* LIGAND DATABASE FILE (OPLS2005)
*
001      82    83    150    231     449
    1     0 S   NP   _N1_     1    29.04358    96.75328   -26.16308
    2     1 S   H    _HN1     2     1.02946    68.50110     3.32419
    3     1 S   H    _H1_     3     1.02826    38.99457  -168.01133
    4     1 S   H    _H2_     4     1.02799   125.55447   -94.44084
    5     1 S   CT   _CA1     5     1.50136   119.72305   105.25750
    6     5 S   HC   _HA1     6     1.09574   105.14538   101.48809
    7     5 S   CO3  _C1_     7     1.53754   112.48777   -18.71956
    8     7 S   O2Z  _O11     8     1.26381   114.99754   -42.01829
    9     7 S   O2Z  _O12     9     1.26233   114.93712   136.95645
   10     5 S   CT   _CB1    10     1.53048   107.39792  -140.53250
   11    10 S   HC   HB11    11     1.09848   109.30370   -49.11828
   12    10 S   HC   HB12    12     1.09811   110.48319    67.45811
   13    10 S   CT   _CG1    13     1.53050   112.67987  -170.03251
   14    13 S   HC   HG11    14     1.09559   110.80885   -68.53551
   15    13 S   HC   HG12    15     1.09665   109.64535    50.73132
   16    13 S   C    _CD1    16     1.51815   111.76538   171.27256
   17    16 S   O    _OE1    17     1.22776   123.08461    16.64800
   18    16 S   N    _N2_    18     1.38647   111.99553  -163.37508
   19    18 S   H    _HN2    19     1.01579   119.00934     0.61421
   20    18 S   CT1  _CA2    20     1.46205   123.28647   175.55521
   21    20 S   HC   _HA2    21     1.09739   109.26088     8.78038
   22    20 S   C    _C2_    22     1.53714   108.85181  -106.72160
   23    22 S   O    _O2_    23     1.23088   122.19845  -148.63615
   24    20 S   CT   _CB2    32     1.53326   111.79106   130.79026
   25    24 S   HC   HB21    33     1.09589   110.15920    57.00965
   26    24 S   HC   HB22    34     1.09429   109.90606   175.98517
   27    22 S   N    _N3_    24     1.38293   113.91046    38.82120
   28    27 S   H    _HN3    25     1.01532   119.65314    -3.01584
   29    24 S   S    _SG2    35     1.82628   111.69232   -63.82823
   30    27 S   CT   _CA3    26     1.45289   123.34498   177.32168
   31    30 S   HC   HA31    27     1.09546   107.49848   -65.37630
   32    30 S   HC   HA32    28     1.09555   108.02475    51.10346
   33    29 S   CT   _C15    36     1.84171    99.38666   179.16890
   34    33 S   HC   _H11    37     1.09716   108.20446   -39.39640
   35    30 S   CO3  _C3_    29     1.52998   113.99695   173.11975
   36    35 S   O2Z  _O31    30     1.26393   116.07025    -0.28667
   37    35 S   O2Z  _O32    31     1.26422   114.42431   179.76845
   38    33 S   CT   _C16    38     1.53943   110.51469  -158.30017
   39    38 S   HC   _H12    39     1.09846   110.66445   -58.49778
   40    38 S   OS   _O39    40     1.44009   110.30873  -178.42443
   41    38 S   CO3  _C17    80     1.54307   114.32770    63.82800
   42    41 S   O2Z  _O41    81     1.26331   116.17474    34.98607
   43    41 S   O2Z  _O40    82     1.26538   114.46981  -145.92429
   44    40 S   CO   _C12    41     1.43054   114.02918    60.69086
   45    44 S   HC   _H8_    42     1.09451   107.67666  -177.16966
   46    44 S   CT   _C13    43     1.53495   109.17163   -60.38798
   47    46 S   HC   _H9_    44     1.09772   108.07075   -62.18585
   48    44 S   OS   _O38    51     1.42949   113.04061    62.84844
   49    33 S   CT   _C14    45     1.54076   110.72679    78.76862
   50    49 S   HC   _H10    46     1.09560   111.51637   -64.21771
   51    46 S   OH   _O43    49     1.42422   110.23605  -179.22874
   52    51 S   HO   _H23    50     0.97192   107.71145  -174.27810
   53    48 S   CT   _C7_    52     1.42982   114.77653    65.09681
   54    53 S   HC   _H4_    53     1.09834   109.30243   -44.14063
