* LIGAND DATABASE FILE (OPLS2005)
*
001      95    97    173    256     489
    1     0 S   NP   _N1_     1    29.07477    94.90759   -18.92303
    2     1 S   H    _HN1     2     1.02789    73.07127   -93.72179
    3     1 S   H    _H1_     3     1.02865    93.86317    14.15781
    4     1 S   H    _H2_     4     1.02961    43.87640   125.23047
    5     1 S   CT   _CA1     5     1.50522   149.85249   161.28504
    6     5 S   HC   _HA1     6     1.09693   104.66835    37.69745
    7     5 S   CO3  _C1_     7     1.54433   110.83911   -78.13425
    8     7 S   O2Z  _O11     8     1.26065   116.77177  -118.82186
    9     7 S   O2Z  _O12     9     1.26556   113.64532    60.11821
   10     5 S   CT   _CB1    10     1.53040   106.98363   153.71882
   11    10 S   HC   HB11    11     1.09828   109.98143   -43.29264
   12    10 S   HC   HB12    12     1.09793   110.13335    73.38212
   13    10 S   CT   _CG1    13     1.52982   112.33474  -164.00367
   14    13 S   HC   HG11    14     1.09437   110.58151   -55.16086
   15    13 S   HC   HG12    15     1.09613   110.12750    63.93501
   16    13 S   C    _CD1    16     1.51675   112.00116  -175.91198
   17    16 S   O    _OE1    17     1.22736   123.17738   -14.45216
   18    16 S   N    _N2_    18     1.38536   111.69780   165.95208
   19    18 S   H    _HN2    19     1.01553   119.13361     2.18077
   20    18 S   CT1  _CA2    20     1.46120   123.40470  -175.38425
   21    20 S   HC   _HA2    21     1.09693   109.41801   -12.46239
   22    20 S   C    _C2_    22     1.53398   108.48636  -128.81040
   23    22 S   O    _O2_    23     1.23033   122.07777  -148.77998
   24    20 S   CT   _CB2    32     1.53779   111.33190   109.51505
   25    24 S   HC   HB21    33     1.09344   108.54570    61.56827
   26    24 S   HC   HB22    34     1.09386   109.86428   179.88636
   27    22 S   N    _N3_    24     1.38449   113.58329    38.18521
   28    27 S   H    _HN3    25     1.01533   118.87627     0.12195
   29    24 S   S    _SG2    35     1.82951   111.57244   -59.15343
   30    27 S   CT   _CA3    26     1.45416   123.43589   176.01032
   31    30 S   HC   HA31    27     1.09527   109.19403    25.09884
   32    30 S   HC   HA32    28     1.09498   107.11805   142.03837
   33    29 S   CT   _C5_    36     1.87567   102.96766   177.66133
   34    30 S   CO3  _C3_    29     1.52894   113.11745   -98.38891
   35    34 S   O2Z  _O31    30     1.26398   115.38701   -45.55720
   36    34 S   O2Z  _O32    31     1.26350   114.98539   135.38689
   37    33 S   CT   _C6_    37     1.55146   113.31507   -45.84885
   38    37 S   HC   _H9_    38     1.09486   111.10772    64.58892
   39    37 S   HC   _H10    39     1.09650   109.96800  -179.22242
   40    33 S   CT   _C4_    92     1.53870   106.43354    74.31130
   41    40 S   HC   _H6_    93     1.09618   111.80635    60.37866
   42    40 S   HC   _H7_    94     1.09506   112.19279   -61.20633
   43    40 S   HC   _H8_    95     1.09477   111.00283  -179.65395
   44    37 S   S    _S1_    40     1.82957   114.86354   -58.13710
   45    44 S   C4T  _C7_    41     1.81799    96.47006   -58.97190
   46    45 S   HC   _H3_    42     1.09478   113.83884   -78.17473
   47    45 S   C4T  _C8_    43     1.55372   117.63454   145.70154
   48    47 S   HC   _H4_    44     1.09752   113.43044   138.36832
   49    45 S   N4   _N4_    47     1.45642   109.22629    48.95905
   50    47 S   C4   _C9_    45     1.55140    85.30920  -110.03878
   51    50 S   O    _O33    46     1.20898   136.67344   178.39575
   52    33 S   CT1  _C10    48     1.56075   105.56650  -167.42297
   53    52 S   HC   _H5_    49     1.09886   111.15493   -41.63711
   54    47 S   N    _N5_    72     1.47695   119.06771     5.50100
   55    54 S   H    _H22    73     1.02128   119.84756  -107.47423
   56    52 S   CO4  _C11    50     1.52685   113.96808  -162.31862
   57    56 S   O    _O34    51     1.22388   125.26316   -81.02818
