* LIGAND DATABASE FILE (OPLS2005)
*
001      98   103    197    325     586
    1     0 S   NP   _N1_     1    28.99692    95.48160   -25.16206
    2     1 S   H    _HN1     2     1.02792   117.07798   -96.97409
    3     1 S   H    _H1_     3     1.02948    76.23677     6.86327
    4     1 S   H    _H2_     4     1.02827    30.90802  -176.45746
    5     1 S   CT   _CA1     5     1.50119   124.83806   112.36002
    6     5 S   HC   _HA1     6     1.09574   105.17202    90.61121
    7     5 S   CO3  _C1_     7     1.53767   112.45679   -29.60756
    8     7 S   O2Z  _O11     8     1.26373   115.01040   -42.98268
    9     7 S   O2Z  _O12     9     1.26235   114.93583   136.05774
   10     5 S   CT   _CB1    10     1.53062   107.40814  -151.42981
   11    10 S   HC   HB11    11     1.09839   109.32377   -49.57704
   12    10 S   HC   HB12    12     1.09811   110.47657    67.01024
   13    10 S   CT   _CG1    13     1.53019   112.64311  -170.52564
   14    13 S   HC   HG11    14     1.09572   110.71291   -67.07840
   15    13 S   HC   HG12    15     1.09670   109.71777    52.17455
   16    13 S   C    _CD1    16     1.51810   112.02540   172.63516
   17    16 S   O    _OE1    17     1.22756   123.19760    11.20878
   18    16 S   N    _N2_    18     1.38652   111.81970  -168.81540
   19    18 S   H    _HN2    19     1.01581   118.99701     1.05832
   20    18 S   CT1  _CA2    20     1.46189   123.33530   176.58333
   21    20 S   HC   _HA2    21     1.09746   109.27493     6.53471
   22    20 S   C    _C2_    22     1.53651   108.91149  -108.93711
   23    22 S   O    _O2_    23     1.23082   122.21727  -149.21619
   24    20 S   CT   _CB2    32     1.53334   111.68587   128.46905
   25    24 S   HC   HB21    33     1.09508   110.05146    56.76319
   26    24 S   HC   HB22    34     1.09496   109.89316   175.74329
   27    22 S   N    _N3_    24     1.38306   113.85668    38.31567
   28    27 S   H    _HN3    25     1.01551   119.60692    -3.30890
   29    24 S   S    _SG2    35     1.82897   111.40310   -64.37967
   30    27 S   CT   _CA3    26     1.45285   123.28611   177.14247
   31    30 S   HC   HA31    27     1.09547   107.51471   -64.67622
   32    30 S   HC   HA32    28     1.09555   107.99426    51.78313
   33    29 S   CT   _C26    36     1.87226   100.07648  -171.89143
   34    33 S   HC   _H7_    37     1.09698   105.56243    31.69924
   35    30 S   CO3  _C3_    29     1.52977   114.03298   173.77213
   36    35 S   O2Z  _O31    30     1.26384   116.06704    -0.68214
   37    35 S   O2Z  _O32    31     1.26423   114.42257   179.38198
   38    33 S   CM   _C25    38     1.51280   105.22909   -77.04056
   39    38 S   HC   _H23    39     1.09307   113.18998    75.38589
   40    33 S   CT   _C9_    82     1.61958   114.54460   147.46310
   41    38 S   CMA  _C24    40     1.34881   130.56430  -104.69423
   42    41 S   OM   _O39    41     1.26647   124.30295   176.88592
   43    40 S   CT   _C29    83     1.54528   110.95795    31.71011
   44    43 S   HC   _H30    84     1.08839   112.64376   161.75178
   45    43 S   HC   _H31    85     1.09481   111.79507    43.07978
   46    43 S   HC   _H32    86     1.09231   112.96400   -77.42284
   47    41 S   OS   _O38    42     1.39423   113.75481     1.25461
   48    47 S   CT   _C23    43     1.44073   116.03380   -80.81610
   49    48 S   CT   _C10    44     1.57981   111.54605    69.63189
   50    49 S   HC   _H4_    45     1.10210   106.17321   -89.55942
   51    48 S   CT   _C27    91     1.54534   103.22118  -167.12037
   52    51 S   HC   _H24    92     1.09780   110.11697    55.72551
   53    51 S   HC   _H25    93     1.09179   112.35558   -61.21931
   54    51 S   HC   _H26    94     1.09417   112.81658   175.42200
   55    48 S   CT   _C28    95     1.54998   111.78029   -54.31306
   56    55 S   HC   _H27    96     1.09626   110.94604   -48.22678
   57    55 S   HC   _H28    97     1.09475   111.82773  -168.82092
   58    55 S   HC   _H29    98     1.09543   111.75512    70.90621
   59    49 S   CT   _C11    46     1.53919   110.46046   157.24310
   60    59 S   HC   _H15    47     1.09609   110.56221    53.98072
   61    59 S   HC   _H16    48     1.09192   113.02536   -65.06954
   62    59 S   CO4  _C12    49     1.50635   110.49763   172.50365
   63    62 S   O    _O33    50     1.22998   119.78687  -111.32923
   64    62 S   CT   _C13    51     1.53245   116.30486    64.81768
   65    64 S   CT   _C8_    52     1.57211   102.87117   -60.20711
   66    65 S   HC   _H3_    53     1.09482   103.17252   -57.65048
   67    64 S   CT   _C22    87     1.54551   110.02225    60.18880
   68    67 S   HC   _H20    88     1.09505   111.46224  -179.35776