   55    49 S   OH   _O42    47     1.42911   111.14364    54.72540
   56    55 S   HO   _H22    48     0.97308   107.14646   -51.00242
   57    53 S   CT   _C6_    54     1.54167   112.76243    76.70248
   58    57 S   HC   _H3_    55     1.09532   110.11638   -67.99994
   59    57 S   CO   _C10    56     1.53798   109.12316   172.80211
   60    59 S   HC   _H7_    57     1.09755   109.73988    63.53818
   61    57 S   N    _N4_    72     1.46637   110.98952    50.45287
   62    61 S   H    _H16    73     1.01620   116.94945    64.53598
   63    59 S   OS   _O34    58     1.42749   110.75869   -56.96105
   64    59 S   OH   _O35    70     1.42390   109.41884  -178.98413
   65    64 S   HO   _H17    71     0.97178   106.77145  -158.61151
   66    61 S   C    _C5_    74     1.38205   123.72373  -113.07635
   67    66 S   O    _O33    75     1.22770   125.77995    -1.35031
   68    63 S   CT   _C9_    59     1.43448   112.67856    63.12159
   69    68 S   HC   _H6_    60     1.09837   108.63768    58.03600
   70    66 S   CT   _C4_    76     1.50443   112.25643   177.83273
   71    70 S   HC   _H13    77     1.09377   110.26817    49.78406
   72    70 S   HC   _H14    78     1.09346   109.70203   169.46726
   73    70 S   HC   _H15    79     1.09351   109.45374   -70.72700
   74    53 S   CT   _C8_    61     1.53904   107.66639  -160.14796
   75    74 S   HC   _H5_    62     1.09612   109.68524    62.85752
   76    68 S   CT   _C11    65     1.52827   107.36747   175.00562
   77    76 S   HC   _H18    66     1.09544   111.49019    61.96964
   78    76 S   HC   _H19    67     1.09581   109.99009   -56.57565
   79    74 S   OH   _O37    63     1.43094   109.77420   -53.81096
   80    79 S   HO   _H21    64     0.97451   106.47127    52.15893
   81    76 S   OH   _O36    68     1.41914   110.28669  -176.39429
   82    81 S   HO   _H20    69     0.97242   107.06263  -179.17267
  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  12   6  11   4   1   1  13   6   9   6  12
   5   3   2   1  17   8   1   1  15   8  11   5  10   3  11   2
   1   5   4  10   7   3   2   1   1   7   3   5   3   2   1   1
   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    46    49    50    55    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    46    47    49    50    55    56    51    41    42    43  
   38    39    40    46    49    50    55    41  
   36    37  
   37  
    0  
   39    40    44    45    46    49    50    55    48    41    42    43  
   40    44    49    41    42    43  
   44    45    46    47    49    51    48    53    41    42    43  
   42    43    44    49  
   43  
    0  
   45    46    47    49    50    55    51    52    48    53    54    57    74  
   46    47    49    51    48    53  
   47    49    50    55    56    51    52    48    53  
   49    50    55    51    52    48  
   53    54    57    58    59    68    74    75    79    61    49    51  
   50    55    56    51    52  
   55    56    51  
   52    55  
    0  
   54    57    58    59    60    63    68    69    74    75    79    80    76    64    61    62    66  
   57    58    59    68    74    75    79    61  
   56  
    0  
   58    59    60    63    68    74    75    79    64    65    61    62    66    67    70  
   59    60    63    74    64    61    62    66  
   60    63    68    69    74    76    64    65    61    62    66  
   63    68    64    65    61  
   62    66    67    70    71    72    73    63    64    74  
   66    67    70  
   68    69    74    75    79    76    77    78    81    64    65  
   65    68  
    0  
   67    70    71    72    73  
   70    71    72    73  
   69    74    75    79    80    76    77    78    81    82  
