* LIGAND DATABASE FILE (OPLS2005)
*
001      86    89    157    248     451
    1     0 S   NP   _N1_     1    27.95152    96.27364   -23.01605
    2     1 S   H    _HN1     2     1.02780   101.52128  -108.72108
    3     1 S   H    _H1_     3     1.02957    80.29759    -1.82188
    4     1 S   H    _H2_     4     1.02836    31.64098   145.81336
    5     1 S   CT   _CA1     5     1.50102   137.92208   107.96121
    6     5 S   HC   _HA1     6     1.09578   105.23345    79.26583
    7     5 S   CO3  _C1_     7     1.53733   112.41848   -40.92167
    8     7 S   O2Z  _O11     8     1.26353   115.05301   -44.31668
    9     7 S   O2Z  _O12     9     1.26233   114.91960   134.93083
   10     5 S   CT   _CB1    10     1.53090   107.44336  -162.86906
   11    10 S   HC   HB11    11     1.09822   109.26301   -51.52672
   12    10 S   HC   HB12    12     1.09818   110.44869    65.00345
   13    10 S   CT   _CG1    13     1.53003   112.67013  -172.67584
   14    13 S   HC   HG11    14     1.09609   110.41388   -64.45499
   15    13 S   HC   HG12    15     1.09653   109.99271    54.73370
   16    13 S   C    _CD1    16     1.51821   112.36341   175.02224
   17    16 S   O    _OE1    17     1.22743   123.30638    -3.32661
   18    16 S   N    _N2_    18     1.38516   111.62877   176.88932
   19    18 S   H    _HN2    19     1.01559   119.02093     4.47685
   20    18 S   CT1  _CA2    20     1.45885   123.04478   178.21195
   21    20 S   HC   _HA2    21     1.09731   109.04289    21.26957
   22    20 S   C    _C2_    22     1.52940   106.94932   -95.64761
   23    22 S   O    _O2_    23     1.22975   122.98855   -23.85003
   24    20 S   CT   _CB2    32     1.53369   112.02390   144.38146
   25    24 S   HC   HB21    33     1.09346   109.58682    56.50570
   26    24 S   HC   HB22    34     1.09460   109.77225   175.21198
   27    22 S   N    _N3_    24     1.38636   112.49120   158.72009
   28    27 S   H    _HN3    25     1.01510   119.75086     1.24725
   29    24 S   S    _SG2    35     1.82710   110.46354   -65.37318
   30    27 S   CT   _CA3    26     1.45413   122.50089   176.18351
   31    30 S   HC   HA31    27     1.09564   108.54314    37.11992
   32    30 S   HC   HA32    28     1.09475   107.21506   154.11900
   33    29 S   CT   _C19    36     1.90580   103.01671   167.36765
   34    30 S   CO3  _C3_    29     1.53085   114.11599   -85.55778
   35    34 S   O2Z  _O31    30     1.26320   116.07984   -25.75210
   36    34 S   O2Z  _O32    31     1.26455   114.49394   155.05559
   37    33 S   CM   _C14    37     1.55080   104.45162   166.59539
   38    33 S   CT   _C20    71     1.55622   109.14198    46.57520
   39    38 S   HC   _H15    72     1.09584   111.15959    56.00861
   40    38 S   HC   _H16    73     1.09490   109.93595   -62.70812
   41    37 S   N4   _N5_    38     1.36329   119.22425    95.78915
   42    37 S   CMA  _C15    68     1.53382   120.98519   -76.63453
   43    42 S   OM   _O4_    69     1.26346   119.87166  -109.00246
   44    42 S   OM   _O5_    70     1.26271   121.69514    72.00901
   45    38 S   S    _S2_    74     1.83453   114.55552   179.05312
   46    41 S   C4   _C5_    39     1.35283   137.11302  -160.94411
   47    46 S   O    _O1_    40     1.20885   134.62851    -1.11276
   48    41 S   C4T  _C18    43     1.44842   125.73323    26.90016
   49    48 S   HC   _H14    44     1.09779   112.10491    73.11631
   50    45 S   CRA  _C16    75     1.72618   100.87884   175.42765
   51    46 S   C4T  _C4_    41     1.56069    89.64169   175.11665
   52    51 S   HC   _H4_    42     1.09595   113.38790   123.47398
   53    48 S   S    _S1_    45     1.80703   110.46295   -54.71823
   54    50 S   N5B  _N6_    76     1.31433   127.23064    25.52578
   55    33 S   CT   _C17    46     1.56261   106.53900   -71.98226
   56    55 S   HC   _H12    47     1.09367   112.11256    53.39906
   57    55 S   HC   _H13    48     1.09521   110.77497   170.95788
   58    51 S   N    _N4_    49     1.47888   113.91891  -106.97632
