* LIGAND DATABASE FILE (OPLS2005)
*
001      86    86    155    231     454
    1     0 S   NP   _N1_     1    30.65587    98.94032   -24.52691
    2     1 S   H    _HN1     2     1.03479   157.39540  -106.60670
    3     1 S   H    _H1_     3     1.02850    57.09312   -52.64479
    4     1 S   H    _H2_     4     1.02751    66.17594   175.00970
    5     1 S   CT   _CA1     5     1.50099    90.44719    62.13186
    6     5 S   HC   _HA1     6     1.09546   104.86631   123.83108
    7     5 S   CO3  _C1_     7     1.53676   113.35268     3.26105
    8     7 S   O2Z  _O11     8     1.26407   115.09810   -31.30395
    9     7 S   O2Z  _O12     9     1.26243   115.02989   148.07241
   10     5 S   CT   _CB1    10     1.53014   107.42429  -117.70793
   11    10 S   HC   HB11    11     1.09538   109.46632   -39.23863
   12    10 S   HC   HB12    12     1.09839   110.43198    76.35086
   13    10 S   CT   _CG1    13     1.53236   113.01396  -161.79044
   14    13 S   HC   HG11    14     1.09547   110.90718   -94.30670
   15    13 S   HC   HG12    15     1.09609   111.57504    24.98343
   16    13 S   C    _CD1    16     1.51546   109.31658   145.67355
   17    16 S   O    _OE1    17     1.22808   121.83231    86.00582
   18    16 S   N    _N2_    18     1.38556   112.52500   -90.66844
   19    18 S   H    _HN2    19     1.01608   119.16421    -5.40095
   20    18 S   CT1  _CA2    20     1.46206   123.61935   173.44650
   21    20 S   HC   _HA2    21     1.09709   109.24513    -7.97740
   22    20 S   C    _C2_    22     1.53850   109.09888  -123.84159
   23    22 S   O    _O2_    23     1.23095   122.01025  -158.00047
   24    20 S   CT   _CB2    32     1.53514   111.56808   114.36806
   25    24 S   HC   HB21    33     1.09337   108.99446    57.20519
   26    24 S   HC   HB22    34     1.09452   110.04280   175.59158
   27    22 S   N    _N3_    24     1.38307   114.13894    28.58809
   28    27 S   H    _HN3    25     1.01430   119.08003    -2.39163
   29    24 S   S    _SG2    35     1.82968   111.53812   -64.38815
   30    27 S   CT   _CA3    26     1.45326   123.43253   178.18544
   31    30 S   HC   HA31    27     1.09555   107.22241   -69.03594
   32    30 S   HC   HA32    28     1.09556   108.19286    47.29906
   33    29 S   CT   _C19    36     1.86355   101.56559   172.21197
   34    30 S   CO3  _C3_    29     1.53051   114.37504   169.31474
   35    34 S   O2Z  _O31    30     1.26437   116.32530    -8.21093
   36    34 S   O2Z  _O32    31     1.26409   114.45343   171.92090
   37    33 S   CM   _C18    37     1.52696   107.18587    64.88193
   38    37 S   HC   _H22    38     1.09139   114.91611    54.79013
   39    33 S   CT   _C20    77     1.54244   105.79633   178.65783
   40    39 S   HC   _H23    78     1.09573   112.41317    57.99756
   41    39 S   HC   _H24    79     1.09713   110.74280   178.03029
   42    39 S   HC   _H25    80     1.09778   112.15526   -62.73393
   43    33 S   CT   _C21    81     1.54604   111.94715   -61.61252
   44    43 S   HC   _H26    82     1.09738   111.06004    69.69724
   45    43 S   HC   _H27    83     1.09999   109.16863  -175.28524
   46    37 S   CM   _C17    39     1.34438   127.39057  -125.55323
   47    46 S   HC   _H21    40     1.08239   119.49280    -0.04846
   48    43 S   CO3  _C22    84     1.53390   117.05224   -54.20910
   49    48 S   O2Z  _O35    85     1.26367   115.12105    97.71723
   50    48 S   O2Z  _O34    86     1.26298   115.20761   -84.03198
   51    46 S   CM   _C16    41     1.45004   122.60971   179.89165
   52    51 S   HC   _H20    42     1.09070   114.05788     0.25023
   53    51 S   CM   _C15    43     1.35051   127.67295  -179.67076
   54    53 S   CM   _C14    44     1.46599   118.20108   179.96044
   55    54 S   HC   _H19    45     1.09022   115.69992     0.14935
   56    53 S   CT   _C23    73     1.50842   124.64392     0.02798
   57    56 S   HC   _H28    74     1.09586   110.46408  -119.62085
   58    56 S   HC   _H29    75     1.09584   110.47329   120.05148
