* LIGAND DATABASE FILE (OPLS2005)
*
001      92    93    165    250     474
    1     0 S   NP   _N1_     1    30.08316    93.66608   -25.05853
    2     1 S   H    _HN1     2     1.02954    86.73365    10.05770
    3     1 S   H    _H1_     3     1.02825    20.70549  -159.21143
    4     1 S   H    _H2_     4     1.02787   119.55577   -99.21537
    5     1 S   CT   _CA1     5     1.50124   116.10299   121.18392
    6     5 S   HC   _HA1     6     1.09574   105.18874    81.00216
    7     5 S   CO3  _C1_     7     1.53780   112.49552   -39.18782
    8     7 S   O2Z  _O11     8     1.26367   115.01489   -41.68649
    9     7 S   O2Z  _O12     9     1.26244   114.94377   137.42803
   10     5 S   CT   _CB1    10     1.53062   107.38975  -161.05863
   11    10 S   HC   HB11    11     1.09834   109.30050   -50.05258
   12    10 S   HC   HB12    12     1.09816   110.44580    66.51461
   13    10 S   CT   _CG1    13     1.52993   112.67940  -171.08350
   14    13 S   HC   HG11    14     1.09582   110.58722   -66.01091
   15    13 S   HC   HG12    15     1.09664   109.85906    53.26891
   16    13 S   C    _CD1    16     1.51760   112.19542   173.62077
   17    16 S   O    _OE1    17     1.22728   123.28263     4.38642
   18    16 S   N    _N2_    18     1.38660   111.72882  -175.42988
   19    18 S   H    _HN2    19     1.01563   119.02793     1.93472
   20    18 S   CT1  _CA2    20     1.46020   123.20516   177.89411
   21    20 S   HC   _HA2    21     1.09381   109.15437     4.84735
   22    20 S   C    _C2_    22     1.53500   108.48587  -109.91400
   23    22 S   O    _O2_    23     1.23048   122.41569  -142.12534
   24    20 S   CT   _CB2    32     1.53218   111.85798   127.40530
   25    24 S   HC   HB21    33     1.09686   109.37878    61.90966
   26    24 S   HC   HB22    34     1.09516   110.95773   178.50354
   27    22 S   N    _N3_    24     1.38371   113.53043    45.13641
   28    27 S   H    _HN3    25     1.01575   119.66479    -3.25822
   29    24 S   S    _SG2    35     1.83287   115.27747   -57.43774
   30    27 S   CT   _CA3    26     1.45280   123.09698   176.66933
   31    30 S   HC   HA31    27     1.09557   107.84018   -55.64525
   32    30 S   HC   HA32    28     1.09546   107.68541    60.70098
   33    29 S   CT   _C19    36     1.84366   101.60939   -62.12592
   34    33 S   HC   _H6_    37     1.09134   107.05898    59.54212
   35    30 S   CO3  _C3_    29     1.52920   114.07506  -177.85160
   36    35 S   O2Z  _O31    30     1.26376   116.06013    -9.56705
   37    35 S   O2Z  _O32    31     1.26434   114.45212   170.69840
   38    33 S   CM   _C18    38     1.50959   109.32140   -62.78986
   39    38 S   HC   _H18    39     1.09039   115.69450   -57.40863
   40    33 S   CT   _C20    87     1.53284   107.83636   176.55508
   41    40 S   HC   _H19    88     1.09817   111.41556    65.83643
   42    40 S   HC   _H20    89     1.09815   110.81895   -53.26782
   43    38 S   CM   _C17    40     1.34314   127.89560   122.32272
   44    43 S   HC   _H17    41     1.08873   117.27491  -178.73267
   45    40 S   CO3  _C21    90     1.53099   111.04710  -171.56811
   46    45 S   O2Z  _O36    91     1.26342   114.94941  -120.76302
   47    45 S   O2Z  _O35    92     1.26303   115.42494    60.16512
   48    43 S   CM   _C16    42     1.44428   126.54656     1.43258
   49    48 S   HC   _H16    43     1.08563   118.17235     7.83697
   50    48 S   CM   _C15    44     1.34158   123.06588  -172.21606
   51    50 S   HC   _H15    45     1.08766   119.86458    -0.02798
   52    50 S   CT   _C14    46     1.50847   123.33732  -179.84423
   53    52 S   HC   _H5_    47     1.09859   108.51702    12.13359
   54    52 S   C3T  _C22    48     1.51373   114.12583  -110.81524
   55    52 S   OS   _O34    57     1.44586   106.03672   128.56172
   56    54 S   C3T  _C23    49     1.51530   119.16559   133.26643
