* LIGAND DATABASE FILE (OPLS2005)
*
001      84    85    160    238     469
    1     0 S   NP   _N1_     1    28.75355    94.91253   -24.28993
    2     1 S   H    _HN1     2     1.02783   108.51270   -93.66238
    3     1 S   H    _H1_     3     1.02951    80.16228    12.55066
    4     1 S   H    _H2_     4     1.02827    28.60157   172.72624
    5     1 S   CT   _CA1     5     1.50145   131.14510   121.07724
    6     5 S   HC   _HA1     6     1.09566   105.19324    82.98382
    7     5 S   CO3  _C1_     7     1.53806   112.36276   -37.28664
    8     7 S   O2Z  _O11     8     1.26378   114.97061   -42.45214
    9     7 S   O2Z  _O12     9     1.26222   114.97681   136.46813
   10     5 S   CT   _CB1    10     1.53053   107.39611  -158.95547
   11    10 S   HC   HB11    11     1.09833   109.48016   -48.37000
   12    10 S   HC   HB12    12     1.09819   110.40154    68.27613
   13    10 S   CT   _CG1    13     1.52991   112.60875  -169.29770
   14    13 S   HC   HG11    14     1.09590   110.60201   -64.29065
   15    13 S   HC   HG12    15     1.09658   109.85712    54.99294
   16    13 S   C    _CD1    16     1.51797   112.12592   175.50508
   17    16 S   O    _OE1    17     1.22752   123.22911     6.02129
   18    16 S   N    _N2_    18     1.38625   111.72784  -174.28324
   19    18 S   H    _HN2    19     1.01575   119.11347     2.10766
   20    18 S   CT1  _CA2    20     1.46266   123.38481  -179.12508
   21    20 S   HC   _HA2    21     1.09742   109.19319     3.93423
   22    20 S   C    _C2_    22     1.53505   109.28974  -111.80163
   23    22 S   O    _O2_    23     1.23086   122.18106  -151.12906
   24    20 S   CT   _CB2    32     1.53522   111.39059   125.52431
   25    24 S   HC   HB21    33     1.09483   109.43672    60.03536
   26    24 S   HC   HB22    34     1.09455   109.85272   178.87256
   27    22 S   N    _N3_    24     1.38310   113.85693    36.43659
   28    27 S   H    _HN3    25     1.01580   119.52911    -3.64835
   29    24 S   S    _SG2    35     1.83147   110.68091   -61.53439
   30    27 S   CT   _CA3    26     1.45272   123.18363   177.00108
   31    30 S   HC   HA31    27     1.09551   107.53340   -63.93305
   32    30 S   HC   HA32    28     1.09559   107.94627    52.47971
   33    29 S   CT   _C15    36     1.86210   102.57546   167.68301
   34    33 S   OM   _O35    37     1.32131   109.93982   -60.43453
   35    30 S   CO3  _C3_    29     1.52946   114.13506   174.48083
   36    35 S   O2Z  _O31    30     1.26370   116.09648    -0.03426
   37    35 S   O2Z  _O32    31     1.26434   114.39824  -180.00000
   38    33 S   CT   _C14    38     1.55559   110.88937    58.96126
   39    38 S   HC   _H20    39     1.09535   109.56367   -60.63523
   40    38 S   HC   _H21    40     1.10208   109.71055  -175.35877
   41    38 S   CT   _C13    41     1.55151   114.26108    63.80648
   42    41 S   HC   _H4_    42     1.09765   108.54157   -62.68527
   43    41 S   CT   _C12    43     1.53770   109.46990    54.70875
   44    43 S   HC   _H18    44     1.09531   110.16839  -167.73542
   45    43 S   HC   _H19    45     1.09611   110.91010    72.64025
   46    41 S   CT   _C16    70     1.57339   111.76247   179.34538
   47    46 S   HC   _H5_    71     1.09934   107.54364   -56.95684
   48    43 S   CO4  _C11    46     1.51473   113.28393   -48.39104
   49    48 S   O    _O34    47     1.23122   120.37907  -136.27909
   50    46 S   CT   _C17    72     1.54615   111.41636  -174.81756
   51    50 S   HC   _H22    73     1.09512   110.01000    59.85659
   52    50 S   HC   _H23    74     1.09750   109.56123   -57.35309
   53    33 S   CT   _C10    48     1.55987   110.56342   179.67979
   54    53 S   HC   _H3_    49     1.10325   108.50609   179.44433
   55    50 S   CT   _C18    75     1.52795   114.38764   179.50386
   56    55 S   HC   _H24    76     1.09704   108.42022  -178.71306
   57    55 S   HC   _H25    77     1.09764   109.69343   -63.14246
   58    53 S   CD   _C7_    50     1.54604   115.36442    61.91146
   59    55 S   CT   _C19    78     1.51785   113.37442    60.70255
   60    59 S   HC   _H26    79     1.09503   111.08335    59.04766
   61    59 S   HC   _H27    80     1.09456   109.90584   177.86953
   62    58 S   CT   _C6_    51     1.52433   116.89376   108.17486