   58    54 S   C    _C18    74     1.38033   122.18108    76.40435
   59    58 S   O    _O38    75     1.22140   128.07116    -2.40436
   60    56 S   OS   _O35    52     1.36592   109.39116    97.60147
   61    58 S   CD   _C19    76     1.50616   113.24982   177.48768
   62    60 S   CO   _C12    53     1.43583   116.07548  -179.83929
   63    62 S   HC   _H11    54     1.09599   109.61027   -53.94239
   64    62 S   HC   _H12    55     1.09597   108.34254  -170.30028
   65    61 S   C5B  _C21    77     1.45299   120.14806    82.49646
   66    61 S   NI   _N6_    86     1.29813   121.46948   -97.65516
   67    62 S   OS   _O36    56     1.43534   113.64995    67.36899
   68    65 S   C5A  _C22    78     1.38216   125.44772  -177.10673
   69    68 S   HA   _H26    79     1.08120   128.75489    -0.18345
   70    66 S   OS   _O39    87     1.40174   111.44477     0.74019
   71    67 S   CO4  _C13    57     1.36461   116.26250    69.05909
   72    71 S   O    _O37    58     1.22484   124.98510     1.17036
   73    68 S   SA   _S2_    80     1.71133   110.19617   179.49332
   74    70 S   CT   _C20    88     1.41948   108.11138   176.27269
   75    74 S   HC   _H23    89     1.09315   108.46495   179.72517
   76    74 S   HC   _H24    90     1.09443   110.35944    60.70500
   77    74 S   HC   _H25    91     1.09428   110.35993   -61.27933
   78    71 S   CT   _C14    59     1.53175   110.54978  -179.63523
   79    73 S   CRA  _C23    81     1.72210    89.89823     0.04846
   80    78 S   CT   _C15    60     1.53561   110.25171    52.44158
   81    80 S   HC   _H13    61     1.09578   111.17992   176.37399
   82    80 S   HC   _H14    62     1.09580   111.75917   -63.62364
   83    80 S   HC   _H15    63     1.09572   111.11250    56.13874
   84    78 S   CT   _C16    64     1.53704   109.39484   171.94119
   85    84 S   HC   _H16    65     1.09577   111.30404  -179.70064
   86    84 S   HC   _H17    66     1.09622   111.33184    60.15782
   87    84 S   HC   _H18    67     1.09631   111.15715   -59.45772
   88    78 S   CT   _C17    68     1.53366   108.85841   -68.71883
   89    88 S   HC   _H19    69     1.09564   111.25159  -177.30899
   90    88 S   HC   _H20    70     1.09613   111.08422   -56.98110
   91    88 S   HC   _H21    71     1.09592   111.48983    62.47501
   92    65 S   N5B  _N7_    82     1.38699   120.26590     2.34385
   93    79 S   NE   _N8_    83     1.34660   120.47967  -179.40653
   94    93 S   H    _H27    84     1.01451   121.40508  -178.69329
   95    93 S   H    _H28    85     1.01444   122.11406    -0.89219
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  16   2   1   1  14   5   4   8   3   2   1   8  12   6  10   6
   8   7   2   5   3   6   3   6   2   7   3   5   9   6   3   2
   8   7   6   5   3   4  14   4   5   3   2   1   1  12   4  11
   4   3   2   7   3   2   1   3   2   1   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    52    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    49    52    53    56    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    50    49    52    53    56    57    60    40    41    42    43  
   35    36  
   36  
    0  
   38    39    44    45    46    47    49    52    53    56    40    41    42    43  
   39    44    45    52    40  
   44    45    52    40  
   41    42    43    44    49    52    53    56  
   42    43    52  
   43    52  
   52  
   45    46    47    48    50    49    52    54  
   46    47    48    50    51    49    52    53    56    54    55    58  
   47    48    50    49    52    54  
   48    50    51    49    52    54    55    58    59    61  
   50    51    49    54    55    58  
   52    53    56    57    60    54    50    51  
   51    52    53    56    54    55    58  
   52    54  
   53    56    57    60    62  
   56    57    60  
   55    58    59    61    65    66  
   58    59    61  
   57    60    62    63    64    67  
   60    62  
   59    61    65    68    92    66    70  
