* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    146    220     412
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02063   106.61712   -15.41716
    3     1 S   H    _H1_     3     1.02154    56.71989    86.34803
    4     1 S   H    _H2_     4     1.02100    55.39472  -116.97456
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08584   110.00631   179.17671
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C17    36     1.86552    96.81719   161.87495
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C12    37     1.54791   107.05548   159.99607
   38    33 S   CT   _C19    73     1.54321   106.95244    39.41127
   39    38 S   HC   _H18    74     1.08382   109.10643    37.15036
   40    38 S   HC   _H19    75     1.08481   109.12844   -83.75399
   41    37 S   N4   _N8_    38     1.36557   118.18015   103.98723
   42    37 S   CMA  _C13    69     1.34674   122.28348   -72.11841
   43    42 S   OM   _O4_    70     1.26353   126.14845  -179.84677
   44    38 S   OS   _O7_    76     1.41043   107.89216   156.71559
   45    41 S   C4   _C5_    39     1.35453   137.65182  -162.24387
   46    45 S   O    _O1_    40     1.20866   134.40702    -3.63367
   47    41 S   C4T  _C16    43     1.45058   125.73007    22.92589
   48    47 S   HC   _H14    44     1.09779   112.45003    74.49862
   49    42 S   OH   _O5_    71     1.40650   111.54929     0.17914
   50    49 S   HO   _H11    72     0.97354   105.31125  -180.00000
   51    44 S   CO4  _C14    77     1.37209   116.23211  -179.95154
   52    51 S   O    _O6_    78     1.22355   125.65022    -0.04846
   53    45 S   C4T  _C4_    41     1.55335    89.62343   172.64723
   54    53 S   HC   _H4_    42     1.09582   112.95929   124.50404
   55    47 S   S    _S2_    45     1.80220   110.27716   -54.91277
   56    51 S   CT   _C18    79     1.49928   110.32334   179.97202
   57    56 S   HC   _H15    80     1.09288   109.78457   -90.00955
   58    56 S   HC   _H16    81     1.09272   109.84866   148.09517
   59    56 S   HC   _H17    82     1.09358   109.36613    29.00291
   60    33 S   CT   _C15    46     1.55645   106.33458   -74.62357
   61    60 S   HC   _H12    47     1.09665   111.80148    45.32268
   62    60 S   HC   _H13    48     1.09792   109.70500   162.55413
   63    53 S   N    _N4_    49     1.46290   113.42276  -108.39464
   64    63 S   H    _H3_    50     1.00812   116.83549   112.52623
   65    63 S   C    _C10    51     1.36627   122.22629   -68.17230
   66    65 S   O    _O33    52     1.22084   130.03387    -0.06853
   67    65 S   CD   _C9_    53     1.50665   111.83383   179.80517
   68    67 S   C5B  _C7_    54     1.48698   118.88514   -90.00305
   69    67 S   NI   _N6_    63     1.29908   120.25093    89.61463
   70    68 S   C5A  _C6_    55     1.37908   123.78508   180.00000
   71    70 S   HA   _H5_    56     1.08132   128.99376     0.00000
   72    69 S   OS   _O3_    64     1.40135   111.77010     0.10835
   73    70 S   SA   _S1_    57     1.71537   109.64571   179.78511
   74    72 S   CT   _C11    65     1.41968   108.10391   180.00000
   75    74 S   HC   _H6_    66     1.09282   109.51867   179.93439
   76    74 S   HC   _H7_    67     1.09331   109.49792    59.19632
   77    74 S   HC   _H8_    68     1.09224   108.96247   -60.42161
   78    73 S   CRA  _C8_    58     1.71698    89.15682     0.03426
   79    68 S   N5B  _N5_    59     1.38135   120.33382    -0.17694
   80    78 S   NE   _N7_    60     1.35956   119.26853   179.91607
   81    80 S   H    _H9_    61     1.02578   121.62271   176.91720
   82    80 S   H    _H10    62     1.02529   121.70630     3.17114
  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  18  12   4   3  12   6   2   7   9   4  10   5
   1   1   5   4   8   4   4   3   2   1   1   2   1   1   6   3
   7   3   9   8   7   5   3   4   5   3   2   1   1   4   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    60    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    55    60    61    62    42    38    39    40    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    45    47    55    60    61    62    42    43    49    38    39    40    44    51  
   35    36  
   36  
    0  
   41    45    46    53    47    48    55    60    61    62    42    43    49    50    38    39    40    44  
   39    40    44    51    52    56    41    42    55    60    61    62  
   40    44    51    60  
   44    51    60  
   45    46    53    54    47    48    55    60    63    42    43    49  
   43    49    50    45    47    60  
   49    50  
   51    52    56    57    58    59    60  
   46    53    54    47    48    55    63    64    65  