   63    62 S   HC   _H11    52     1.09494   110.24289  -146.94365
   64    62 S   HC   _H12    53     1.09566   108.95710   -30.53384
   65    58 S   NI   _N4_    61     1.30030   119.30471   -73.47657
   66    59 S   S    _S1_    81     1.80733   110.65093   -62.53337
   67    62 S   CT   _C5_    54     1.52557   110.05623    90.35487
   68    67 S   HC   _H9_    55     1.09655   109.97679   -58.21474
   69    67 S   HC   _H10    56     1.09639   110.09602    58.89238
   70    65 S   OS   _O33    62     1.39895   111.91561  -179.22924
   71    46 S   CT   _C20    82     1.54271   110.91393    61.33168
   72    71 S   HC   _H28    83     1.09176   111.15626   -59.63288
   73    71 S   HC   _H29    84     1.09570   110.68470    59.52375
   74    67 S   CT   _C4_    57     1.51949   111.49470  -179.63363
   75    74 S   HC   _H6_    58     1.09469   110.98468   -60.31752
   76    74 S   HC   _H7_    59     1.09447   110.27087   179.94766
   77    74 S   HC   _H8_    60     1.09468   110.99669    60.20781
   78    70 S   CT   _C8_    63     1.42394   108.13184  -175.32806
   79    78 S   HC   _H13    64     1.09576   109.59391   -59.29698
   80    78 S   HC   _H14    65     1.09600   109.62838    60.50122
   81    78 S   CT   _C9_    66     1.51509   108.45270  -179.35411
   82    81 S   HC   _H15    67     1.09506   110.59093   -60.09449
   83    81 S   HC   _H16    68     1.09502   110.63690    58.17610
   84    81 S   HC   _H17    69     1.09341   110.91168   179.03389
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  15   8   2   1   1  15   6   5  17   8  11   5   4  13   8   6
   3  12   6   5   8   3   7   5   4  10   6   3   2  11   6   5
   6   3   6   5   4   7   2   1   1   3   2   1   1   6   5   4
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    48    53    54    58  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    48    49    53    54    58    62    65    46  
   38    39    40    41    48    53    54    58  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    48    53    54    58    46    47    50    71  
   40    41    42    43    53    46  
   41    42    43    53    46  
   42    43    44    45    48    49    53    46    47    50    51    52    55    66    71    72    73  
   43    44    45    48    46    47    50    71  
   44    45    48    49    53    54    58    46    47    50    71  
   45    48    49    53    46  
   48    49    53    46  
   47    50    51    52    55    56    57    59    66    71    72    73    48  
   50    51    52    55    66    71    72    73  
   49    53    54    58    62    65  
   53    54    58  
   51    52    55    56    57    59    60    61    66    71    72    73  
   52    55    56    57    59    71  
   55    56    57    59    71  
   54    58    62    63    64    67    65    70  
   58    62    65  
   56    57    59    60    61    66    71  
   57    59    60    61    66  
   59    60    61    66  
   62    63    64    67    68    69    74    65    70    78  
   60    61    66    71    72    73  
   61    66    71  
   66    71  
   63    64    67    68    69    74    75    76    77    65    70  
   64    67    68    69    74    65  
   67    68    69    74    65  
   70    78    79    80    81    67  
   71    72    73  
   68    69    74    75    76    77  
   69    74    75    76    77  
   74    75    76    77  
   78    79    80    81    82    83    84  
   72    73  
   73  
    0  
   75    76    77  
   76    77  
   77  
    0  
   79    80    81    82    83    84  
   80    81    82    83    84  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.023900   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.7500   0.1050   0.317500   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.083900   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   66   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   71   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   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   0.102500   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   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   570.000  1.307
   33    38   268.000  1.529
   33    53   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    46   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   317.000  1.522