   61    65    66  
   62    63    64    67    71  
   65    68    69    73    79    92    66    70    74  
   63    64    67    71    72    78  
   64    67    71  
   67    71  
   68    69    73    79    92    93    66    70  
   70    74    75    76    77    68    92  
   71    72    78    80    84    88  
   69    73    79    92    93  
   73    79    92  
   74    75    76    77  
   72    78    80    81    82    83    84    85    86    87    88    89    90    91  
   78    80    84    88  
   79    92    93    94    95  
   75    76    77  
   76    77  
   77  
    0  
   80    81    82    83    84    85    86    87    88    89    90    91  
   92    93    94    95  
   81    82    83    84    85    86    87    88    89    90    91  
   82    83    84    88  
   83    84    88  
   84    88  
   85    86    87    88    89    90    91  
   86    87    88  
   87    88  
   88  
   89    90    91  
   90    91  
   91  
    0  
   93    94    95  
   94    95  
   95  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   45   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   50   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   52   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   55   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   60   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   61   3.7500   0.1050   0.389700   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5000   0.0660   0.142800   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   64   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
   66   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   67   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   70   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   71   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   74   3.5000   0.0660   0.042500   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700   0.500900   2.0020   1.7750   0.001000000  -0.843144165
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   93   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   94   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   95   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    52   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   222.000  1.810
   44    45   200.000  1.824
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    49   305.000  1.456
   47    48   340.000  1.090
   47    50   250.000  1.540
   47    54   337.000  1.449
   50    51   930.000  1.212
   50    49   440.000  1.369
   49    52   337.000  1.449
   52    53   340.000  1.090
   52    56   255.000  1.522
   56    57   570.000  1.229
   56    60   214.000  1.327
   60    62   320.000  1.380
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   320.000  1.380
   67    71   214.000  1.327
   71    72   570.000  1.229
   71    78   317.000  1.522
   78    80   268.000  1.529
   78    84   268.000  1.529
   78    88   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   54    55   434.000  1.010
   54    58   490.000  1.335
   58    59   570.000  1.229
   58    61   270.000  1.486
   61    65   305.000  1.466
   61    66   500.000  1.261
   65    68   520.000  1.370
   65    92   410.000  1.394
   68    69   367.000  1.080
   68    73   265.000  1.745
   73    79   250.000  1.765
   79    92   488.000  1.335
   79    93   420.000  1.385
   93    94   434.000  1.010
   93    95   434.000  1.010
   66    70   320.000  1.394
   70    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    52    75.00000  108.68000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    75.00000  111.63000
   33    52    49    80.00000  109.70000
   33    52    53    37.50000  110.70000
   33    52    56    70.00000  110.61500
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    45    85.00000   99.86700
   39    37    38    33.00000  107.80000
   44    37    38    35.00000  109.50000
   44    37    39    35.00000  109.50000