   57    56 S   HC   _H21    50     1.08262   119.19812     5.27630
   58    56 S   HC   _H22    51     1.08273   118.96113   153.15248
   59    54 S   CT   _C24    53     1.49870   118.53920   -68.15455
   60    59 S   HC   _H23    54     1.09429   111.03651    56.08292
   61    59 S   HC   _H24    55     1.09458   110.52191   -64.24597
   62    59 S   HC   _H25    56     1.09558   111.67460   176.03731
   63    55 S   CO4  _C13    58     1.36377   117.84625  -151.00012
   64    63 S   O    _O33    59     1.22414   126.00534    -3.16273
   65    54 S   O3T  _O37    52     1.43760   113.31627    68.18935
   66    63 S   CT1  _C12    60     1.52368   109.14850   174.38389
   67    66 S   HC   _H4_    61     1.09682   109.04216    25.57550
   68    66 S   CT   _C5_    62     1.54591   110.87122   -97.56503
   69    68 S   HC   _H3_    63     1.09955   108.12399   -60.16090
   70    66 S   N    _N4_    79     1.46011   105.16015   141.15343
   71    70 S   H    _H26    80     1.01587   117.85099    80.50459
   72    68 S   CA   _C6_    64     1.52285   111.93609    58.78026
   73    68 S   CT   _C4_    75     1.53553   111.62199  -176.94373
   74    73 S   HC   _H7_    76     1.09543   111.86092   -57.09585
   75    73 S   HC   _H8_    77     1.09598   110.93393  -177.45593
   76    73 S   HC   _H9_    78     1.09507   111.02959    63.17108
   77    70 S   C    _C25    81     1.38361   122.78723   -92.12746
   78    77 S   O    _O38    82     1.22776   125.42331    -1.13677
   79    72 S   CA   _C7_    65     1.40395   121.74678    63.96301
   80    79 S   HA   _H10    66     1.08696   120.59080     1.20739
   81    77 S   CT   _C26    83     1.50458   112.52434   177.64607
   82    81 S   HC   _H27    84     1.09382   110.56083    42.83422
   83    81 S   HC   _H28    85     1.09350   109.59782   162.44178
   84    81 S   HC   _H29    86     1.09331   109.33608   -77.71515
   85    79 S   CA   _C8_    67     1.39647   120.65509  -177.99435
   86    85 S   HA   _H11    68     1.08616   119.95953   179.56749
   87    85 S   CA   _C9_    69     1.39266   120.10585    -0.09891
   88    87 S   HA   _H12    70     1.08636   120.23579   179.60140
   89    87 S   CA   _C10    71     1.39252   119.86603    -0.12820
   90    89 S   HA   _H13    72     1.08648   119.89414   179.80820
   91    72 S   CA   _C11    73     1.40345   119.67057  -114.23524
   92    91 S   HA   _H14    74     1.08731   120.57190    -1.22589
  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
  12   7   2   1   1  10   4   6   4   3   6   3   2   1   1   7
   3   9   4  14   6  10   9   7   3   2   4   3   2   1  10   4
   1  15   7  15   8   9   3  13   5   2   1   1   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    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    43    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    48    40    41    42    45    46    47  
   38    39    43    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    48    49    50    40    41    42    45  
   43    44    48    40  
   41    42    45    46    47    43  
   42    45    46    47  
   45    46    47  
   44    48    49    50    51    52  
   48    49    50  
   46    47  
   47  
    0  
   49    50    51    52    53    54    55  
   50    51    52  
   51    52    53    54    56    65    59    55    63  
   52    53    54    55  
   53    54    56    57    58    65    59    60    61    62    55    63    64    66  
   54    56    65    59    55    63  
   56    57    58    65    59    60    61    62    55    63  
   63    64    66    67    68    70    56    59    65  
   57    58    65    59    60    61    62  
   58    65    59  
   65    59  
   60    61    62    65  
   61    62    65  
   62    65  
   65  
   64    66    67    68    69    72    73    70    71    77  
   66    67    68    70  
    0  