   59    58 S   H    _H3_    50     1.01772   118.92997    89.23558
   60    54 S   N5B  _N7_    77     1.37391   105.84952  -179.15350
   61    58 S   C    _C12    51     1.38671   122.71695   -90.42178
   62    61 S   O    _O33    52     1.22944   124.57936     0.07662
   63    60 S   N5A  _N8_    78     1.32637   111.09611     0.38614
   64    61 S   CT   _C13    53     1.52646   112.90452   179.84805
   65    64 S   HC   _H10    54     1.09656   107.72905   -46.88581
   66    50 S   NA   _N9_    79     1.36571   124.15349  -153.83968
   67    64 S   CA   _C11    55     1.51250   112.19017    74.78039
   68    64 S   OH   _O3_    66     1.42084   110.11889  -162.66363
   69    68 S   HO   _H11    67     0.97245   107.98221   -57.74619
   70    66 S   CT   _C21    80     1.44448   130.91849     3.55148
   71    70 S   HC   _H17    81     1.09557   107.91636   139.83136
   72    70 S   HC   _H18    82     1.09343   109.14181    22.97454
   73    67 S   CA   _C9_    56     1.40221   119.97135  -123.62534
   74    73 S   HA   _H8_    57     1.08752   120.54882    -0.12033
   75    70 S   SY   _S3_    83     1.77464   115.82887   -99.24518
   76    75 S   OY   _O6_    84     1.46121   103.72682   -61.43719
   77    75 S   OY   _O7_    85     1.46059   103.70287    59.19901
   78    75 S   OY   _O8_    86     1.46225   102.66478   178.90104
   79    73 S   CA   _C7_    58     1.39611   120.59712   179.89532
   80    79 S   HA   _H6_    59     1.08646   119.84817  -179.97202
   81    79 S   CA   _C6_    60     1.39296   120.13534     0.06853
   82    81 S   HA   _H5_    61     1.08606   120.01870   180.00000
   83    81 S   CA   _C8_    62     1.39293   119.88929     0.06853
   84    83 S   HA   _H7_    63     1.08625   119.97591   179.93147
   85    67 S   CA   _C10    64     1.40380   121.34528    56.49457
   86    85 S   HA   _H9_    65     1.08731   120.52768     0.02798
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  16   2   1   1  17  12   4   3  12   5   1   1   7   9   4  10
   5   8   8   4   4   4   2   1   1   7   3   3   8   4   5  10
   5   7  11   3   1   6   5   4   8   4   3   2   1   1   6   3
   5   3   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    55    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    53    55    56    57    42    38    39    40    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    46    48    53    55    56    57    42    43    44    38    39    40    45    50  
   35    36  
   36  
    0  
   41    46    47    51    48    49    53    55    56    57    42    43    44    38    39    40    45  
   39    40    45    50    54    66    41    42    53    55    56    57  
   40    45    50    55  
   45    50    55  
   46    47    51    52    48    49    53    55    58    42    43    44  
   43    44    46    48    55  
   44  
    0  
   50    54    60    63    66    70    55  
   47    51    52    48    49    53    58    59    61  
   51    52    48    58  
   49    53    55    56    57    58    59    61    51    52  
   53    55    58    51    52  
   54    60    63    66    70    71    72    75  
   52    53    55    58    59    61    62    64  
   53    58    59    61  
   55    56    57    58  
   60    63    66    70  
   56    57  
   57  
    0  
   59    61    62    64    65    67    68  
   61    62    64  
   63    66    70  
   62    64    65    67    73    85    68    69  
   64    65    67    68  
   66    70    71    72    75  
   65    67    73    74    79    83    85    86    68    69  
   67    73    85    68    69  
   70    71    72    75    76    77    78  
   73    74    79    80    81    83    84    85    86    68    69  
   69    73    85  
    0  
   71    72    75    76    77    78  
   72    75    76    77    78  
   75    76    77    78  
   74    79    80    81    82    83    85    86  
   79    80    81    85  
   76    77    78  
   77    78  
   78  
    0  
   80    81    82    83    84    85  