   44    45    46    45.00000  109.41400
   44    45    47    65.00000  119.05700
   44    45    49    80.00000  108.62000
   45    47    48    37.50000  110.70000
   45    47    50   100.00000   86.36000
   45    47    54    80.00000  110.05700
   45    49    50   100.00000   93.00000
   45    49    52    50.00000  132.70000
   47    45    46    37.50000  110.70000
   47    50    51    60.00000  136.58000
   47    50    49    95.00000   92.72400
   47    54    55    38.00000  118.40000
   47    54    58    50.00000  121.90000
   50    47    48    40.00000  113.37500
   50    49    52    50.00000  132.10000
   49    45    46    50.00000  112.01000
   49    45    47   105.00000   87.49700
   49    50    51    75.00000  131.60000
   49    52    53    35.00000  109.50000
   49    52    56    80.00000  110.29000
   52    33    37    58.35000  112.70000
   52    56    57    75.00000  123.42600
   52    56    60    90.00000  109.72300
   56    52    53    45.00000  110.09800
   56    60    62    95.00000  111.08000
   60    56    57    83.00000  123.40000
   60    62    63    35.00000  109.50000
   60    62    64    35.00000  109.50000
   60    62    67    92.60000  111.55000
   62    67    71    95.00000  111.08000
   64    62    63    33.00000  109.50000
   67    62    63    35.00000  109.50000
   67    62    64    35.00000  109.50000
   67    71    72    83.00000  123.40000
   67    71    78    81.00000  111.40000
   71    78    80    63.00000  111.10000
   71    78    84    63.00000  111.10000
   71    78    88    63.00000  111.10000
   78    71    72    80.00000  120.40000
   78    80    81    37.50000  110.70000
   78    80    82    37.50000  110.70000
   78    80    83    37.50000  110.70000
   78    84    85    37.50000  110.70000
   78    84    86    37.50000  110.70000
   78    84    87    37.50000  110.70000
   78    88    89    37.50000  110.70000
   78    88    90    37.50000  110.70000
   78    88    91    37.50000  110.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   84    78    80    58.35000  112.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   88    78    80    58.35000  112.70000
   88    78    84    58.35000  112.70000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   54    47    48    50.00000  112.01000
   54    47    50    75.00000  110.24000
   54    58    59    80.00000  122.90000
   54    58    61    75.00000  109.57000
   58    54    55    35.00000  119.80000
   58    61    65    75.00000  114.44000
   58    61    66    65.00000  123.79500
   61    58    59    80.00000  120.45000
   61    65    68    60.00000  121.09900
   61    65    92    60.00000  126.00000
   61    66    70   100.00000  109.52600
   65    68    69    35.00000  130.70000
   65    68    73    80.00000  111.29200
   65    92    79    70.00000  110.00000
   68    73    79   120.00000   89.04400
   73    68    69    40.00000  122.38200
   73    79    92    80.00000  114.57700
   73    79    93    70.00000  122.29500
   79    93    94    35.00000  113.50000
   79    93    95    35.00000  113.50000
   92    65    68    70.00000  111.00000
   93    79    92    75.00000  125.31200
   95    93    94    35.00000  109.00000
   66    61    65    65.00000  124.33800
   66    70    74   110.00000  106.71400
   70    74    75    35.00000  109.50000
   70    74    76    35.00000  109.50000
   70    74    77    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    52    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    44   0.56750  1.0 1.0
   29    33    37    44  -0.07550 -1.0 2.0
   29    33    37    44   0.20000  1.0 3.0
   29    33    52    49   0.71400  1.0 1.0
   29    33    52    49   0.04300 -1.0 2.0
   29    33    52    49   0.01450  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    56  -2.17200  1.0 1.0
   29    33    52    56  -0.85700 -1.0 2.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    37    44    45  -0.25000 -1.0 2.0
   33    37    44    45  -0.01800  1.0 3.0
   33    52    56    57   0.00000  1.0 1.0