   59    56 S   HC   _H30    76     1.09177   113.87950     0.24066
   60    54 S   CM   _C13    46     1.34443   126.70872   179.93439
   61    60 S   HC   _H18    47     1.08578   121.31723    -1.05536
   62    60 S   CM   _C6_    48     1.46209   123.43480  -179.11023
   63    62 S   CM   _C5_    49     1.35681   121.79996   -69.01527
   64    63 S   CT   _C10    50     1.51446   122.45618   176.36062
   65    64 S   HC   _H3_    51     1.09675   109.44005  -134.60653
   66    63 S   CT   _C4_    69     1.51262   124.47863    -3.57982
   67    66 S   HC   _H4_    70     1.09494   109.95188   111.24997
   68    66 S   HC   _H5_    71     1.09281   113.77149   -10.05403
   69    66 S   HC   _H6_    72     1.09534   110.35823  -129.39330
   70    64 S   CT   _C9_    52     1.52634   114.23509   -12.91915
   71    70 S   HC   _H9_    53     1.09590   110.00357   -77.70277
   72    70 S   HC   _H10    54     1.09646   110.32894   164.33240
   73    64 S   OH   _O33    67     1.42814   107.90747   108.87759
   74    73 S   HO   _H11    68     0.97218   107.53030   175.32107
   75    70 S   CT   _C8_    55     1.52267   110.31959    43.88596
   76    75 S   HC   _H7_    56     1.09883   108.68861    61.57124
   77    75 S   HC   _H8_    57     1.09748   109.28275   176.89631
   78    62 S   CT   _C7_    58     1.54380   115.38344   110.71342
   79    78 S   CT   _C11    59     1.54611   109.22723   -71.21674
   80    79 S   HC   _H12    60     1.09616   111.10615  -174.79779
   81    79 S   HC   _H13    61     1.09619   111.62552    65.85385
   82    79 S   HC   _H14    62     1.09548   111.88396   -54.40045
   83    78 S   CT   _C12    63     1.54676   112.31465    48.79382
   84    83 S   HC   _H15    64     1.09656   110.95008   174.10040
   85    83 S   HC   _H16    65     1.09626   111.22612    54.29230
   86    83 S   HC   _H17    66     1.09577   112.12201   -66.56810
  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  12   5   4   3
  15   2   1   1  14   5   8   3   2   1   6   4   3   6   3   2
   1   1   9   3   9  10   4   4   2   1   1   9   3  21  15  14
   7   6   2   1   1  10   6   5   2   1  11   4   3   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    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    39    40    41    42    43    44    45    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    46    47    51    39    40    41    42    43    44    45    48    49    50  
   35    36  
   36  
    0  
   38    46    47    51    52    53    39    40    41    42    43    44    45    48  
   46    47    51    39    43  
   40    41    42    43    44    45    48    46  
   41    42    43  
   42    43  
   43  
   44    45    48    49    50    46  
   45    48    49    50  
   48    49    50  
   47    51    52    53    54    56  
   51    52    53  
   49    50  
   50  
    0  
   52    53    54    55    60    56    57    58    59  
   53    54    56  
   54    55    60    61    62    56    57    58    59  
   55    60    61    62    63    78    56    57    58    59  
   60    61    62    56  
   57    58    59    60  
   58    59  
   59  
    0  
   61    62    63    64    75    78    79    83    66  
   62    63    78  
   63    64    65    70    75    76    77    78    79    80    81    82    83    84    85    86    73    66    67    68    69  
   64    65    70    71    72    75    78    79    83    73    74    66    67    68    69  
   65    70    71    72    75    76    77    78    73    74    66    67    68    69  
   70    71    72    75    73    74    66  
   67    68    69    70    73    78  
   68    69  
   69  
    0  
   71    72    75    76    77    78    79    83    73    74  
   72    75    76    77    78    73  
   75    76    77    78    73  
   74    75  
    0  
   76    77    78    79    80    81    82    83    84    85    86  
   77    78    79    83  
   78    79    83  
   79    80    81    82    83    84    85    86  
   80    81    82    83    84    85    86  