   69    67 S   HC   _H21    89     1.09707   110.93742    60.46536
   70    67 S   HC   _H22    90     1.08478   114.52199   -57.26093
   71    65 S   CT   _C7_    54     1.54389   111.88723  -169.67406
   72    71 S   HC   _H13    55     1.09362   111.33227   -90.60696
   73    71 S   HC   _H14    56     1.09457   108.66349   152.37423
   74    71 S   CT   _C6_    57     1.53080   116.12679    32.84801
   75    74 S   HC   _H11    58     1.09642   107.89389   147.52552
   76    74 S   HC   _H12    59     1.09884   107.75390   -98.80192
   77    74 S   CT   _C5_    60     1.54081   115.19457    22.83311
   78    77 S   CT   _C17    61     1.57781   109.93278  -175.03091
   79    78 S   HC   _H6_    62     1.09928   110.18385    57.62577
   80    77 S   CT   _C4_    78     1.54851   112.51666    64.04797
   81    80 S   HC   _H8_    79     1.09556   111.65806   165.72496
   82    80 S   HC   _H9_    80     1.09525   111.08274    45.65717
   83    80 S   HC   _H10    81     1.08825   114.37258   -75.63808
   84    78 S   C5BC _C18    63     1.50552   114.93576   -61.61157
   85    78 S   OS   _O36    71     1.45801   110.63247   174.25373
   86    84 S   C5BC _C19    64     1.42542   128.08988   -86.89614
   87    86 S   HA   _H17    65     1.08095   127.40995     0.86071
   88    85 S   CO4  _C16    72     1.36612   122.04493   -45.20250
   89    88 S   O    _O35    73     1.22454   122.26808  -175.03032
   90    86 S   C5A  _C20    66     1.37446   106.66400  -179.19936
   91    90 S   HA   _H18    67     1.08026   133.82145  -179.78060
   92    88 S   C3T  _C15    74     1.48048   117.29627     6.13836
   93    92 S   HC   _H5_    75     1.08109   114.87045   174.74089
   94    90 S   OA   _O37    68     1.35651   110.47629     0.55249
   95    64 S   C3T  _C14    76     1.58224   111.67458  -179.53186
   96    84 S   C5A  _C21    69     1.38217   126.91392    95.12705
   97    96 S   HA   _H19    70     1.08075   133.42205    -0.95879
   98    92 S   O3T  _O34    77     1.41674   113.55260   -48.76401
  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   9   5   4   3
  19   7   2   1   1   9   4  24   6   2  11   4   3   2  12  15
  18   7   8   3   2   1   4   2   1   1   8   4   3  13   4  18
  15   6   8   3   2   1   9   5   4  14   5   4  15  18   7   8
   3   2   1  10   8   6   4   5   4   4   2   3   2   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    49    65    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    47    48    49    50    59    64    65    66    71    40    43    44    45    46  
   38    39    41    49    65    40    43  
   36    37  
   37  
    0  
   39    41    42    47    48    49    65    40    43  
   41    42    47    40  
   43    44    45    46    67    51    55    41    47    48    49    50    59    60    61    62    64    65    66    71    72    73    74    95  
   42    47    48    49    51    55  
   47    48  
   44    45    46    48    49    50    59    64    65    66    71  
   45    46    49    65  
   46    49    65  
   49    65  
   48    49    50    59    51    52    53    54    55    56    57    58  
   49    50    59    60    61    62    65    51    52    53    54    55    56    57    58  
   50    59    60    61    62    63    64    65    66    71    51    52    53    54    55    56    57    58  
   59    60    61    62    65    51    55  
   52    53    54    55    56    57    58    59  
   53    54    55  
   54    55  
   55  
   56    57    58    59  
   57    58  
   58  
    0  
   60    61    62    63    64    65    95    67  
   61    62    63    64  
   62    63    64  
   63    64    65    66    71    77    92    95    98    67    68    69    70  
   64    65    95    67  
   65    66    71    72    73    74    77    78    88    92    93    95    98    80    67    68    69    70  
   66    71    72    73    74    75    76    77    92    95    98    67    68    69    70  
   71    72    73    74    95    67  
   68    69    70    71    77    92    95    98  
   69    70    95  
   70    95  
   95  
   72    73    74    75    76    77    78    95    80  
   73    74    75    76    77  
   74    75    76    77  
   75    76    77    78    79    84    85    92    95    98    80    81    82    83  
   76    77    78    95    80  
   77    78    95    80  
   78    79    84    86    96    85    88    92    93    95    98    80    81    82    83  
   79    84    86    87    90    94    96    97    85    88    89    92    95    98    80    81    82    83  
   84    86    96    85    88    95    80  
   81    82    83    84    85    92    95    98  
   82    83    95  
   83    95  
   95  
   86    87    90    91    94    96    97    85    88    95  