   74    75    79    76    77    78    81  
   71    72    73  
   72    73  
   73  
    0  
   75    79    80    76    77    78    81  
   79    80    76  
   77    78    81    82    79  
   78    81    82  
   81    82  
   80  
    0  
   82  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   61   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   62   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   63   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   68   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    49   268.000  1.529
   38    39   340.000  1.090
   38    40   320.000  1.410
   38    41   317.000  1.522
   40    44   320.000  1.380
   44    45   340.000  1.090
   44    46   250.000  1.527
   44    48   320.000  1.380
   46    47   340.000  1.090
   46    49   268.000  1.529
   46    51   320.000  1.410
   49    50   340.000  1.090
   49    55   320.000  1.410
   55    56   553.000  0.945
   51    52   553.000  0.945
   48    53   320.000  1.410
   53    54   340.000  1.090
   53    57   268.000  1.529
   53    74   268.000  1.529
   57    58   340.000  1.090
   57    59   250.000  1.527
   57    61   337.000  1.449
   59    60   340.000  1.090
   59    63   320.000  1.380
   59    64   380.000  1.407
   63    68   320.000  1.410
   68    69   340.000  1.090
   68    74   268.000  1.529
   68    76   268.000  1.529
   74    75   340.000  1.090
   74    79   320.000  1.410
   79    80   553.000  0.945
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    81   320.000  1.410
   81    82   553.000  0.945
   64    65   553.000  0.945
   61    62   434.000  1.010
   61    66   490.000  1.335
   66    67   570.000  1.229
   66    70   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   41    42   656.000  1.250
   41    43   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    49    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    50.00000  109.50000
   33    38    41    70.00000  109.69300
   33    49    46    58.35000  112.70000
   33    49    50    37.50000  110.70000
   33    49    55    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    44    60.00000  109.50000
   38    41    42    70.00000  117.00000
   38    41    43    70.00000  117.00000
   40    38    39    35.00000  109.50000
   40    44    45    35.00000  109.50000
   40    44    46    90.00000  108.56700
   40    44    48    92.60000  111.55000
   44    46    47    45.00000  108.72000
   44    46    49    75.00000  109.43000
   44    46    51    90.00000  111.58700
   44    48    53    60.00000  109.50000
   46    44    45    45.00000  112.01100
   46    49    50    37.50000  110.70000
   46    49    55    50.00000  109.50000
   46    51    52    55.00000  108.50000
   49    33    34    37.50000  110.70000
   49    33    38    58.35000  112.70000
   49    46    47    37.50000  110.70000
   49    55    56    55.00000  108.50000
   55    49    50    35.00000  109.50000
   51    46    47    35.00000  109.50000
   51    46    49    50.00000  109.50000
   48    44    45    35.00000  109.50000
   48    44    46    90.00000  108.56700
   48    53    54    35.00000  109.50000
   48    53    57    50.00000  109.50000
   48    53    74    50.00000  109.50000
   53    57    58    37.50000  110.70000
   53    57    59    75.00000  109.43000
   53    57    61    70.00000  110.72300
   53    74    68    58.35000  112.70000
   53    74    75    37.50000  110.70000
   53    74    79    50.00000  109.50000
   57    53    54    37.50000  110.70000
   57    59    60    45.00000  112.01100
   57    59    63    90.00000  108.56700
   57    59    64    90.00000  110.19100
   57    61    62    38.00000  118.40000
   57    61    66    50.00000  121.90000
   59    57    58    45.00000  108.72000