   81    82    83  
   82    83  
   83  
   84    85    86  
   85    86  
   86  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    43   268.000  1.529
   37    38   340.000  1.080
   37    46   549.000  1.340
   46    47   340.000  1.080
   46    51   380.000  1.444
   51    52   340.000  1.080
   51    53   549.000  1.340
   53    54   380.000  1.444
   53    56   317.000  1.510
   54    55   340.000  1.080
   54    60   549.000  1.340
   60    61   340.000  1.080
   60    62   380.000  1.444
   62    63   549.000  1.340
   62    78   317.000  1.510
   63    64   317.000  1.510
   63    66   317.000  1.510
   64    65   340.000  1.090
   64    70   268.000  1.529
   64    73   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   268.000  1.529
   78    79   268.000  1.529
   78    83   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   73    74   553.000  0.945
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   317.000  1.522
   48    49   656.000  1.250
   48    50   656.000  1.250
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    43    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    46    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    48    70.00000  109.69300
   37    46    47    35.00000  120.00000
   37    46    51    70.00000  123.01800
   46    37    38    35.00000  120.00000
   46    51    52    35.00000  120.00000
   46    51    53    70.00000  123.01800
   51    46    47    35.00000  120.00000
   51    53    54    70.00000  123.01800
   51    53    56    70.00000  124.00000
   53    51    52    35.00000  120.00000
   53    54    55    35.00000  120.00000
   53    54    60    70.00000  123.01800
   53    56    57    35.00000  109.50000
   53    56    58    35.00000  109.50000
   53    56    59    35.00000  109.50000
   54    60    61    35.00000  120.00000
   54    60    62    70.00000  123.01800
   60    54    55    35.00000  120.00000
   60    62    63    70.00000  123.01800
   60    62    78    70.00000  124.00000
   62    60    61    35.00000  120.00000
   62    63    64    70.00000  124.00000
   62    63    66    70.00000  124.00000
   62    78    75    70.00000  112.02700
   62    78    79    70.00000  112.02700
   62    78    83    70.00000  112.02700
   63    64    65    35.00000  109.50000
   63    64    70    70.00000  112.02700
   63    64    73    90.00000  110.39200
   63    66    67    35.00000  109.50000
   63    66    68    35.00000  109.50000
   63    66    69    35.00000  109.50000
   64    70    71    37.50000  110.70000
   64    70    72    37.50000  110.70000
   64    70    75    58.35000  112.70000
   64    73    74    55.00000  108.50000
   70    64    65    37.50000  110.70000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    78    58.35000  112.70000
   72    70    71    33.00000  107.80000
   75    70    71    37.50000  110.70000
   75    70    72    37.50000  110.70000
   75    78    79    58.35000  112.70000
   75    78    83    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    62    63    70.00000  124.00000
   78    75    76    37.50000  110.70000
   78    75    77    37.50000  110.70000
   78    79    80    37.50000  110.70000
   78    79    81    37.50000  110.70000
   78    79    82    37.50000  110.70000
   78    83    84    37.50000  110.70000
   78    83    85    37.50000  110.70000
   78    83    86    37.50000  110.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   83    78    79    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   73    64    65    35.00000  109.50000
   73    64    70    50.00000  109.50000
   66    63    64    65.00000  117.92700
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   56    53    54    70.00000  124.00000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   39    33    37    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    70.00000  112.02700
   43    33    39    58.35000  112.70000
   43    48    49    70.00000  117.00000