   81    82    83  
   82    83    84    85    86  
   83    84    85  
   84    85    86  
   85    86  
   86  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.047500   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   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   42   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.6000   0.3550  -0.320000   2.0300   1.8000   0.025682759  -1.666211680
   46   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5500   0.0700   0.552100   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   54   3.2800   0.1700  -0.392400   1.8000   1.6000   0.001000000  -0.511443539
   55   3.5000   0.0660   0.047500   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   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   59   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   60   3.2800   0.1700  -0.040200   1.8650   1.6500   0.001000000  -0.511443539
   61   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   63   3.2800   0.1700  -0.248300   1.8650   1.6500   0.001000000  -0.511443539
   64   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.2500   0.1700   0.158800   1.8000   1.6000   0.001000000  -0.511443539
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660  -0.421900   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.195000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.195000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.2500   1.453700   2.0025   1.7750   0.025682759  -1.666211680
   76   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   77   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   78   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   83   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   85   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   86   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    55   268.000  1.529
   33    38   268.000  1.529
   37    41   400.000  1.384
   37    42   465.000  1.376
   41    46   440.000  1.369
   41    48   305.000  1.456
   46    47   930.000  1.212
   46    51   250.000  1.540
   51    52   340.000  1.090
   51    48   268.000  1.529
   51    58   337.000  1.449
   48    49   340.000  1.090
   48    53   200.000  1.824
   53    55   222.000  1.810
   55    56   340.000  1.090
   55    57   340.000  1.090
   58    59   434.000  1.010
   58    61   490.000  1.335
   61    62   570.000  1.229
   61    64   317.000  1.522
   64    65   340.000  1.090
   64    67   317.000  1.510
   64    68   320.000  1.410
   67    73   469.000  1.400
   67    85   469.000  1.400
   73    74   367.000  1.080
   73    79   469.000  1.400
   79    80   367.000  1.080
   79    81   469.000  1.400
   81    82   367.000  1.080
   81    83   469.000  1.400
   83    84   367.000  1.080
   83    85   469.000  1.400
   85    86   367.000  1.080
   68    69   553.000  0.945
   42    43   745.000  1.250
   42    44   745.000  1.250
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    45   222.000  1.810
   45    50   245.000  1.755
   50    54   488.000  1.335
   50    66   477.000  1.343
   54    60   290.000  1.379
   60    63   420.000  1.291
   63    66   400.000  1.349
   66    70   320.000  1.443
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    75   205.000  1.840
   75    76   735.000  1.471
   75    77   735.000  1.471
   75    78   735.000  1.471
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    55    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  113.82800
   33    37    42    70.00000  124.00000
   33    55    53    75.00000  111.63000
   33    55    56    37.50000  110.70000
   33    55    57    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    45    75.00000  111.63000
   37    41    46    50.00000  132.10000
   37    41    48    50.00000  132.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  137.10300
   41    46    47    75.00000  131.60000
   41    46    51    95.00000   92.72400
   41    48    51   105.00000   87.49700