   59    63    68    60.00000  109.50000
   59    64    65    70.00000  107.92000
   63    59    60    35.00000  109.50000
   63    68    69    35.00000  109.50000
   63    68    74    50.00000  109.50000
   63    68    76    50.00000  109.50000
   68    74    75    37.50000  110.70000
   68    74    79    50.00000  109.50000
   68    76    77    37.50000  110.70000
   68    76    78    37.50000  110.70000
   68    76    81    50.00000  109.50000
   74    53    54    37.50000  110.70000
   74    53    57    58.35000  112.70000
   74    68    69    37.50000  110.70000
   74    79    80    55.00000  108.50000
   79    74    75    35.00000  109.50000
   76    68    69    37.50000  110.70000
   76    68    74    58.35000  112.70000
   76    81    82    55.00000  108.50000
   78    76    77    33.00000  107.80000
   81    76    77    35.00000  109.50000
   81    76    78    35.00000  109.50000
   64    59    60    60.00000  108.02500
   64    59    63   110.00000  112.08000
   61    57    58    35.00000  109.50000
   61    57    59    70.00000  110.72300
   61    66    67    80.00000  122.90000
   61    66    70    70.00000  116.60000
   66    61    62    35.00000  119.80000
   66    70    71    35.00000  109.50000
   66    70    72    35.00000  109.50000
   66    70    73    35.00000  109.50000
   70    66    67    80.00000  120.40000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    85.00000  109.63000
   43    41    42    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    49    46   0.44750  1.0 1.0
   29    33    49    46  -0.17800 -1.0 2.0
   29    33    49    46   0.20200  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    55   0.56750  1.0 1.0
   29    33    49    55  -0.07550 -1.0 2.0
   29    33    49    55   0.20000  1.0 3.0
   33    38    40    44   0.06250  1.0 1.0
   33    38    40    44  -0.01100 -1.0 2.0
   33    38    40    44   0.28050  1.0 3.0
   33    38    41    42   0.41150 -1.0 2.0
   33    38    41    43   0.41150 -1.0 2.0
   33    49    55    56  -0.11600  1.0 1.0
   33    49    55    56  -0.09450 -1.0 2.0
   33    49    55    56   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    49    46   0.15000  1.0 3.0
   34    33    49    50   0.15000  1.0 3.0
   34    33    49    55   0.23400  1.0 3.0
   38    33    49    46   0.56750  1.0 1.0
   38    33    49    46  -0.07550 -1.0 2.0
   38    33    49    46   0.20000  1.0 3.0
   38    33    49    50   0.15000  1.0 3.0
   38    33    49    55   0.86500  1.0 1.0
   38    33    49    55  -0.17500 -1.0 2.0
   38    33    49    55   0.20800  1.0 3.0
   38    40    44    45   0.37050  1.0 3.0
   38    40   -44    46   0.06250  1.0 1.0
   38    40   -44    46  -0.01100 -1.0 2.0
   38    40   -44    46   0.28050  1.0 3.0
   38    40    44    48  -0.81800  1.0 1.0
   39    38    40    44   0.37050  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.30150 -1.0 2.0
   40    38    41    43   0.30150 -1.0 2.0
   40    44    46    47   0.23400  1.0 3.0
   40    44    46    49   0.62750  1.0 1.0
   40    44    46    49  -0.30950 -1.0 2.0
   40    44    46    49   0.27300  1.0 3.0
   40    44    46    51   3.69350  1.0 1.0
   40    44    46    51  -1.82950 -1.0 2.0
   40    44    48    53  -0.53350  1.0 1.0
   40    44    48    53  -0.78350 -1.0 2.0
   40    44    48    53   0.33750  1.0 3.0
   44    46   -49    33   3.97050  1.0 1.0
   44    46    49    50   0.15000  1.0 3.0
   44    46    49    55   0.86500  1.0 1.0
   44    46    49    55  -0.17500 -1.0 2.0
   44    46    49    55   0.20800  1.0 3.0
   44    46    51    52  -0.11600  1.0 1.0
   44    46    51    52  -0.09450 -1.0 2.0
   44    46    51    52   0.21250  1.0 3.0
   44    48    53    54   0.37050  1.0 3.0