   67    68    69    72    79    91    73    74    75    76    70    71    77    78    81  
   68    69    72    73    70    71    77  
   69    72    79    80    85    89    91    92    73    74    75    76    70    71    77  
   72    79    91    73    74    75    76    70  
   71    77    78    81    82    83    84    72    73  
   77    78    81  
   79    80    85    86    87    89    90    91    92    73    74    75    76  
   74    75    76    79    91  
   75    76  
   76  
    0  
   78    81    82    83    84  
   81    82    83    84  
   80    85    86    87    88    89    91    92  
   85    86    87    91  
   82    83    84  
   83    84  
   84  
    0  
   86    87    88    89    90    91  
   87    88    89  
   88    89    90    91    92  
   89    90    91  
   90    91    92  
   91    92  
   92  
    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  -0.115000   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  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.305500   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5000   0.0660   0.159700   1.9750   1.7500   0.005000000  -0.741685710
   55   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0660   0.056200   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   71   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   72   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
   87   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   88   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   89   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   90   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   91   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   92   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    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    43   549.000  1.340
   43    44   340.000  1.080
   43    48   380.000  1.444
   48    49   340.000  1.080
   48    50   549.000  1.340
   50    51   340.000  1.080
   50    52   317.000  1.510
   52    53   340.000  1.090
   52    54   275.000  1.510
   52    55   320.000  1.410
   54    56   260.000  1.509
   54    65   335.000  1.432
   54    59   275.000  1.510
   56    57   340.000  1.088
   56    58   340.000  1.088
   56    65   335.000  1.432
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   55    63   214.000  1.327
   63    64   570.000  1.229
   63    66   255.000  1.522
   66    67   340.000  1.090
   66    68   268.000  1.529
   66    70   337.000  1.449
   68    69   340.000  1.090
   68    72   317.000  1.510
   68    73   268.000  1.529
   72    79   469.000  1.400
   72    91   469.000  1.400
   79    80   367.000  1.080
   79    85   469.000  1.400
   85    86   367.000  1.080
   85    87   469.000  1.400
   87    88   367.000  1.080
   87    89   469.000  1.400
   89    90   367.000  1.080
   89    91   469.000  1.400
   91    92   367.000  1.080
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   70    71   434.000  1.010
   70    77   490.000  1.335
   77    78   570.000  1.229
   77    81   317.000  1.522
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   317.000  1.522
   45    46   656.000  1.250
   45    47   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  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    70.00000  109.69300
   38    33    34    35.00000  109.50000
   38    43    44    35.00000  120.00000
   38    43    48    70.00000  123.01800
   43    38    39    35.00000  120.00000
   43    48    49    35.00000  120.00000
   43    48    50    70.00000  123.01800
   48    43    44    35.00000  120.00000
   48    50    51    35.00000  120.00000
   48    50    52    70.00000  124.00000
   50    48    49    35.00000  120.00000
   50    52    53    35.00000  109.50000
   50    52    54    70.00000  112.02700
   50    52    55    85.00000  110.90400