   41    48    49    50.00000  112.01000
   41    48    53    80.00000  108.62000
   46    51    52    40.00000  113.37500
   46    51    48   100.00000   86.36000
   46    51    58    75.00000  110.24000
   51    46    47    60.00000  136.58000
   51    48    49    37.50000  110.70000
   51    48    53    65.00000  119.05700
   51    58    59    38.00000  118.40000
   51    58    61    50.00000  121.90000
   48    41    46   100.00000   93.00000
   48    51    52    37.50000  110.70000
   48    53    55    85.00000   99.86700
   53    48    49    45.00000  109.41400
   53    55    56    35.00000  109.50000
   53    55    57    35.00000  109.50000
   55    33    37    70.00000  112.02700
   57    55    56    33.00000  107.80000
   58    51    52    50.00000  112.01000
   58    51    48    80.00000  110.05700
   58    61    62    80.00000  122.90000
   58    61    64    70.00000  116.60000
   61    58    59    35.00000  119.80000
   61    64    65    35.00000  109.50000
   61    64    67    70.00000  109.44300
   61    64    68    95.00000  109.52300
   64    61    62    80.00000  120.40000
   64    67    73    70.00000  120.00000
   64    67    85    70.00000  120.00000
   64    68    69    55.00000  108.50000
   67    64    65    35.00000  109.50000
   67    73    74    35.00000  120.00000
   67    73    79    63.00000  120.00000
   67    85    83    63.00000  120.00000
   67    85    86    35.00000  120.00000
   73    79    80    35.00000  120.00000
   73    79    81    63.00000  120.00000
   79    73    74    35.00000  120.00000
   79    81    82    35.00000  120.00000
   79    81    83    63.00000  120.00000
   81    79    80    35.00000  120.00000
   81    83    84    35.00000  120.00000
   81    83    85    63.00000  120.00000
   83    81    82    35.00000  120.00000
   83    85    86    35.00000  120.00000
   85    67    73    63.00000  120.00000
   85    83    84    35.00000  120.00000
   68    64    65    35.00000  109.50000
   68    64    67    90.00000  112.51600
   42    37    41    75.00000  120.83300
   44    42    43    65.00000  121.00000
   38    33    37    70.00000  112.02700
   38    33    55    58.35000  112.70000
   38    45    50    85.00000   97.05500
   40    38    39    33.00000  107.80000
   45    38    39    35.00000  109.50000
   45    38    40    35.00000  109.50000
   45    50    54    70.00000  126.12900
   45    50    66    70.00000  123.45500
   50    54    60   100.00000  108.10500
   50    66    63    95.00000  110.06400
   50    66    70    60.00000  127.66100
   54    60    63   100.00000  111.97400
   60    63    66   110.00000  106.81600
   63    66    70    75.00000  118.68000
   66    50    54    70.00000  120.00000
   66    70    71    50.00000  108.61900
   66    70    72    50.00000  108.61900
   66    70    75    85.00000  110.00000
   70    75    76   100.00000  108.55000
   70    75    77   100.00000  108.55000
   70    75    78   100.00000  108.55000
   72    70    71    33.00000  107.80000
   75    70    71    45.00000  108.39800
   75    70    72    45.00000  108.39800
   77    75    76   115.00000  120.17200
   78    75    76   115.00000  120.17200
   78    75    77   115.00000  120.17200
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    41   0.09700  1.0 1.0
   29    33    37    41   0.15600 -1.0 2.0
   29    33    37    41  -0.50800  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    55    53   0.56750  1.0 1.0
   29    33    55    53  -0.07550 -1.0 2.0
   29    33    55    53   0.20000  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    57   0.15000  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    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   33    37    41    46   0.00000  1.0 1.0
   33    37    41    48   0.00000  1.0 1.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    44   7.00000 -1.0 2.0
   33    38    45    50  -0.35400  1.0 1.0
   33    38    45    50  -0.24450 -1.0 2.0
   33    38    45    50   0.44000  1.0 3.0