   48    49   570.000  1.229
   48    53   317.000  1.522
   53    54   340.000  1.090
   53    58   270.000  1.508
   58    62   270.000  1.508
   58    65   500.000  1.261
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   65    70   320.000  1.394
   70    78   320.000  1.410
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   46    47   340.000  1.090
   46    50   268.000  1.529
   46    71   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    66   222.000  1.810
   66    71   222.000  1.810
   71    72   340.000  1.090
   71    73   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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    53    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    53    48    63.00000  111.10000
   33    53    54    37.50000  110.70000
   33    53    58    70.00000  111.76100
   38    33    34    50.00000  109.50000
   38    41    42    37.50000  110.70000
   38    41    43    58.35000  112.70000
   38    41    46    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    45    37.50000  110.70000
   41    43    48    63.00000  111.10000
   41    46    47    37.50000  110.70000
   41    46    50    58.35000  112.70000
   41    46    71    58.35000  112.70000
   43    41    42    37.50000  110.70000
   43    48    49    80.00000  120.40000
   43    48    53    70.00000  116.00000
   45    43    44    33.00000  107.80000
   48    43    44    35.00000  109.50000
   48    43    45    35.00000  109.50000
   48    53    54    35.00000  109.50000
   48    53    58    70.00000  109.29000
   53    33    34    50.00000  109.50000
   53    33    38    58.35000  112.70000
   53    48    49    80.00000  120.40000
   53    58    62    65.00000  114.98000
   53    58    65    65.00000  122.10100
   58    53    54    45.00000  109.49600
   58    62    63    45.00000  109.49600
   58    62    64    45.00000  109.49600
   58    62    67    70.00000  111.76100
   58    65    70   100.00000  109.52600
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    74    58.35000  112.70000
   64    62    63    33.00000  107.80000
   67    62    63    37.50000  110.70000
   67    62    64    37.50000  110.70000
   67    74    75    37.50000  110.70000
   67    74    76    37.50000  110.70000
   67    74    77    37.50000  110.70000
   69    67    68    33.00000  107.80000
   74    67    68    37.50000  110.70000
   74    67    69    37.50000  110.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   65    58    62    65.00000  122.10100
   65    70    78   110.00000  106.71400
   70    78    79    35.00000  109.50000
   70    78    80    35.00000  109.50000
   70    78    81    50.00000  109.50000
   78    81    82    37.50000  110.70000
   78    81    83    37.50000  110.70000
   78    81    84    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    78    79    37.50000  110.70000
   81    78    80    37.50000  110.70000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   46    41    42    37.50000  110.70000
   46    41    43    58.35000  112.70000
   46    50    51    37.50000  110.70000
   46    50    52    37.50000  110.70000
   46    50    55    58.35000  112.70000
   46    71    66    75.00000  111.63000
   46    71    72    37.50000  110.70000
   46    71    73    37.50000  110.70000
   50    46    47    37.50000  110.70000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    59    58.35000  112.70000
   52    50    51    33.00000  107.80000
   55    50    51    37.50000  110.70000
   55    50    52    37.50000  110.70000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    66    75.00000  111.63000
   57    55    56    33.00000  107.80000
   59    55    56    37.50000  110.70000
   59    55    57    37.50000  110.70000
   59    66    71    62.00000   98.90000
   61    59    60    33.00000  107.80000
   66    59    60    35.00000  109.50000
   66    59    61    35.00000  109.50000
   66    71    72    35.00000  109.50000
   66    71    73    35.00000  109.50000
   71    46    47    37.50000  110.70000
   71    46    50    58.35000  112.70000
   73    71    72    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    53    48   0.56750  1.0 1.0
   29    33    53    48  -0.07550 -1.0 2.0