   53    54    47    63  
   48    55    60    61    62    63    64    65    53    54  
   55    60    63    53    54  
   50  
    0  
   52    56    57    58    59  
   56    57    58    59  
   54    55    60    63    64    65    66    67  
   55    63    64    65  
   60    61    62    63  
   57    58    59  
   58    59  
   59  
    0  
   61    62  
   62  
    0  
   64    65    66    67    68    69  
   65    66    67  
   66    67    68    70    79    69    72  
   67    68    69  
   68    70    71    73    78    79    69    72    74  
   70    71    73    78    79    80    69    72  
   72    74    75    76    77    70    79  
   71    73    78    79    80  
   73    78    79  
   74    75    76    77  
   78    79    80    81    82  
   75    76    77  
   76    77  
   77  
    0  
   79    80    81    82  
   80    81    82  
   81    82  
   82  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   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   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   41   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   42   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   47   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.0700   0.1700  -0.840200   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   51   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   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   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   64   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   65   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   67   3.7500   0.1050   0.389700   2.0020   1.7750   0.023028004  -0.852763146
   68   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
   69   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   70   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   72   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   73   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   74   3.5000   0.0660   0.042500   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0700   0.500900   2.0020   1.7750   0.001000000  -0.843144165
   79   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   80   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   81   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   82   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    60   268.000  1.529
   33    38   268.000  1.529
   37    41   400.000  1.384
   37    42   465.000  1.376
   41    45   440.000  1.369
   41    47   305.000  1.456
   45    46   930.000  1.212
   45    53   250.000  1.540
   53    54   340.000  1.090
   53    47   268.000  1.529
   53    63   337.000  1.449
   47    48   340.000  1.090
   47    55   200.000  1.824
   55    60   222.000  1.810
   60    61   340.000  1.090
   60    62   340.000  1.090
   63    64   434.000  1.010
   63    65   490.000  1.335
   65    66   570.000  1.229
   65    67   270.000  1.486
   67    68   305.000  1.466
   67    69   500.000  1.261
   68    70   520.000  1.370
   68    79   410.000  1.394
   70    71   367.000  1.080
   70    73   265.000  1.745
   73    78   250.000  1.765
   78    79   488.000  1.335
   78    80   420.000  1.385
   80    81   434.000  1.010
   80    82   434.000  1.010
   69    72   320.000  1.394
   72    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   42    43   745.000  1.250
   42    49   510.000  1.338
   49    50   553.000  0.945
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    44   320.000  1.410
   44    51   214.000  1.327
   51    52   570.000  1.229
   51    56   317.000  1.522
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   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    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    60    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    60    55    75.00000  111.63000
   33    60    61    37.50000  110.70000
   33    60    62    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    44    50.00000  109.50000
   37    41    45    50.00000  132.10000
   37    41    47    50.00000  132.70000
   37    42    43    65.00000  137.10300
   37    42    49    80.00000  121.38400
   41    45    46    75.00000  131.60000
   41    45    53    95.00000   92.72400
   41    47    53   105.00000   87.49700
   41    47    48    50.00000  112.01000
   41    47    55    80.00000  108.62000
   45    53    54    40.00000  113.37500
   45    53    47   100.00000   86.36000
   45    53    63    75.00000  110.24000
   53    45    46    60.00000  136.58000
   53    47    48    37.50000  110.70000
   53    47    55    65.00000  119.05700