   88    89    92    93    95    98    86    96  
   87    90    91    94    96    97  
   90    91    94    96  
   89    92    93    95    98  
   92    93    95    98  
   91    94    96    97  
   94    96  
   93    95    98  
   95    98  
   96    97  
   98  
   97  
    0  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   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  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   78   3.5000   0.0660   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   85   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   86   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   87   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   88   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   90   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   91   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   92   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   93   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   94   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   95   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   96   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   97   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   98   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
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   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    41   465.000  1.376
   41    42   745.000  1.250
   41    47   440.000  1.360
   47    48   320.000  1.410
   48    49   268.000  1.529
   48    51   268.000  1.529
   48    55   268.000  1.529
   49    50   340.000  1.090
   49    59   268.000  1.529
   49    40   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   317.000  1.522
   62    63   570.000  1.229
   62    64   317.000  1.522
   64    65   268.000  1.529
   64    95   275.000  1.510
   64    67   268.000  1.529
   65    66   340.000  1.090
   65    71   268.000  1.529
   65    40   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   268.000  1.529
   77    78   268.000  1.529
   77    95   275.000  1.510
   77    80   268.000  1.529
   78    79   340.000  1.090
   78    84   285.000  1.502
   78    85   320.000  1.410
   84    86   469.000  1.424
   84    96   546.000  1.367
   86    87   367.000  1.080
   86    90   546.000  1.367
   90    91   367.000  1.080
   90    94   340.000  1.360
   94    96   340.000  1.360
   96    97   367.000  1.080
   85    88   214.000  1.327
   88    89   570.000  1.229
   88    92   290.000  1.496
   92    93   340.000  1.088
   92    95   260.000  1.509
   92    98   335.000  1.432
   95    98   335.000  1.432
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   40    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   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    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    41    70.00000  124.00000
   33    40    49    58.35000  112.70000
   33    40    65    58.35000  112.70000
   33    40    43    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    41    42    65.00000  137.10300
   38    41    47    80.00000  120.01400
   41    38    39    40.00000  120.50800
   41    47    48    90.00000  111.18400
   47    41    42    65.00000  121.00000
   47    48    49    50.00000  109.50000
   47    48    51    50.00000  109.50000
   47    48    55    50.00000  109.50000
   48    49    50    37.50000  110.70000
   48    49    59    58.35000  112.70000
   48    49    40    58.35000  112.70000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    54    37.50000  110.70000
   48    55    56    37.50000  110.70000
   48    55    57    37.50000  110.70000
   48    55    58    37.50000  110.70000
   49    59    60    37.50000  110.70000
   49    59    61    37.50000  110.70000
   49    59    62    63.00000  111.10000
   49    40    65    58.35000  112.70000
   49    40    43    58.35000  112.70000
   59    49    50    37.50000  110.70000
   59    62    63    80.00000  120.40000
   59    62    64    70.00000  116.00000
   61    59    60    33.00000  107.80000
   62    59    60    35.00000  109.50000
   62    59    61    35.00000  109.50000
   62    64    65    63.00000  111.10000
   62    64    95    63.00000  111.10000
   62    64    67    63.00000  111.10000
   64    62    63    80.00000  120.40000
   64    65    66    37.50000  110.70000
   64    65    71    58.35000  112.70000
   64    65    40    58.35000  112.70000
   64    95    77    58.35000  112.70000
   64    95    92    60.00000  120.94000
   64    95    98    80.00000  116.47100
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    37.50000  110.70000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    74    58.35000  112.70000