   29    33    53    48   0.20000  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    58   0.56750  1.0 1.0
   29    33    53    58  -0.07550 -1.0 2.0
   29    33    53    58   0.20000  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.56750  1.0 1.0
   33    38    41    43  -0.07550 -1.0 2.0
   33    38    41    43   0.20000  1.0 3.0
   33    38    41    46   0.56750  1.0 1.0
   33    38    41    46  -0.07550 -1.0 2.0
   33    38    41    46   0.20000  1.0 3.0
   33    53    58    62   0.46850  1.0 1.0
   33    53    58    62   0.08550 -1.0 2.0
   33    53    58    62   0.09800  1.0 3.0
   33    53    58    65   0.00000  1.0 1.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41   0.62750  1.0 1.0
   34    33    38    41  -0.30950 -1.0 2.0
   34    33    38    41   0.27300  1.0 3.0
   34    33    53    48  -0.09450  1.0 1.0
   34    33    53    48  -1.12950 -1.0 2.0
   34    33    53    48   0.54000  1.0 3.0
   34    33    53    54   0.23400  1.0 3.0
   34    33    53    58   0.61850  1.0 1.0
   34    33    53    58  -0.22750 -1.0 2.0
   34    33    53    58   0.15300  1.0 3.0
   38    33    53    48  -0.95700  1.0 1.0
   38    33    53    48  -0.18200 -1.0 2.0
   38    33    53    48   0.29450  1.0 3.0
   38    33    53    54   0.15000  1.0 3.0
   38    33    53    58   0.34400  1.0 1.0
   38    33    53    58   0.09450 -1.0 2.0
   38    33    53    58   0.11100  1.0 3.0
   38    41    43    44   0.15000  1.0 3.0
   38    41    43    45   0.15000  1.0 3.0
   38    41   -43    48  -0.95700  1.0 1.0
   38    41   -43    48  -0.18200 -1.0 2.0
   38    41   -43    48   0.29450  1.0 3.0
   38    41    46    47   0.15000  1.0 3.0
   38    41    46    50   0.56750  1.0 1.0
   38    41    46    50  -0.07550 -1.0 2.0
   38    41    46    50   0.20000  1.0 3.0
   38    41    46    71   0.56750  1.0 1.0
   38    41    46    71  -0.07550 -1.0 2.0
   38    41    46    71   0.20000  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    46   0.15000  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    46   0.15000  1.0 3.0
   41    43    48    49   0.30150 -1.0 2.0
   41    43    48    53   0.60050  1.0 1.0
   41    43    48    53   0.05600 -1.0 2.0
   41    43    48    53   0.26150  1.0 3.0
   41    46    50    51   0.15000  1.0 3.0
   41    46    50    52   0.15000  1.0 3.0
   41    46    50    55   0.56750  1.0 1.0
   41    46    50    55  -0.07550 -1.0 2.0
   41    46    50    55   0.20000  1.0 3.0
   41    46    71    66   0.44750  1.0 1.0
   41    46    71    66  -0.17800 -1.0 2.0
   41    46    71    66   0.20200  1.0 3.0
   41    46    71    72   0.15000  1.0 3.0
   41    46    71    73   0.15000  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    45   0.15000  1.0 3.0
   42    41    43    48  -0.11250  1.0 3.0
   42    41    46    47   0.15000  1.0 3.0
   42    41    46    50   0.15000  1.0 3.0
   42    41    46    71   0.15000  1.0 3.0
   43    41    46    47   0.15000  1.0 3.0
   43    41    46    50   0.56750  1.0 1.0
   43    41    46    50  -0.07550 -1.0 2.0
   43    41    46    50   0.20000  1.0 3.0
   43    41    46    71   0.56750  1.0 1.0
   43    41    46    71  -0.07550 -1.0 2.0
   43    41    46    71   0.20000  1.0 3.0
   43    48   -53    33   0.60050  1.0 1.0
   43    48   -53    33   0.05600 -1.0 2.0
   43    48   -53    33   0.26150  1.0 3.0
   43    48    53    54   0.00000  1.0 1.0
   43    48    53    58   0.65300  1.0 1.0
   43    48    53    58  -0.03850 -1.0 2.0
   43    48    53    58   0.33900  1.0 3.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    53   0.00000  1.0 1.0
   45    43    48    49   0.00000  1.0 1.0
   45    43    48    53   0.00000  1.0 1.0
   48    53    58    62   0.17250  1.0 1.0
   48    53    58    62  -0.04100 -1.0 2.0
   48    53    58    62  -0.33850  1.0 3.0
   48    53    58    65   0.00000  1.0 1.0
   49    48    53    33   0.30150 -1.0 2.0
   49    48    53    54   0.00000  1.0 1.0
   49    48    53    58   0.30150 -1.0 2.0
   53    33    38    39   0.15000  1.0 3.0
   53    33    38    40   0.15000  1.0 3.0
   53    33   -38    41   0.56750  1.0 1.0
   53    33   -38    41  -0.07550 -1.0 2.0
   53    33   -38    41   0.20000  1.0 3.0
   53    58    62    63   0.00000  1.0 1.0
   53    58    62    64   0.00000  1.0 1.0