   53    63    64    38.00000  118.40000
   53    63    65    50.00000  121.90000
   47    41    45   100.00000   93.00000
   47    53    54    37.50000  110.70000
   47    55    60    85.00000   99.86700
   55    47    48    45.00000  109.41400
   55    60    61    35.00000  109.50000
   55    60    62    35.00000  109.50000
   60    33    37    70.00000  112.02700
   62    60    61    33.00000  107.80000
   63    53    54    50.00000  112.01000
   63    53    47    80.00000  110.05700
   63    65    66    80.00000  122.90000
   63    65    67    75.00000  109.57000
   65    63    64    35.00000  119.80000
   65    67    68    75.00000  114.44000
   65    67    69    65.00000  123.79500
   67    65    66    80.00000  120.45000
   67    68    70    60.00000  121.09900
   67    68    79    60.00000  126.00000
   67    69    72   100.00000  109.52600
   68    70    71    35.00000  130.70000
   68    70    73    80.00000  111.29200
   68    79    78    70.00000  110.00000
   70    73    78   120.00000   89.04400
   73    70    71    40.00000  122.38200
   73    78    79    80.00000  114.57700
   73    78    80    70.00000  122.29500
   78    80    81    35.00000  113.50000
   78    80    82    35.00000  113.50000
   79    68    70    70.00000  111.00000
   80    78    79    75.00000  125.31200
   82    80    81    35.00000  109.00000
   69    67    68    65.00000  124.33800
   69    72    74   110.00000  106.71400
   72    74    75    35.00000  109.50000
   72    74    76    35.00000  109.50000
   72    74    77    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   42    37    41    75.00000  120.83300
   42    49    50    70.00000  107.45700
   49    42    43   115.00000  116.36000
   38    33    37    70.00000  112.02700
   38    33    60    58.35000  112.70000
   38    44    51    83.00000  116.90000
   40    38    39    33.00000  107.80000
   44    38    39    35.00000  109.50000
   44    38    40    35.00000  109.50000
   44    51    52    83.00000  123.40000
   44    51    56    81.00000  111.40000
   51    56    57    35.00000  109.50000
   51    56    58    35.00000  109.50000
   51    56    59    35.00000  109.50000
   56    51    52    80.00000  120.40000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    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    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    60   0.01700  1.0 1.0
   24    29    33    60  -0.23550 -1.0 2.0
   24    29    33    60   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    60    55   0.56750  1.0 1.0
   29    33    60    55  -0.07550 -1.0 2.0
   29    33    60    55   0.20000  1.0 3.0
   29    33    60    61   0.15000  1.0 3.0
   29    33    60    62   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    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   33    37    41    45   0.00000  1.0 1.0
   33    37    41    47   0.00000  1.0 1.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    49   7.00000 -1.0 2.0
   33    38    44    51  -0.25900  1.0 1.0
   33    38    44    51  -0.47000 -1.0 2.0
   33    38    44    51   0.11750  1.0 3.0
   37    33    60    55   0.56750  1.0 1.0
   37    33    60    55  -0.07550 -1.0 2.0
   37    33    60    55   0.20000  1.0 3.0
   37    33    60    61   0.15000  1.0 3.0
   37    33    60    62   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    44   0.61850  1.0 1.0
   37    33    38    44  -0.22750 -1.0 2.0
   37    33    38    44   0.15300  1.0 3.0
   37    41    45    46   3.00000 -1.0 2.0
   37    41    45    53   3.00000 -1.0 2.0
   37    41   -47    53   0.00000  1.0 1.0
   37    41    47    48   0.00000  1.0 1.0
   37    41   -47    55   0.00000  1.0 1.0
   37    42    49    50  -0.66100  1.0 1.0
   37    42    49    50   1.20850 -1.0 2.0
   37    42    49    50  -0.36000  1.0 3.0
   41    37    42    43   7.00000 -1.0 2.0
   41    37    42    49   7.00000 -1.0 2.0
   41    45    53    54   0.00000  1.0 1.0
   41    45   -53    47   3.00000 -1.0 2.0
   41    45    53    63   0.00000  1.0 1.0
   41    47    55    60   0.01700  1.0 1.0
   41    47    55    60  -0.23550 -1.0 2.0
   41    47    55    60   0.21350  1.0 3.0
   45    41   -47    53   0.00000  1.0 1.0
   45    41    47    48   0.00000  1.0 1.0
   45    41    47    55   0.00000  1.0 1.0
   45    53   -47    41   3.00000 -1.0 2.0
   45    53   -47    48   0.15000  1.0 3.0
   45    53   -47    55   0.00000  1.0 1.0
   45    53    63    64   0.00000  1.0 1.0
   45    53    63    65  -0.42300  1.0 1.0
   45    53    63    65  -0.07000 -1.0 2.0
   45    53    63    65   0.04150  1.0 3.0
   46    45    53    54   0.00000  1.0 1.0