   44    48    53    57   0.06250  1.0 1.0
   44    48    53    57  -0.01100 -1.0 2.0
   44    48    53    57   0.28050  1.0 3.0
   44    48    53    74   0.06250  1.0 1.0
   44    48    53    74  -0.01100 -1.0 2.0
   44    48    53    74   0.28050  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    49   0.15000  1.0 3.0
   45    44    46    51   0.23400  1.0 3.0
   45    44    48    53   0.37050  1.0 3.0
   46    44    48    53   0.06250  1.0 1.0
   46    44    48    53  -0.01100 -1.0 2.0
   46    44    48    53   0.28050  1.0 3.0
   46    49    55    56  -0.11600  1.0 1.0
   46    49    55    56  -0.09450 -1.0 2.0
   46    49    55    56   0.21250  1.0 3.0
   47    46    49    33   0.15000  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    55   0.23400  1.0 3.0
   47    46    51    52   0.19450  1.0 3.0
   49    33    38    39   0.15000  1.0 3.0
   49    33   -38    40   0.62750  1.0 1.0
   49    33   -38    40  -0.30950 -1.0 2.0
   49    33   -38    40   0.27300  1.0 3.0
   49    33    38    41  -1.63150  1.0 1.0
   49    33    38    41  -0.43550 -1.0 2.0
   49    33    38    41   0.24500  1.0 3.0
   49    46    51    52  -0.11600  1.0 1.0
   49    46    51    52  -0.09450 -1.0 2.0
   49    46    51    52   0.21250  1.0 3.0
   50    49    55    56   0.19450  1.0 3.0
   51    46    49    33   0.86500  1.0 1.0
   51    46    49    33  -0.17500 -1.0 2.0
   51    46    49    33   0.20800  1.0 3.0
   51    46    49    50   0.23400  1.0 3.0
   51    46    49    55   3.75450  1.0 1.0
   48    44    46    47   0.23400  1.0 3.0
   48    44    46    49   0.62750  1.0 1.0
   48    44    46    49  -0.30950 -1.0 2.0
   48    44    46    49   0.27300  1.0 3.0
   48    44    46    51   3.69350  1.0 1.0
   48    44    46    51  -1.82950 -1.0 2.0
   48    53    57    58   0.23400  1.0 3.0
   48    53    57    59   0.62750  1.0 1.0
   48    53    57    59  -0.30950 -1.0 2.0
   48    53    57    59   0.27300  1.0 3.0
   48    53    57    61   1.12100  1.0 1.0
   48    53    57    61  -0.16500 -1.0 2.0
   48    53    74    68   0.62750  1.0 1.0
   48    53    74    68  -0.30950 -1.0 2.0
   48    53    74    68   0.27300  1.0 3.0
   48    53    74    75   0.23400  1.0 3.0
   48    53    74    79   3.69350  1.0 1.0
   48    53    74    79  -1.82950 -1.0 2.0
   53    57    59    60   0.15000  1.0 3.0
   53    57    59    63   0.62750  1.0 1.0
   53    57    59    63  -0.30950 -1.0 2.0
   53    57    59    63   0.27300  1.0 3.0
   53    57    59    64   0.86500  1.0 1.0
   53    57    59    64  -0.17500 -1.0 2.0
   53    57    59    64   0.20800  1.0 3.0
   53    57    61    62   0.00000  1.0 1.0
   53    57    61    66  -0.43950  1.0 1.0
   53    57    61    66  -0.08100 -1.0 2.0
   53    57    61    66   0.03350  1.0 3.0
   53    74    79    80  -0.11600  1.0 1.0
   53    74    79    80  -0.09450 -1.0 2.0
   53    74    79    80   0.21250  1.0 3.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    59   0.15000  1.0 3.0
   54    53    57    61   0.15000  1.0 3.0
   54    53    74    68   0.15000  1.0 3.0
   54    53    74    75   0.15000  1.0 3.0
   54    53    74    79   0.23400  1.0 3.0
   57    53    74    68   0.56750  1.0 1.0
   57    53    74    68  -0.07550 -1.0 2.0
   57    53    74    68   0.20000  1.0 3.0
   57    53    74    75   0.15000  1.0 3.0
   57    53    74    79   0.86500  1.0 1.0
   57    53    74    79  -0.17500 -1.0 2.0
   57    53    74    79   0.20800  1.0 3.0
   57    59   -63    68   0.06250  1.0 1.0
   57    59   -63    68  -0.01100 -1.0 2.0
   57    59   -63    68   0.28050  1.0 3.0
   57    59    64    65  -0.11600  1.0 1.0
   57    59    64    65  -0.09450 -1.0 2.0
   57    59    64    65   0.21250  1.0 3.0
   57    61    66    67   3.04450 -1.0 2.0