   43    48    50    70.00000  117.00000
   45    43    44    33.00000  107.80000
   48    43    44    35.00000  109.50000
   48    43    45    35.00000  109.50000
   50    48    49    80.00000  126.00000
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    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    46   0.42700  1.0 1.0
   29    33    37    46  -0.70350 -1.0 2.0
   29    33    37    46  -0.43150  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    48   0.56750  1.0 1.0
   29    33    43    48  -0.07550 -1.0 2.0
   29    33    43    48   0.20000  1.0 3.0
   33    37    46    47   7.00000 -1.0 2.0
   33    37    46    51   7.00000 -1.0 2.0
   33    43    48    49   0.41150 -1.0 2.0
   33    43    48    50   0.41150 -1.0 2.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    48  -0.98800  1.0 1.0
   37    33    43    48   0.48800 -1.0 2.0
   37    33    43    48   0.76800  1.0 3.0
   37    46    51    52  -0.18600  1.0 3.0
   37    46    51    53   0.28850  1.0 1.0
   37    46    51    53   2.61350 -1.0 2.0
   37    46    51    53   0.78400  1.0 3.0
   38    37    46    47   7.00000 -1.0 2.0
   38    37    46    51   7.00000 -1.0 2.0
   46    51    53    54   7.00000 -1.0 2.0
   46    51    53    56   7.00000 -1.0 2.0
   47    46    51    52   0.00000  1.0 1.0
   47    46    51    53  -0.18600  1.0 3.0
   51    53    54    55  -0.18600  1.0 3.0
   51    53    54    60   0.28850  1.0 1.0
   51    53    54    60   2.61350 -1.0 2.0
   51    53    54    60   0.78400  1.0 3.0
   51    53    56    57   0.00000  1.0 1.0
   51    53    56    58   0.00000  1.0 1.0
   51    53    56    59   0.00000  1.0 1.0
   52    51    53    54   7.00000 -1.0 2.0
   52    51    53    56   7.00000 -1.0 2.0
   53    54    60    61   7.00000 -1.0 2.0
   53    54    60    62   7.00000 -1.0 2.0
   54    53    56    57   0.00000  1.0 1.0
   54    53    56    58   0.00000  1.0 1.0
   54    53    56    59   0.00000  1.0 1.0
   54    60    62    63   0.28850  1.0 1.0
   54    60    62    63   2.61350 -1.0 2.0
   54    60    62    63   0.78400  1.0 3.0
   54    60    62    78  -0.18600  1.0 3.0
   55    54    60    61   7.00000 -1.0 2.0
   55    54    60    62   7.00000 -1.0 2.0
   60    62    63    64   7.00000 -1.0 2.0
   60    62    63    66   7.00000 -1.0 2.0
   60    62    78    75   0.98200  1.0 1.0
   60    62    78    75  -0.11900 -1.0 2.0
   60    62    78    75   0.24250  1.0 3.0
   60    62    78    79   0.98200  1.0 1.0
   60    62    78    79  -0.11900 -1.0 2.0
   60    62    78    79   0.24250  1.0 3.0
   60    62    78    83   0.98200  1.0 1.0
   60    62    78    83  -0.11900 -1.0 2.0
   60    62    78    83   0.24250  1.0 3.0
   61    60    62    63  -0.18600  1.0 3.0
   61    60    62    78   0.00000  1.0 1.0
   62    63    64    65   0.00000  1.0 1.0
   62    63    64    70   0.09850  1.0 1.0
   62    63    64    70   0.15250 -1.0 2.0
   62    63    64    70  -0.50650  1.0 3.0
   62    63    64    73   0.67800  1.0 1.0
   62    63    64    73   0.47050 -1.0 2.0
   62    63    64    73  -0.62500  1.0 3.0
   62    63    66    67   0.00000  1.0 1.0
   62    63    66    68   0.00000  1.0 1.0
   62    63    66    69   0.00000  1.0 1.0
   62    78    79    80   0.15000  1.0 3.0
   62    78    79    81   0.15000  1.0 3.0
   62    78    79    82   0.15000  1.0 3.0
   62    78    83    84   0.15000  1.0 3.0
   62    78    83    85   0.15000  1.0 3.0
   62    78    83    86   0.15000  1.0 3.0
   63    62    78    75   0.09850  1.0 1.0
   63    62    78    75   0.15250 -1.0 2.0
   63    62    78    75  -0.50650  1.0 3.0
   63    62    78    79   0.09850  1.0 1.0
   63    62    78    79   0.15250 -1.0 2.0
   63    62    78    79  -0.50650  1.0 3.0
   63    62    78    83   0.09850  1.0 1.0
   63    62    78    83   0.15250 -1.0 2.0
   63    62    78    83  -0.50650  1.0 3.0
   63    64    70    71   0.15000  1.0 3.0
   63    64    70    72   0.15000  1.0 3.0
   63    64   -70    75   0.34400  1.0 1.0
   63    64   -70    75   0.09450 -1.0 2.0