   52    50    51    35.00000  117.00000
   52    54    56    60.00000  120.94000
   52    54    65    80.00000  116.47100
   52    54    59    58.35000  112.70000
   52    55    63    83.00000  116.90000
   54    52    53    45.00000  109.38400
   54    56    57    37.50000  117.20000
   54    56    58    37.50000  117.20000
   54    56    65    15.00000   60.43100
   54    65    56    15.00000   59.14900
   54    59    60    45.00000  109.38400
   54    59    61    45.00000  109.38400
   54    59    62    45.00000  109.38400
   58    56    57    35.00000  114.30000
   65    54    56    15.00000   60.43100
   65    56    57    50.00000  114.27700
   65    56    58    50.00000  114.27700
   59    54    56    60.00000  120.94000
   59    54    65    80.00000  116.47100
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   55    52    53    35.00000  109.50000
   55    52    54    50.00000  109.50000
   55    63    64    83.00000  123.40000
   55    63    66    90.00000  109.72300
   63    66    67    45.00000  110.09800
   63    66    68    70.00000  110.61500
   63    66    70    80.00000  110.29000
   66    63    64    75.00000  123.42600
   66    68    69    37.50000  110.70000
   66    68    72    63.00000  114.00000
   66    68    73    58.35000  112.70000
   66    70    71    38.00000  118.40000
   66    70    77    50.00000  121.90000
   68    66    67    37.50000  110.70000
   68    72    79    70.00000  120.00000
   68    72    91    70.00000  120.00000
   68    73    74    37.50000  110.70000
   68    73    75    37.50000  110.70000
   68    73    76    37.50000  110.70000
   72    68    69    35.00000  109.50000
   72    79    80    35.00000  120.00000
   72    79    85    63.00000  120.00000
   72    91    89    63.00000  120.00000
   72    91    92    35.00000  120.00000
   79    85    86    35.00000  120.00000
   79    85    87    63.00000  120.00000
   85    79    80    35.00000  120.00000
   85    87    88    35.00000  120.00000
   85    87    89    63.00000  120.00000
   87    85    86    35.00000  120.00000
   87    89    90    35.00000  120.00000
   87    89    91    63.00000  120.00000
   89    87    88    35.00000  120.00000
   89    91    92    35.00000  120.00000
   91    72    79    63.00000  120.00000
   91    89    90    35.00000  120.00000
   73    68    69    37.50000  110.70000
   73    68    72    70.00000  112.17500
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   70    66    67    35.00000  109.50000
   70    66    68    80.00000  109.70000
   70    77    78    80.00000  122.90000
   70    77    81    70.00000  116.60000
   77    70    71    35.00000  119.80000
   77    81    82    35.00000  109.50000
   77    81    83    35.00000  109.50000
   77    81    84    35.00000  109.50000
   81    77    78    80.00000  120.40000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    45    46    70.00000  117.00000
   40    45    47    70.00000  117.00000
   42    40    41    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    35.00000  109.50000
   47    45    46    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  -0.62250  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    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    48   7.00000 -1.0 2.0
   33    40    45    46   0.41150 -1.0 2.0
   33    40    45    47   0.41150 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    45  -0.11250  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    45  -0.98800  1.0 1.0
   38    33    40    45   0.48800 -1.0 2.0
   38    33    40    45   0.76800  1.0 3.0
   38    43    48    49  -0.18600  1.0 3.0
   38    43    48    50   0.28850  1.0 1.0
   38    43    48    50   2.61350 -1.0 2.0
   38    43    48    50   0.78400  1.0 3.0
   39    38    43    44   7.00000 -1.0 2.0
   39    38    43    48   7.00000 -1.0 2.0
   43    48    50    51   7.00000 -1.0 2.0