   65    40    43    58.35000  112.70000
   71    65    66    37.50000  110.70000
   71    74    75    37.50000  110.70000
   71    74    76    37.50000  110.70000
   71    74    77    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    37.50000  110.70000
   74    71    73    37.50000  110.70000
   74    77    78    58.35000  112.70000
   74    77    95    70.00000  112.37300
   74    77    80    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    37.50000  110.70000
   77    74    76    37.50000  110.70000
   77    78    79    37.50000  110.70000
   77    78    84    70.00000  112.17500
   77    78    85    50.00000  109.50000
   77    95    92    60.00000  120.94000
   77    95    98    80.00000  116.47100
   77    80    81    37.50000  110.70000
   77    80    82    37.50000  110.70000
   77    80    83    37.50000  110.70000
   78    84    86    60.00000  130.00000
   78    84    96    60.00000  130.00000
   78    85    88    83.00000  116.90000
   84    78    79    35.00000  109.50000
   84    86    87    35.00000  127.50000
   84    86    90    70.00000  107.30000
   84    96    94    70.00000  110.60000
   84    96    97    35.00000  132.10000
   86    90    91    35.00000  132.10000
   86    90    94    70.00000  110.60000
   90    86    87    35.00000  125.70000
   90    94    96    70.00000  106.50000
   94    90    91    35.00000  113.40000
   94    96    97    35.00000  113.40000
   96    84    86    70.00000  107.30000
   85    78    79    35.00000  109.50000
   85    78    84    85.00000  111.85700
   85    88    89    83.00000  123.40000
   85    88    92    81.00000  111.40000
   88    92    93    40.00000  116.18000
   88    92    95    65.00000  117.18000
   88    92    98    80.00000  114.91000
   92    88    89    75.00000  121.36600
   92    95    98    15.00000   60.43100
   92    98    95    15.00000   59.14900
   95    64    65    70.00000  112.37300
   95    77    78    70.00000  112.37300
   95    92    93    37.50000  117.20000
   98    92    93    50.00000  114.27700
   98    92    95    15.00000   60.43100
   80    77    78    58.35000  112.70000
   80    77    95    70.00000  112.37300
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    49    50    37.50000  110.70000
   40    49    59    58.35000  112.70000
   40    65    66    37.50000  110.70000
   40    65    71    58.35000  112.70000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    46    37.50000  110.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   67    64    65    58.35000  112.70000
   67    64    95    70.00000  112.37300
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   51    48    49    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   55    48    49    58.35000  112.70000
   55    48    51    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    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   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    41   0.42700  1.0 1.0
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   67    64    95    77  -0.07550 -1.0 2.0
   67    64    95    77   0.20000  1.0 3.0
   67    64    95    92   0.07850  1.0 1.0
   67    64    95    92  -0.03950 -1.0 2.0
   67    64    95    92   0.67350  1.0 3.0
   67    64    95    98   0.02550  1.0 1.0
   67    64    95    98  -0.02600 -1.0 2.0
   67    64    95    98   1.20400  1.0 3.0
   51    48    49    50   0.15000  1.0 3.0
   51    48    49    59   0.56750  1.0 1.0
   51    48    49    59  -0.07550 -1.0 2.0
   51    48    49    59   0.20000  1.0 3.0
   51    48    49    40   0.56750  1.0 1.0
   51    48    49    40  -0.07550 -1.0 2.0
   51    48    49    40   0.20000  1.0 3.0
   51    48    55    56   0.15000  1.0 3.0
   51    48    55    57   0.15000  1.0 3.0
   51    48    55    58   0.15000  1.0 3.0
   55    48    49    50   0.15000  1.0 3.0
   55    48    49    59   0.56750  1.0 1.0
   55    48    49    59  -0.07550 -1.0 2.0
   55    48    49    59   0.20000  1.0 3.0
   55    48    49    40   0.56750  1.0 1.0
   55    48    49    40  -0.07550 -1.0 2.0
   55    48    49    40   0.20000  1.0 3.0
   55    48    51    52   0.15000  1.0 3.0
   55    48    51    53   0.15000  1.0 3.0
   55    48    51    54   0.15000  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
   33    39    38    41   1.10000 -1.0 2.0
   42    47    41    38   1.10000 -1.0 2.0
   59    64    62    63  10.50000 -1.0 2.0
   86    96    84    78   4.00000 -1.0 2.0
   90    87    86    84   1.10000 -1.0 2.0
   94    91    90    86   1.10000 -1.0 2.0
   94    97    96    84   1.10000 -1.0 2.0
   85    92    88    89  10.50000 -1.0 2.0
END