   63    64   -70    75   0.11100  1.0 3.0
   63    64    73    74  -0.07800  1.0 1.0
   63    64    73    74  -0.21500 -1.0 2.0
   63    64    73    74  -0.03150  1.0 3.0
   64    63    66    67   0.34800  1.0 3.0
   64    63    66    68   0.34800  1.0 3.0
   64    63    66    69   0.34800  1.0 3.0
   64    70    75    76   0.15000  1.0 3.0
   64    70    75    77   0.15000  1.0 3.0
   64    70    75    78   0.56750  1.0 1.0
   64    70    75    78  -0.07550 -1.0 2.0
   64    70    75    78   0.20000  1.0 3.0
   65    64    70    71   0.15000  1.0 3.0
   65    64    70    72   0.15000  1.0 3.0
   65    64    70    75   0.15000  1.0 3.0
   65    64    73    74   0.19450  1.0 3.0
   70    64    73    74  -0.11600  1.0 1.0
   70    64    73    74  -0.09450 -1.0 2.0
   70    64    73    74   0.21250  1.0 3.0
   70    75   -78    62   0.34400  1.0 1.0
   70    75   -78    62   0.09450 -1.0 2.0
   70    75   -78    62   0.11100  1.0 3.0
   70    75    78    79   0.56750  1.0 1.0
   70    75    78    79  -0.07550 -1.0 2.0
   70    75    78    79   0.20000  1.0 3.0
   70    75    78    83   0.56750  1.0 1.0
   70    75    78    83  -0.07550 -1.0 2.0
   70    75    78    83   0.20000  1.0 3.0
   71    70    75    76   0.15000  1.0 3.0
   71    70    75    77   0.15000  1.0 3.0
   71    70    75    78   0.15000  1.0 3.0
   72    70    75    76   0.15000  1.0 3.0
   72    70    75    77   0.15000  1.0 3.0
   72    70    75    78   0.15000  1.0 3.0
   75    78    79    80   0.15000  1.0 3.0
   75    78    79    81   0.15000  1.0 3.0
   75    78    79    82   0.15000  1.0 3.0
   75    78    83    84   0.15000  1.0 3.0
   75    78    83    85   0.15000  1.0 3.0
   75    78    83    86   0.15000  1.0 3.0
   76    75    78    62   0.15000  1.0 3.0
   76    75    78    79   0.15000  1.0 3.0
   76    75    78    83   0.15000  1.0 3.0
   77    75    78    62   0.15000  1.0 3.0
   77    75    78    79   0.15000  1.0 3.0
   77    75    78    83   0.15000  1.0 3.0
   78    62   -63    64   7.00000 -1.0 2.0
   78    62    63    66   7.00000 -1.0 2.0
   79    78    83    84   0.15000  1.0 3.0
   79    78    83    85   0.15000  1.0 3.0
   79    78    83    86   0.15000  1.0 3.0
   83    78    79    80   0.15000  1.0 3.0
   83    78    79    81   0.15000  1.0 3.0
   83    78    79    82   0.15000  1.0 3.0
   73    64    70    71   0.23400  1.0 3.0
   73    64    70    72   0.23400  1.0 3.0
   73    64    70    75   0.86500  1.0 1.0
   73    64    70    75  -0.17500 -1.0 2.0
   73    64    70    75   0.20800  1.0 3.0
   66    63    64    65   0.34800  1.0 3.0
   66    63    64    70   0.46850  1.0 1.0
   66    63    64    70   0.08550 -1.0 2.0
   66    63    64    70   0.09800  1.0 3.0
   66    63    64    73   0.18000  1.0 1.0
   66    63    64    73   0.16450 -1.0 2.0
   66    63    64    73   0.04450  1.0 3.0
   56    53    54    55   0.00000  1.0 1.0
   56    53    54    60  -0.18600  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    46   0.09850  1.0 1.0
   39    33    37    46   0.15250 -1.0 2.0
   39    33    37    46  -0.50650  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    48  -1.63150  1.0 1.0
   39    33    43    48  -0.43550 -1.0 2.0
   39    33    43    48   0.24500  1.0 3.0
   43    33    37    38   0.00000  1.0 1.0
   43    33    37    46   0.09850  1.0 1.0
   43    33    37    46   0.15250 -1.0 2.0
   43    33    37    46  -0.50650  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    50   0.00000  1.0 1.0
   45    43    48    49   0.00000  1.0 1.0
   45    43    48    50   0.00000  1.0 1.0
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    46  15.00000 -1.0 2.0
   51    47    46    37  15.00000 -1.0 2.0
   46    52    51    53  15.00000 -1.0 2.0
   54    56    53    51  15.00000 -1.0 2.0
   53    55    54    60  15.00000 -1.0 2.0
   62    61    60    54  15.00000 -1.0 2.0
   60    78    62    63   1.10000 -1.0 2.0
   64    66    63    62   1.10000 -1.0 2.0
   49    43    48    50  10.50000 -1.0 2.0
END