   43    48    50    52   7.00000 -1.0 2.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    50  -0.18600  1.0 3.0
   48    50    52    53   0.00000  1.0 1.0
   48    50    52    54   0.09850  1.0 1.0
   48    50    52    54   0.15250 -1.0 2.0
   48    50    52    54  -0.50650  1.0 3.0
   48    50    52    55   0.39000  1.0 1.0
   48    50    52    55  -0.05800 -1.0 2.0
   48    50    52    55  -0.55150  1.0 3.0
   49    48    50    51   7.00000 -1.0 2.0
   49    48    50    52   7.00000 -1.0 2.0
   50    52    54    56   0.34400  1.0 1.0
   50    52    54    56   0.09450 -1.0 2.0
   50    52    54    56   0.11100  1.0 3.0
   50    52    54    65   0.61850  1.0 1.0
   50    52    54    65  -0.22750 -1.0 2.0
   50    52    54    65   0.15300  1.0 3.0
   50    52    54    59   0.34400  1.0 1.0
   50    52    54    59   0.09450 -1.0 2.0
   50    52    54    59   0.11100  1.0 3.0
   50    52    55    63  -0.82050  1.0 1.0
   50    52    55    63   0.00600 -1.0 2.0
   50    52    55    63   0.04400  1.0 3.0
   51    50    52    53   0.33100  1.0 3.0
   51    50    52    54   0.00000  1.0 1.0
   51    50    52    55   0.00000  1.0 1.0
   52    54    56    57   0.15000  1.0 3.0
   52    54    56    58   0.15000  1.0 3.0
   52    54   -56    65   0.02550  1.0 1.0
   52    54   -56    65  -0.02600 -1.0 2.0
   52    54   -56    65   1.20400  1.0 3.0
   52    54   -65    56   0.06250  1.0 1.0
   52    54   -65    56  -0.01100 -1.0 2.0
   52    54   -65    56   0.28050  1.0 3.0
   52    54    59    60   0.15000  1.0 3.0
   52    54    59    61   0.15000  1.0 3.0
   52    54    59    62   0.15000  1.0 3.0
   52    55    63    64   3.00000 -1.0 2.0
   52    55    63    66   1.63150  1.0 1.0
   52    55    63    66   2.92000 -1.0 2.0
   53    52    54    56   0.15000  1.0 3.0
   53    52    54    65   0.23400  1.0 3.0
   53    52    54    59   0.15000  1.0 3.0
   53    52    55    63   0.08050  1.0 3.0
   54    52    55    63  -0.25900  1.0 1.0
   54    52    55    63  -0.47000 -1.0 2.0
   54    52    55    63   0.11750  1.0 3.0
   56    54    59    60   0.15000  1.0 3.0
   56    54    59    61   0.15000  1.0 3.0
   56    54    59    62   0.15000  1.0 3.0
   57    56   -65    54   0.36800  1.0 3.0
   58    56   -65    54   0.36800  1.0 3.0
   65    54   -56    57   0.23400  1.0 3.0
   65    54   -56    58   0.23400  1.0 3.0
   65    54    59    60   0.23400  1.0 3.0
   65    54    59    61   0.23400  1.0 3.0
   65    54    59    62   0.23400  1.0 3.0
   59    54    56    57   0.15000  1.0 3.0
   59    54    56    58   0.15000  1.0 3.0
   59    54   -56    65   0.02550  1.0 1.0
   59    54   -56    65  -0.02600 -1.0 2.0
   59    54   -56    65   1.20400  1.0 3.0
   59    54   -65    56   0.06250  1.0 1.0
   59    54   -65    56  -0.01100 -1.0 2.0
   59    54   -65    56   0.28050  1.0 3.0
   55    52    54    56  -0.26800  1.0 1.0
   55    52    54    56   0.69150 -1.0 2.0
   55    52    54    56  -0.48750  1.0 3.0
   55    52    54    65   1.11900  1.0 1.0
   55    52    54    65  -1.16350 -1.0 2.0
   55    52    54    65  -0.34150  1.0 3.0
   55    52    54    59   0.62750  1.0 1.0
   55    52    54    59  -0.30950 -1.0 2.0
   55    52    54    59   0.27300  1.0 3.0
   55    63    66    67   0.00000  1.0 1.0
   55    63    66    68   0.36750  1.0 3.0
   55    63    66    70   0.40000  1.0 3.0
   63    66    68    69  -0.03800  1.0 3.0
   63    66    68    72  -0.84850  1.0 1.0
   63    66    68    72  -0.22800 -1.0 2.0
   63    66    68    72   0.29250  1.0 3.0
   63    66    68    73  -0.84850  1.0 1.0
   63    66    68    73  -0.22800 -1.0 2.0
   63    66    68    73   0.29250  1.0 3.0
   63    66    70    71   0.00000  1.0 1.0
   63    66    70    77  -0.29800  1.0 1.0
   63    66    70    77   0.13950 -1.0 2.0
   63    66    70    77  -2.45650  1.0 3.0
   64    63    66    67   0.00000  1.0 1.0