   46    45    53    47  -0.11250  1.0 1.0
   46    45    53    47   0.11400 -1.0 2.0
   46    45    53    47  -0.28950  1.0 3.0
   46    45    53    63   0.30150 -1.0 2.0
   53    47    55    60   0.25150  1.0 1.0
   53    47    55    60  -1.17200 -1.0 2.0
   53    47    55    60   0.53050  1.0 3.0
   53    63    65    66   3.04450 -1.0 2.0
   53    63    65    67   1.49850  1.0 1.0
   53    63    65    67   1.53950 -1.0 2.0
   54    53   -47    41   0.15000  1.0 3.0
   54    53    47    48   0.15000  1.0 3.0
   54    53    47    55   0.00000  1.0 1.0
   54    53    63    64   0.00000  1.0 1.0
   54    53    63    65   0.00000  1.0 1.0
   47    41   -45    46   3.00000 -1.0 2.0
   47    41   -45    53   3.00000 -1.0 2.0
   47    53    63    64   0.00000  1.0 1.0
   47    53    63    65  -0.43950  1.0 1.0
   47    53    63    65  -0.08100 -1.0 2.0
   47    53    63    65   0.03350  1.0 3.0
   47    55   -60    33  -0.25000 -1.0 2.0
   47    55   -60    33  -0.01800  1.0 3.0
   47    55    60    61   0.32350  1.0 3.0
   47    55    60    62   0.32350  1.0 3.0
   48    47    55    60   0.00000  1.0 1.0
   60    33   -37    41  -0.93550  1.0 1.0
   60    33   -37    41   0.38900 -1.0 2.0
   60    33   -37    41   0.16950  1.0 3.0
   60    33    37    42   0.09850  1.0 1.0
   60    33    37    42   0.15250 -1.0 2.0
   60    33    37    42  -0.50650  1.0 3.0
   60    33    38    39   0.15000  1.0 3.0
   60    33    38    40   0.15000  1.0 3.0
   60    33    38    44   0.62750  1.0 1.0
   60    33    38    44  -0.30950 -1.0 2.0
   60    33    38    44   0.27300  1.0 3.0
   63    53   -47    41   2.20050  1.0 1.0
   63    53   -47    41   0.63450 -1.0 2.0
   63    53   -47    41  -0.91300  1.0 3.0
   63    53    47    48   0.15000  1.0 3.0
   63    53    47    55   0.00000  1.0 1.0
   63    65    67    68   1.50000 -1.0 2.0
   63    65    67    69   1.50000 -1.0 2.0
   64    63    65    66   2.45000 -1.0 2.0
   64    63    65    67   2.56700 -1.0 2.0
   65    67    68    70   0.30050 -1.0 2.0
   65    67    68    70   0.16600  1.0 3.0
   65    67    68    79   0.30050 -1.0 2.0
   65    67    68    79   0.16600  1.0 3.0
   65    67    69    72   6.00000 -1.0 2.0
   66    65    67    68   1.00000 -1.0 2.0
   66    65    67    69   1.00000 -1.0 2.0
   67    68    70    71   3.62500 -1.0 2.0
   67    68    70    73   3.62500 -1.0 2.0
   67    68    79    78   3.62500 -1.0 2.0
   67    69    72    74   1.50000 -1.0 2.0
   68    67    69    72   6.00000 -1.0 2.0
   68    70   -73    78   3.62500 -1.0 2.0
   70    68   -79    78   2.40000 -1.0 2.0
   70    73   -78    79   3.62500 -1.0 2.0
   70    73    78    80   3.62500 -1.0 2.0
   71    70    73    78   3.62500 -1.0 2.0
   73    78   -79    68   3.62500 -1.0 2.0
   73    78    80    81   0.47600 -1.0 2.0
   73    78    80    82   0.47600 -1.0 2.0
   79    68    70    71   3.62500 -1.0 2.0
   79    68   -70    73   3.62500 -1.0 2.0
   79    78    80    81   1.75000 -1.0 2.0
   79    78    80    82   1.75000 -1.0 2.0
   80    78    79    68   3.62500 -1.0 2.0
   69    67    68    70   1.02250 -1.0 2.0
   69    67    68    79   1.02250 -1.0 2.0
   69    72    74    75   0.37500  1.0 3.0
   69    72    74    76   0.37500  1.0 3.0
   69    72    74    77   0.37500  1.0 3.0
   42    37    41    45   0.00000  1.0 1.0
   42    37    41    47   0.00000  1.0 1.0
   43    42    49    50   2.00000 -1.0 2.0
   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    60    55   0.44750  1.0 1.0
   38    33    60    55  -0.17800 -1.0 2.0
   38    33    60    55   0.20200  1.0 3.0
   38    33    60    61   0.15000  1.0 3.0
   38    33    60    62   0.15000  1.0 3.0
   38    44    51    52   3.00000 -1.0 2.0
   38    44    51    56   1.63150  1.0 1.0
   38    44    51    56   2.92000 -1.0 2.0
   39    38    44    51   0.08050  1.0 3.0
   40    38    44    51   0.08050  1.0 3.0
   44    51    56    57   0.00000  1.0 1.0
   44    51    56    58   0.00000  1.0 1.0
   44    51    56    59   0.00000  1.0 1.0
   52    51    56    57   0.00000  1.0 1.0
   52    51    56    58   0.00000  1.0 1.0
   52    51    56    59   0.00000  1.0 1.0
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
   47    45    41    37   1.00000 -1.0 2.0
   41    53    45    46  10.50000 -1.0 2.0
   64    65    63    53   1.00000 -1.0 2.0
   63    67    65    66  10.50000 -1.0 2.0
   65    68    67    69  10.50000 -1.0 2.0
   70    79    68    67   4.00000 -1.0 2.0
   73    71    70    68   1.10000 -1.0 2.0
   79    80    78    73   4.00000 -1.0 2.0
   82    78    80    81   1.00000 -1.0 2.0
   43    49    42    37   1.10000 -1.0 2.0
   44    56    51    52  10.50000 -1.0 2.0
END