   57    61    66    70   1.49850  1.0 1.0
   57    61    66    70   1.53950 -1.0 2.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    63   0.23400  1.0 3.0
   58    57    59    64   0.23400  1.0 3.0
   58    57    61    62   0.00000  1.0 1.0
   58    57    61    66   0.00000  1.0 1.0
   59    57    61    62   0.00000  1.0 1.0
   59    57    61    66  -0.43950  1.0 1.0
   59    57    61    66  -0.08100 -1.0 2.0
   59    57    61    66   0.03350  1.0 3.0
   59    63    68    69   0.37050  1.0 3.0
   59    63    68    74   0.06250  1.0 1.0
   59    63    68    74  -0.01100 -1.0 2.0
   59    63    68    74   0.28050  1.0 3.0
   59    63    68    76   0.06250  1.0 1.0
   59    63    68    76  -0.01100 -1.0 2.0
   59    63    68    76   0.28050  1.0 3.0
   60    59    63    68   0.37050  1.0 3.0
   60    59    64    65   0.19450  1.0 3.0
   63    59    64    65  -0.50000  1.0 1.0
   63    59    64    65  -0.73950 -1.0 2.0
   63    59    64    65   0.17150  1.0 3.0
   63    68   -74    53   0.62750  1.0 1.0
   63    68   -74    53  -0.30950 -1.0 2.0
   63    68   -74    53   0.27300  1.0 3.0
   63    68    74    75   0.23400  1.0 3.0
   63    68    74    79   3.69350  1.0 1.0
   63    68    74    79  -1.82950 -1.0 2.0
   63    68    76    77   0.23400  1.0 3.0
   63    68    76    78   0.23400  1.0 3.0
   63    68    76    81   3.69350  1.0 1.0
   63    68    76    81  -1.82950 -1.0 2.0
   68    74    79    80  -0.11600  1.0 1.0
   68    74    79    80  -0.09450 -1.0 2.0
   68    74    79    80   0.21250  1.0 3.0
   68    76    81    82  -0.11600  1.0 1.0
   68    76    81    82  -0.09450 -1.0 2.0
   68    76    81    82   0.21250  1.0 3.0
   69    68    74    53   0.15000  1.0 3.0
   69    68    74    75   0.15000  1.0 3.0
   69    68    74    79   0.23400  1.0 3.0
   69    68    76    77   0.15000  1.0 3.0
   69    68    76    78   0.15000  1.0 3.0
   69    68    76    81   0.23400  1.0 3.0
   74    53    57    58   0.15000  1.0 3.0
   74    53   -57    59   3.97050  1.0 1.0
   74    53    57    61  -0.27100  1.0 1.0
   74    53    57    61  -0.01700 -1.0 2.0
   74    53    57    61  -0.48600  1.0 3.0
   74    68    76    77   0.15000  1.0 3.0
   74    68    76    78   0.15000  1.0 3.0
   74    68    76    81   0.86500  1.0 1.0
   74    68    76    81  -0.17500 -1.0 2.0
   74    68    76    81   0.20800  1.0 3.0
   75    74    79    80   0.19450  1.0 3.0
   76    68    74    53   0.56750  1.0 1.0
   76    68    74    53  -0.07550 -1.0 2.0
   76    68    74    53   0.20000  1.0 3.0
   76    68    74    75   0.15000  1.0 3.0
   76    68    74    79   0.86500  1.0 1.0
   76    68    74    79  -0.17500 -1.0 2.0
   76    68    74    79   0.20800  1.0 3.0
   77    76    81    82   0.19450  1.0 3.0
   78    76    81    82   0.19450  1.0 3.0
   64    59    63    68  -0.81800  1.0 1.0
   61    57    59    60   0.15000  1.0 3.0
   61    57    59    63   1.12100  1.0 1.0
   61    57    59    63  -0.16500 -1.0 2.0
   61    57    59    64   2.76900  1.0 1.0
   61    57    59    64  -0.24350 -1.0 2.0
   61    57    59    64  -0.78250  1.0 3.0
   61    66    70    71   0.00000  1.0 1.0
   61    66    70    72   0.00000  1.0 1.0
   61    66    70    73   0.00000  1.0 1.0
   62    61    66    67   2.45000 -1.0 2.0
   62    61    66    70   2.45000 -1.0 2.0
   67    66    70    71   0.00000  1.0 1.0
   67    66    70    72   0.00000  1.0 1.0
   67    66    70    73   0.00000  1.0 1.0
   41    38    40    44  -1.11000  1.0 1.0
   41    38    40    44   0.50250 -1.0 2.0
   41    38    40    44   0.47450  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
   62    66    61    57   1.00000 -1.0 2.0
   61    70    66    67  10.50000 -1.0 2.0
   42    38    41    43  10.50000 -1.0 2.0
END
