79    35.00000  109.50000
   74    78    80    35.00000  109.50000
   74    78    81    35.00000  109.50000
   77    75    76    80.00000  126.00000
   78    74    75    65.00000  117.04000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   66    63    64    70.00000  124.00000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   53    50    51    70.00000  124.00000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
   40    43    44    65.00000  137.10300
   40    43    45    65.00000  137.10300
   40    46    47    35.00000  109.50000
   40    46    48    35.00000  109.50000
   40    46    49    35.00000  109.50000
   45    43    44    65.00000  121.00000
   46    40    43    70.00000  124.00000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   0.81900  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   0.00000  1.0 1.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    40    43   0.42700  1.0 1.0
   29    33    40    43  -0.70350 -1.0 2.0
   29    33    40    43  -0.43150  1.0 3.0
   29    33    40    46   0.30250  1.0 1.0
   29    33    40    46  -0.14950 -1.0 2.0
   29    33    40    46   0.36900  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    50   7.00000 -1.0 2.0
   33    40    43    44   7.00000 -1.0 2.0
   33    40    43    45   7.00000 -1.0 2.0
   33    40    46    47   0.34800  1.0 3.0
   33    40    46    48   0.34800  1.0 3.0
   33    40    46    49   0.34800  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    40    43   0.00000  1.0 1.0
   34    33    40    46   0.34800  1.0 3.0
   38    33    40    43  -0.28300  1.0 1.0
   38    33    40    43   0.26700 -1.0 2.0
   38    33    40    43  -0.63300  1.0 3.0
   38    33    40    46   0.09700  1.0 1.0
   38    33    40    46   0.15600 -1.0 2.0
   38    33    40    46  -0.50800  1.0 3.0
   38    41    50    51   0.28850  1.0 1.0
   38    41    50    51   2.61350 -1.0 2.0
   38    41    50    51   0.78400  1.0 3.0
   38    41    50    53  -0.18600  1.0 3.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    50   7.00000 -1.0 2.0
   41    50    51    52   7.00000 -1.0 2.0
   41    50    51    57   7.00000 -1.0 2.0
   41    50    53    54   0.00000  1.0 1.0
   41    50    53    55   0.00000  1.0 1.0
   41    50    53    56   0.00000  1.0 1.0
   42    41    50    51  -0.18600  1.0 3.0
   42    41    50    53   0.00000  1.0 1.0
   50    51    57    58  -0.18600  1.0 3.0
   50    51    57    59   0.28850  1.0 1.0
   50    51    57    59   2.61350 -1.0 2.0
   50    51    57    59   0.78400  1.0 3.0
   51    50    53    54   0.00000  1.0 1.0
   51    50    53    55   0.00000  1.0 1.0
   51    50    53    56   0.00000  1.0 1.0
   51    57    59    60   7.00000 -1.0 2.0
   51    57    59    61   7.00000 -1.0 2.0
   52    51    57    58   0.00000  1.0 1.0
   52    51    57    59  -0.18600  1.0 3.0
   57    59    61    62  -0.18600  1.0 3.0
   57    59    61    63   0.28850  1.0 1.0
   57    59    61    63   2.61350 -1.0 2.0
   57    59    61    63   0.78400  1.0 3.0
   58    57    59    60   7.00000 -1.0 2.0
   58    57    59    61   7.00000 -1.0 2.0
   59    61    63    64   7.00000 -1.0 2.0
   59    61    63    66   7.00000 -1.0 2.0
   60    59    61    62   0.00000  1.0 1.0
   60    59    61    63  -0.18600  1.0 3.0
   61    63    64    65  -0.18600  1.0 3.0
   61    63    64    70   0.28850  1.0 1.0
   61    63    64    70   2.61350 -1.0 2.0
   61    63    64    70   0.78400  1.0 3.0
   61    63    66    67   0.00000  1.0 1.0
   61    63    66    68   0.00000  1.0 1.0
   61    63    66    69   0.00000  1.0 1.0
   62    61    63    64   7.00000 -1.0 2.0
   62    61    63    66   7.00000 -1.0 2.0
   63    64    70    71   7.00000 -1.0 2.0
   63    64    70    72   7.00000 -1.0 2.0
   64    63    66    67   0.00000  1.0 1.0
   64    63    66    68   0.00000  1.0 1.0
   64    63    66    69   0.00000  1.0 1.0
   64    70    72    73  -0.18600  1.0 3.0
   64    70    72    74   0.28850  1.0 1.0
   64    70    72    74   2.61350 -1.0 2.0
   64    70    72    74   0.78400  1.0 3.0
   65    64    70    71   7.00000 -1.0 2.0
   65    64    70    72   7.00000 -1.0 2.0
   70    72    74    75   7.00000 -1.0 2.0
   70    72    74    78   7.00000 -1.0 2.0
   71    70    72    73   0.00000  1.0 1.0
   71    70    72    74  -0.18600  1.0 3.0
   72    74    75    76  -0.04000 -1.0 2.0
   72    74    75    76  -0.29050  1.0 3.0
   72    74    75    77  -0.04000 -1.0 2.0
   72    74    75    77  -0.29050  1.0 3.0
   72    74    78    79   0.00000  1.0 1.0
   72    74    78    80   0.00000  1.0 1.0
   72    74    78    81   0.00000  1.0 1.0
   73    72    74    75   7.00000 -1.0 2.0
   73    72    74    78   7.00000 -1.0 2.0
   75    74    78    79   0.15000  1.0 3.0
   75    74    78    80   0.15000  1.0 3.0
   75    74    78    81   0.15000  1.0 3.0
   78    74    75    76  -0.64400  1.0 1.0
   78    74    75    76   0.26850 -1.0 2.0
   78    74    75    77  -0.64400  1.0 1.0
   78    74    75    77   0.26850 -1.0 2.0
   66    63    64    65   0.00000  1.0 1.0
   66    63    64    70  -0.18600  1.0 3.0
   53    50    51    52   7.00000 -1.0 2.0
   53    50    51    57   7.00000 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    41  -0.28300  1.0 1.0
   40    33    38    41   0.26700 -1.0 2.0
   40    33    38    41  -0.63300  1.0 3.0
   43    40    46    47   0.00000  1.0 1.0
   43    40    46    48   0.00000  1.0 1.0
   43    40    46    49   0.00000  1.0 1.0
   46    40    43    44   7.00000 -1.0 2.0
   46    40    43    45   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    41  15.00000 -1.0 2.0
   50    42    41    38  15.00000 -1.0 2.0
   41    53    50    51  15.00000 -1.0 2.0
   57    52    51    50  15.00000 -1.0 2.0
   51    58    57    59  15.00000 -1.0 2.0
   61    60    59    57  15.00000 -1.0 2.0
   59    62    61    63  15.00000 -1.0 2.0
   64    66    63    61  15.00000 -1.0 2.0
   63    65    64    70  15.00000 -1.0 2.0
   72    71    70    64  15.00000 -1.0 2.0
   70    73    72    74  15.00000 -1.0 2.0
   75    78    74    72  15.00000 -1.0 2.0
   76    74    75    77  10.50000 -1.0 2.0
   33    46    40    43  15.00000 -1.0 2.0
   44    45    43    40  15.00000 -1.0 2.0
END