   37    33    55    53   0.56750  1.0 1.0
   37    33    55    53  -0.07550 -1.0 2.0
   37    33    55    53   0.20000  1.0 3.0
   37    33    55    56   0.15000  1.0 3.0
   37    33    55    57   0.15000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    45   0.56750  1.0 1.0
   37    33    38    45  -0.07550 -1.0 2.0
   37    33    38    45   0.20000  1.0 3.0
   37    41    46    47   3.00000 -1.0 2.0
   37    41    46    51   3.00000 -1.0 2.0
   37    41   -48    51   0.00000  1.0 1.0
   37    41    48    49   0.00000  1.0 1.0
   37    41   -48    53   0.00000  1.0 1.0
   41    37    42    43   7.00000 -1.0 2.0
   41    37    42    44   7.00000 -1.0 2.0
   41    46    51    52   0.00000  1.0 1.0
   41    46   -51    48   3.00000 -1.0 2.0
   41    46    51    58   0.00000  1.0 1.0
   41    48    53    55   0.01700  1.0 1.0
   41    48    53    55  -0.23550 -1.0 2.0
   41    48    53    55   0.21350  1.0 3.0
   46    41   -48    51   0.00000  1.0 1.0
   46    41    48    49   0.00000  1.0 1.0
   46    41    48    53   0.00000  1.0 1.0
   46    51   -48    41   3.00000 -1.0 2.0
   46    51   -48    49   0.15000  1.0 3.0
   46    51   -48    53   0.00000  1.0 1.0
   46    51    58    59   0.00000  1.0 1.0
   46    51    58    61  -0.42300  1.0 1.0
   46    51    58    61  -0.07000 -1.0 2.0
   46    51    58    61   0.04150  1.0 3.0
   47    46    51    52   0.00000  1.0 1.0
   47    46    51    48  -0.11250  1.0 1.0
   47    46    51    48   0.11400 -1.0 2.0
   47    46    51    48  -0.28950  1.0 3.0
   47    46    51    58   0.30150 -1.0 2.0
   51    48    53    55   0.25150  1.0 1.0
   51    48    53    55  -1.17200 -1.0 2.0
   51    48    53    55   0.53050  1.0 3.0
   51    58    61    62   3.04450 -1.0 2.0
   51    58    61    64   1.49850  1.0 1.0
   51    58    61    64   1.53950 -1.0 2.0
   52    51   -48    41   0.15000  1.0 3.0
   52    51    48    49   0.15000  1.0 3.0
   52    51    48    53   0.00000  1.0 1.0
   52    51    58    59   0.00000  1.0 1.0
   52    51    58    61   0.00000  1.0 1.0
   48    41   -46    47   3.00000 -1.0 2.0
   48    41   -46    51   3.00000 -1.0 2.0
   48    51    58    59   0.00000  1.0 1.0
   48    51    58    61  -0.43950  1.0 1.0
   48    51    58    61  -0.08100 -1.0 2.0
   48    51    58    61   0.03350  1.0 3.0
   48    53   -55    33  -0.25000 -1.0 2.0
   48    53   -55    33  -0.01800  1.0 3.0
   48    53    55    56   0.32350  1.0 3.0
   48    53    55    57   0.32350  1.0 3.0
   49    48    53    55   0.00000  1.0 1.0
   55    33   -37    41  -0.93550  1.0 1.0
   55    33   -37    41   0.38900 -1.0 2.0
   55    33   -37    41   0.16950  1.0 3.0
   55    33    37    42   0.09850  1.0 1.0
   55    33    37    42   0.15250 -1.0 2.0
   55    33    37    42  -0.50650  1.0 3.0
   55    33    38    39   0.15000  1.0 3.0
   55    33    38    40   0.15000  1.0 3.0
   55    33    38    45   0.44750  1.0 1.0
   55    33    38    45  -0.17800 -1.0 2.0
   55    33    38    45   0.20200  1.0 3.0
   58    51   -48    41   2.20050  1.0 1.0
   58    51   -48    41   0.63450 -1.0 2.0
   58    51   -48    41  -0.91300  1.0 3.0
   58    51    48    49   0.15000  1.0 3.0
   58    51    48    53   0.00000  1.0 1.0
   58    61    64    65   0.00000  1.0 1.0
   58    61    64    67   0.00000  1.0 1.0
   58    61    64    68   0.00000  1.0 1.0
   59    58    61    62   2.45000 -1.0 2.0
   59    58    61    64   2.45000 -1.0 2.0
   61    64    67    73   0.04300 -1.0 2.0
   61    64    67    85   0.04300 -1.0 2.0
   61    64    68    69   0.91850  1.0 1.0
   61    64    68    69   0.57950  1.0 3.0
   62    61    64    65   0.00000  1.0 1.0
   62    61    64    67   0.30150 -1.0 2.0
   62    61    64    68   0.30150 -1.0 2.0
   64    67    73    74   3.62500 -1.0 2.0
   64    67    73    79   3.62500 -1.0 2.0
   64    67    85    83   3.62500 -1.0 2.0
   64    67    85    86   3.62500 -1.0 2.0
   65    64    67    73   0.00000  1.0 1.0
   65    64    67    85   0.00000  1.0 1.0