   64    63    66    68   0.00000  1.0 1.0
   64    63    66    70   0.00000  1.0 1.0
   66    68    72    79   0.00000  1.0 1.0
   66    68    72    91   0.00000  1.0 1.0
   66    68    73    74   0.15000  1.0 3.0
   66    68    73    75   0.15000  1.0 3.0
   66    68    73    76   0.15000  1.0 3.0
   66    70    77    78   3.04450 -1.0 2.0
   66    70    77    81   1.15000  1.0 1.0
   66    70    77    81   3.04450 -1.0 2.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    68    72   0.23100  1.0 3.0
   67    66    68    73   0.15000  1.0 3.0
   67    66    70    71   0.00000  1.0 1.0
   67    66    70    77   0.00000  1.0 1.0
   68    66    70    71   0.00000  1.0 1.0
   68    66    70    77   0.25950  1.0 1.0
   68    66    70    77   0.43850 -1.0 2.0
   68    66    70    77   2.61650  1.0 3.0
   68    72    79    80   3.62500 -1.0 2.0
   68    72    79    85   3.62500 -1.0 2.0
   68    72    91    89   3.62500 -1.0 2.0
   68    72    91    92   3.62500 -1.0 2.0
   69    68    72    79   0.00000  1.0 1.0
   69    68    72    91   0.00000  1.0 1.0
   69    68    73    74   0.15000  1.0 3.0
   69    68    73    75   0.15000  1.0 3.0
   69    68    73    76   0.15000  1.0 3.0
   72    68    73    74   0.43200  1.0 3.0
   72    68    73    75   0.43200  1.0 3.0
   72    68    73    76   0.43200  1.0 3.0
   72    79    85    86   3.62500 -1.0 2.0
   72    79    85    87   3.62500 -1.0 2.0
   79    72    91    89   3.62500 -1.0 2.0
   79    72    91    92   3.62500 -1.0 2.0
   79    85    87    88   3.62500 -1.0 2.0
   79    85   -87    89   3.62500 -1.0 2.0
   80    79    85    86   3.62500 -1.0 2.0
   80    79    85    87   3.62500 -1.0 2.0
   85    87    89    90   3.62500 -1.0 2.0
   85    87    89    91   3.62500 -1.0 2.0
   86    85    87    88   3.62500 -1.0 2.0
   86    85    87    89   3.62500 -1.0 2.0
   87    89   -91    72   3.62500 -1.0 2.0
   87    89    91    92   3.62500 -1.0 2.0
   88    87    89    90   3.62500 -1.0 2.0
   88    87    89    91   3.62500 -1.0 2.0
   90    89    91    72   3.62500 -1.0 2.0
   90    89    91    92   3.62500 -1.0 2.0
   91    72    79    80   3.62500 -1.0 2.0
   91    72   -79    85   3.62500 -1.0 2.0
   73    68    72    79   0.04150 -1.0 2.0
   73    68    72    91   0.04150 -1.0 2.0
   70    66    68    69   0.23200  1.0 3.0
   70    66    68    72   0.42250  1.0 1.0
   70    66    68    72  -0.48100 -1.0 2.0
   70    66    68    72   0.35650  1.0 3.0
   70    66    68    73   0.42250  1.0 1.0
   70    66    68    73  -0.48100 -1.0 2.0
   70    66    68    73   0.35650  1.0 3.0
   70    77    81    82   0.00000  1.0 1.0
   70    77    81    83   0.00000  1.0 1.0
   70    77    81    84   0.00000  1.0 1.0
   71    70    77    78   2.45000 -1.0 2.0
   71    70    77    81   2.45000 -1.0 2.0
   78    77    81    82   0.00000  1.0 1.0
   78    77    81    83   0.00000  1.0 1.0
   78    77    81    84   0.00000  1.0 1.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    43   0.09850  1.0 1.0
   40    33    38    43   0.15250 -1.0 2.0
   40    33    38    43  -0.50650  1.0 3.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    47   0.00000  1.0 1.0
   42    40    45    46   0.00000  1.0 1.0
   42    40    45    47   0.00000  1.0 1.0
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    43  15.00000 -1.0 2.0
   48    44    43    38  15.00000 -1.0 2.0
   43    49    48    50  15.00000 -1.0 2.0
   52    51    50    48  15.00000 -1.0 2.0
   55    66    63    64  10.50000 -1.0 2.0
   79    91    72    68   4.00000 -1.0 2.0
   85    80    79    72   1.10000 -1.0 2.0
   87    86    85    79   1.10000 -1.0 2.0
   89    88    87    85   1.10000 -1.0 2.0
   91    90    89    87   1.10000 -1.0 2.0
   89    92    91    72   1.10000 -1.0 2.0
   71    77    70    66   1.00000 -1.0 2.0
   70    81    77    78  10.50000 -1.0 2.0
   46    40    45    47  10.50000 -1.0 2.0
END