   33    52    56    60   0.36750  1.0 3.0
   37    33    52    49   0.42250  1.0 1.0
   37    33    52    49  -0.48100 -1.0 2.0
   37    33    52    49   0.35650  1.0 3.0
   37    33    52    53   0.15000  1.0 3.0
   37    33    52    56  -0.84850  1.0 1.0
   37    33    52    56  -0.22800 -1.0 2.0
   37    33    52    56   0.29250  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    43   0.15000  1.0 3.0
   37    44    45    46   0.00000  1.0 1.0
   37    44    45    47   0.25150  1.0 1.0
   37    44    45    47  -1.17200 -1.0 2.0
   37    44    45    47   0.53050  1.0 3.0
   37    44   -45    49   0.01700  1.0 1.0
   37    44   -45    49  -0.23550 -1.0 2.0
   37    44   -45    49   0.21350  1.0 3.0
   38    37    44    45   0.32350  1.0 3.0
   39    37    44    45   0.32350  1.0 3.0
   44    45    47    48   0.00000  1.0 1.0
   44    45    47    50   0.00000  1.0 1.0
   44    45    47    54   0.00000  1.0 1.0
   44    45   -49    50   0.00000  1.0 1.0
   44    45    49    52   0.00000  1.0 1.0
   45    47    50    51  -0.11250  1.0 1.0
   45    47    50    51   0.11400 -1.0 2.0
   45    47    50    51  -0.28950  1.0 3.0
   45    47   -50    49   3.00000 -1.0 2.0
   45    47    54    55   0.00000  1.0 1.0
   45    47    54    58  -0.43950  1.0 1.0
   45    47    54    58  -0.08100 -1.0 2.0
   45    47    54    58   0.03350  1.0 3.0
   45    49   -52    33   0.00000  1.0 1.0
   45    49    52    53   0.00000  1.0 1.0
   45    49    52    56   0.00000  1.0 1.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    50   0.15000  1.0 3.0
   46    45    47    54   0.15000  1.0 3.0
   46    45   -49    50   0.00000  1.0 1.0
   46    45    49    52   0.00000  1.0 1.0
   47    45   -49    50   0.00000  1.0 1.0
   47    45    49    52   0.00000  1.0 1.0
   47    50   -49    45   3.00000 -1.0 2.0
   47    50   -49    52   3.00000 -1.0 2.0
   47    54    58    59   3.04450 -1.0 2.0
   47    54    58    61   1.49850  1.0 1.0
   47    54    58    61   1.53950 -1.0 2.0
   48    47    50    51   0.00000  1.0 1.0
   48    47    50    49   0.00000  1.0 1.0
   48    47    54    55   0.00000  1.0 1.0
   48    47    54    58   0.00000  1.0 1.0
   50    47    54    55   0.00000  1.0 1.0
   50    47    54    58  -0.42300  1.0 1.0
   50    47    54    58  -0.07000 -1.0 2.0
   50    47    54    58   0.04150  1.0 3.0
   50    49    52    33   0.00000  1.0 1.0
   50    49    52    53   0.00000  1.0 1.0
   50    49    52    56   0.00000  1.0 1.0
   51    50   -49    45   3.00000 -1.0 2.0
   51    50    49    52   3.00000 -1.0 2.0
   49    45   -47    48   0.15000  1.0 3.0
   49    45   -47    50   3.00000 -1.0 2.0
   49    45    47    54   2.20050  1.0 1.0
   49    45    47    54   0.63450 -1.0 2.0
   49    45    47    54  -0.91300  1.0 3.0
   49    52    56    57   0.00000  1.0 1.0
   49    52    56    60   0.40000  1.0 3.0
   52    33    37    38   0.15000  1.0 3.0
   52    33    37    39   0.15000  1.0 3.0
   52    33   -37    44   0.44750  1.0 1.0
   52    33   -37    44  -0.17800 -1.0 2.0
   52    33   -37    44   0.20200  1.0 3.0
   52    33    40    41   0.15000  1.0 3.0
   52    33    40    42   0.15000  1.0 3.0
   52    33    40    43   0.15000  1.0 3.0
   52    56    60    62   1.63150  1.0 1.0
   52    56    60    62   2.92000 -1.0 2.0
   53    52    56    57   0.00000  1.0 1.0
   53    52    56    60   0.00000  1.0 1.0
   56    60    62    63   0.08050  1.0 3.0
   56    60    62    64   0.08050  1.0 3.0
   56    60    62    67  -1.83450  1.0 1.0
   56    60    62    67  -0.02700 -1.0 2.0
   56    60    62    67  -0.20100  1.0 3.0
   57    56    60    62   3.00000 -1.0 2.0
   60    62    67    71  -1.83450  1.0 1.0
   60    62    67    71  -0.02700 -1.0 2.0
   60    62    67    71  -0.20100  1.0 3.0
   62    67    71    72   3.00000 -1.0 2.0
   62    67    71    78   1.63150  1.0 1.0
   62    67    71    78   2.92000 -1.0 2.0
   63    62    67    71   0.08050  1.0 3.0