   65    64    68    69   0.19450  1.0 3.0
   67    64    68    69   0.31900  1.0 1.0
   67    64    68    69  -0.11800 -1.0 2.0
   67    64    68    69   0.38750  1.0 3.0
   67    73    79    80   3.62500 -1.0 2.0
   67    73    79    81   3.62500 -1.0 2.0
   73    67    85    83   3.62500 -1.0 2.0
   73    67    85    86   3.62500 -1.0 2.0
   73    79    81    82   3.62500 -1.0 2.0
   73    79   -81    83   3.62500 -1.0 2.0
   74    73    79    80   3.62500 -1.0 2.0
   74    73    79    81   3.62500 -1.0 2.0
   79    81    83    84   3.62500 -1.0 2.0
   79    81    83    85   3.62500 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   80    79    81    83   3.62500 -1.0 2.0
   81    83   -85    67   3.62500 -1.0 2.0
   81    83    85    86   3.62500 -1.0 2.0
   82    81    83    84   3.62500 -1.0 2.0
   82    81    83    85   3.62500 -1.0 2.0
   84    83    85    67   3.62500 -1.0 2.0
   84    83    85    86   3.62500 -1.0 2.0
   85    67    73    74   3.62500 -1.0 2.0
   85    67   -73    79   3.62500 -1.0 2.0
   68    64    67    73   0.14300 -1.0 2.0
   68    64    67    73   0.00300  1.0 3.0
   68    64    67    85   0.14300 -1.0 2.0
   68    64    67    85   0.00300  1.0 3.0
   42    37    41    46   0.00000  1.0 1.0
   42    37    41    48   0.00000  1.0 1.0
   38    33    37    41  -0.93550  1.0 1.0
   38    33    37    41   0.38900 -1.0 2.0
   38    33    37    41   0.16950  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    55    53   0.44750  1.0 1.0
   38    33    55    53  -0.17800 -1.0 2.0
   38    33    55    53   0.20200  1.0 3.0
   38    33    55    56   0.15000  1.0 3.0
   38    33    55    57   0.15000  1.0 3.0
   38    45    50    54   0.63150 -1.0 2.0
   38    45    50    66   0.63150 -1.0 2.0
   39    38    45    50   0.24000  1.0 3.0
   40    38    45    50   0.24000  1.0 3.0
   45    50    54    60   3.62500 -1.0 2.0
   45    50    66    63   3.62500 -1.0 2.0
   45    50    66    70   3.62500 -1.0 2.0
   50    54   -60    63   3.62500 -1.0 2.0
   50    66    70    71   0.00000  1.0 1.0
   50    66    70    72   0.00000  1.0 1.0
   50    66    70    75   0.68100  1.0 1.0
   50    66    70    75   0.03350 -1.0 2.0
   50    66    70    75   0.36200  1.0 3.0
   54    50   -66    63   3.62500 -1.0 2.0
   54    50    66    70   3.62500 -1.0 2.0
   54    60   -63    66   3.62500 -1.0 2.0
   60    63   -66    50   3.62500 -1.0 2.0
   60    63    66    70   3.62500 -1.0 2.0
   63    66    70    71   0.00000  1.0 1.0
   63    66    70    72   0.00000  1.0 1.0
   63    66    70    75   0.68100  1.0 1.0
   63    66    70    75   0.03350 -1.0 2.0
   63    66    70    75   0.36200  1.0 3.0
   66    50   -54    60   3.62500 -1.0 2.0
   66    70    75    76  -0.67400  1.0 1.0
   66    70    75    76   0.68950 -1.0 2.0
   66    70    75    76  -0.11550  1.0 3.0
   66    70    75    77  -0.67400  1.0 1.0
   66    70    75    77   0.68950 -1.0 2.0
   66    70    75    77  -0.11550  1.0 3.0
   66    70    75    78  -0.67400  1.0 1.0
   66    70    75    78   0.68950 -1.0 2.0
   66    70    75    78  -0.11550  1.0 3.0
   71    70    75    76   0.26000  1.0 3.0
   71    70    75    77   0.26000  1.0 3.0
   71    70    75    78   0.26000  1.0 3.0
   72    70    75    76   0.26000  1.0 3.0
   72    70    75    77   0.26000  1.0 3.0
   72    70    75    78   0.26000  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   33    41    37    42   1.10000 -1.0 2.0
   48    46    41    37   1.00000 -1.0 2.0
   41    51    46    47  10.50000 -1.0 2.0
   59    61    58    51   1.00000 -1.0 2.0
   58    64    61    62  10.50000 -1.0 2.0
   73    85    67    64   4.00000 -1.0 2.0
   79    74    73    67   1.10000 -1.0 2.0
   81    80    79    73   1.10000 -1.0 2.0
   83    82    81    79   1.10000 -1.0 2.0
   85    84    83    81   1.10000 -1.0 2.0
   83    86    85    67   1.10000 -1.0 2.0
   43    44    42    37   1.10000 -1.0 2.0
   54    66    50    45   4.00000 -1.0 2.0
   63    70    66    50   4.00000 -1.0 2.0
END