   53    58    62    67   0.46850  1.0 1.0
   53    58    62    67   0.08550 -1.0 2.0
   53    58    62    67   0.09800  1.0 3.0
   53    58    65    70   6.00000 -1.0 2.0
   54    53    58    62   0.00000  1.0 1.0
   54    53    58    65   0.00000  1.0 1.0
   58    62    67    68   0.15000  1.0 3.0
   58    62    67    69   0.15000  1.0 3.0
   58    62    67    74   0.34400  1.0 1.0
   58    62    67    74   0.09450 -1.0 2.0
   58    62    67    74   0.11100  1.0 3.0
   58    65    70    78   1.50000 -1.0 2.0
   62    58    65    70   6.00000 -1.0 2.0
   62    67    74    75   0.15000  1.0 3.0
   62    67    74    76   0.15000  1.0 3.0
   62    67    74    77   0.15000  1.0 3.0
   63    62    67    68   0.15000  1.0 3.0
   63    62    67    69   0.15000  1.0 3.0
   63    62    67    74   0.15000  1.0 3.0
   64    62    67    68   0.15000  1.0 3.0
   64    62    67    69   0.15000  1.0 3.0
   64    62    67    74   0.15000  1.0 3.0
   68    67    74    75   0.15000  1.0 3.0
   68    67    74    76   0.15000  1.0 3.0
   68    67    74    77   0.15000  1.0 3.0
   69    67    74    75   0.15000  1.0 3.0
   69    67    74    76   0.15000  1.0 3.0
   69    67    74    77   0.15000  1.0 3.0
   65    58    62    63   0.00000  1.0 1.0
   65    58    62    64   0.00000  1.0 1.0
   65    58    62    67   0.00000  1.0 1.0
   65    70    78    79   0.37500  1.0 3.0
   65    70    78    80   0.37500  1.0 3.0
   65    70    78    81   0.37500  1.0 3.0
   70    78    81    82   0.23400  1.0 3.0
   70    78    81    83   0.23400  1.0 3.0
   70    78    81    84   0.23400  1.0 3.0
   79    78    81    82   0.15000  1.0 3.0
   79    78    81    83   0.15000  1.0 3.0
   79    78    81    84   0.15000  1.0 3.0
   80    78    81    82   0.15000  1.0 3.0
   80    78    81    83   0.15000  1.0 3.0
   80    78    81    84   0.15000  1.0 3.0
   46    41    43    44   0.15000  1.0 3.0
   46    41    43    45   0.15000  1.0 3.0
   46    41    43    48  -0.95700  1.0 1.0
   46    41    43    48  -0.18200 -1.0 2.0
   46    41    43    48   0.29450  1.0 3.0
   46    50    55    56   0.15000  1.0 3.0
   46    50    55    57   0.15000  1.0 3.0
   46    50    55    59   0.56750  1.0 1.0
   46    50    55    59  -0.07550 -1.0 2.0
   46    50    55    59   0.20000  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    52   0.15000  1.0 3.0
   47    46    50    55   0.15000  1.0 3.0
   47    46    71    66   0.15000  1.0 3.0
   47    46    71    72   0.15000  1.0 3.0
   47    46    71    73   0.15000  1.0 3.0
   50    46    71    66   0.44750  1.0 1.0
   50    46    71    66  -0.17800 -1.0 2.0
   50    46    71    66   0.20200  1.0 3.0
   50    46    71    72   0.15000  1.0 3.0
   50    46    71    73   0.15000  1.0 3.0
   50    55    59    60   0.15000  1.0 3.0
   50    55    59    61   0.15000  1.0 3.0
   50    55   -59    66   0.44750  1.0 1.0
   50    55   -59    66  -0.17800 -1.0 2.0
   50    55   -59    66   0.20200  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    57   0.15000  1.0 3.0
   51    50    55    59   0.15000  1.0 3.0
   52    50    55    56   0.15000  1.0 3.0
   52    50    55    57   0.15000  1.0 3.0
   52    50    55    59   0.15000  1.0 3.0
   55    59    66    71   0.01700  1.0 1.0
   55    59    66    71  -0.23550 -1.0 2.0
   55    59    66    71   0.21350  1.0 3.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    61   0.15000  1.0 3.0
   56    55    59    66   0.15000  1.0 3.0
   57    55    59    60   0.15000  1.0 3.0
   57    55    59    61   0.15000  1.0 3.0
   57    55    59    66   0.15000  1.0 3.0
   59    66   -71    46   0.01700  1.0 1.0
   59    66   -71    46  -0.23550 -1.0 2.0
   59    66   -71    46   0.21350  1.0 3.0
   59    66    71    72   0.32350  1.0 3.0
   59    66    71    73   0.32350  1.0 3.0
   60    59    66    71   0.32350  1.0 3.0
   61    59    66    71   0.32350  1.0 3.0
   71    46    50    51   0.15000  1.0 3.0
   71    46    50    52   0.15000  1.0 3.0
   71    46   -50    55   0.56750  1.0 1.0
   71    46   -50    55  -0.07550 -1.0 2.0
   71    46   -50    55   0.20000  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
   36    30    35    37  10.50000 -1.0 2.0
   43    53    48    49  10.50000 -1.0 2.0
   53    62    58    65  10.50000 -1.0 2.0
END