   64    62    67    71   0.08050  1.0 3.0
   67    71    78    80   0.36750  1.0 3.0
   67    71    78    84   0.36750  1.0 3.0
   67    71    78    88   0.36750  1.0 3.0
   71    78    80    81  -0.11250  1.0 3.0
   71    78    80    82  -0.11250  1.0 3.0
   71    78    80    83  -0.11250  1.0 3.0
   71    78    84    85  -0.11250  1.0 3.0
   71    78    84    86  -0.11250  1.0 3.0
   71    78    84    87  -0.11250  1.0 3.0
   71    78    88    89  -0.11250  1.0 3.0
   71    78    88    90  -0.11250  1.0 3.0
   71    78    88    91  -0.11250  1.0 3.0
   72    71    78    80   0.30150 -1.0 2.0
   72    71    78    84   0.30150 -1.0 2.0
   72    71    78    88   0.30150 -1.0 2.0
   80    78    84    85   0.15000  1.0 3.0
   80    78    84    86   0.15000  1.0 3.0
   80    78    84    87   0.15000  1.0 3.0
   80    78    88    89   0.15000  1.0 3.0
   80    78    88    90   0.15000  1.0 3.0
   80    78    88    91   0.15000  1.0 3.0
   84    78    80    81   0.15000  1.0 3.0
   84    78    80    82   0.15000  1.0 3.0
   84    78    80    83   0.15000  1.0 3.0
   84    78    88    89   0.15000  1.0 3.0
   84    78    88    90   0.15000  1.0 3.0
   84    78    88    91   0.15000  1.0 3.0
   88    78    80    81   0.15000  1.0 3.0
   88    78    80    82   0.15000  1.0 3.0
   88    78    80    83   0.15000  1.0 3.0
   88    78    84    85   0.15000  1.0 3.0
   88    78    84    86   0.15000  1.0 3.0
   88    78    84    87   0.15000  1.0 3.0
   54    47    50    51   0.30150 -1.0 2.0
   54    47   -50    49   0.00000  1.0 1.0
   54    58    61    65   1.50000 -1.0 2.0
   54    58    61    66   1.50000 -1.0 2.0
   55    54    58    59   2.45000 -1.0 2.0
   55    54    58    61   2.56700 -1.0 2.0
   58    61    65    68   0.30050 -1.0 2.0
   58    61    65    68   0.16600  1.0 3.0
   58    61    65    92   0.30050 -1.0 2.0
   58    61    65    92   0.16600  1.0 3.0
   58    61    66    70   6.00000 -1.0 2.0
   59    58    61    65   1.00000 -1.0 2.0
   59    58    61    66   1.00000 -1.0 2.0
   61    65    68    69   3.62500 -1.0 2.0
   61    65    68    73   3.62500 -1.0 2.0
   61    65    92    79   3.62500 -1.0 2.0
   61    66    70    74   1.50000 -1.0 2.0
   65    61    66    70   6.00000 -1.0 2.0
   65    68   -73    79   3.62500 -1.0 2.0
   68    65   -92    79   2.40000 -1.0 2.0
   68    73   -79    92   3.62500 -1.0 2.0
   68    73    79    93   3.62500 -1.0 2.0
   69    68    73    79   3.62500 -1.0 2.0
   73    79   -92    65   3.62500 -1.0 2.0
   73    79    93    94   0.47600 -1.0 2.0
   73    79    93    95   0.47600 -1.0 2.0
   92    65    68    69   3.62500 -1.0 2.0
   92    65   -68    73   3.62500 -1.0 2.0
   92    79    93    94   1.75000 -1.0 2.0
   92    79    93    95   1.75000 -1.0 2.0
   93    79    92    65   3.62500 -1.0 2.0
   66    61    65    68   1.02250 -1.0 2.0
   66    61    65    92   1.02250 -1.0 2.0
   66    70    74    75   0.37500  1.0 3.0
   66    70    74    76   0.37500  1.0 3.0
   66    70    74    77   0.37500  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    44   0.44750  1.0 1.0
   40    33    37    44  -0.17800 -1.0 2.0
   40    33    37    44   0.20200  1.0 3.0
   40    33    52    49   0.42250  1.0 1.0
   40    33    52    49  -0.48100 -1.0 2.0
   40    33    52    49   0.35650  1.0 3.0
   40    33    52    53   0.15000  1.0 3.0
   40    33    52    56  -0.84850  1.0 1.0
   40    33    52    56  -0.22800 -1.0 2.0
   40    33    52    56   0.29250  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   47    49    50    51  10.50000 -1.0 2.0
   52    50    49    45   1.00000 -1.0 2.0
   52    60    56    57  10.50000 -1.0 2.0
   67    78    71    72  10.50000 -1.0 2.0
   55    58    54    47   1.00000 -1.0 2.0
   54    61    58    59  10.50000 -1.0 2.0
   58    65    61    66  10.50000 -1.0 2.0
   68    92    65    61   4.00000 -1.0 2.0
   73    69    68    65   1.10000 -1.0 2.0
   92    93    79    73   4.00000 -1.0 2.0
   95    79    93    94   1.00000 -1.0 2.0
END
