* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    140    220     402
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02059    90.12283   -68.90866
    3     1 S   H    _H1_     3     1.02093    90.45190    39.78859
    4     1 S   H    _H2_     4     1.02085    32.85641   165.19399
    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     1.04724   118.98282     8.58904
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08448   106.40438   -11.12153
   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     1.08733   110.25787    59.12705
   26    24 S   HC   HB22    34     1.08755   109.66015   178.75008
   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   _C19    36     1.86050    98.15255  -158.20200
   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   _C13    37     1.55172   109.30928    59.96641
   38    33 S   CM   _C16    76     1.51604   106.63399   179.64668
   39    38 S   HC   _H14    77     1.08663   117.08619    31.20572
   40    37 S   N4   _N8_    38     1.36746   118.32503  -128.83779
   41    37 S   CMA  _C14    72     1.34860   122.22962    57.51683
   42    41 S   OM   _O6_    73     1.26422   126.11601     0.07133
   43    38 S   CM   _C15    78     1.33703   124.08542  -148.77709
   44    43 S   HC   _H12    79     1.08355   120.45630   180.00000
   45    43 S   HC   _H13    80     1.08470   121.51816     0.01978
   46    40 S   C4   _C5_    39     1.35490   137.34659  -161.91638
   47    46 S   O    _O1_    40     1.20892   134.39643    -7.34107
   48    40 S   C4T  _C18    43     1.45065   126.12470    16.71797
   49    48 S   HC   _H17    44     1.09515   112.94929    77.33571
   50    41 S   OH   _O7_    74     1.40679   111.62319  -180.00000
   51    50 S   HO   _H11    75     0.97303   105.33144  -179.98022
   52    46 S   C4T  _C4_    41     1.55100    89.78457   168.61727
   53    52 S   HC   _H4_    42     1.09561   112.53766   123.29897
   54    48 S   S    _S2_    45     1.80647   109.79338   -51.89190
   55    33 S   CT   _C17    46     1.55720   104.60082   -66.10913
   56    55 S   HC   _H15    47     1.07074   109.66947   -81.95290
   57    55 S   HC   _H16    48     1.06556   111.85733    40.43897
   58    52 S   N    _N4_    49     1.46304   113.24853  -110.30196
   59    58 S   H    _H3_    50     1.00742   116.85096   113.23168
   60    58 S   C    _C10    51     1.36639   122.17743   -67.36028
   61    60 S   O    _O33    52     1.22053   130.01707    -0.03956
   62    60 S   CD   _C9_    53     1.50645   111.82983   179.82086
   63    62 S   C5B  _C7_    54     1.48694   118.89630    89.96672
   64    62 S   NI   _N6_    63     1.29892   120.26535   -90.29920
   65    63 S   C5A  _C6_    55     1.38013   123.77034  -179.98022
   66    65 S   HA   _H5_    56     1.08035   128.96457     0.06561
   67    64 S   OS   _O5_    64     1.40232   111.72711     0.03426
   68    65 S   SA   _S1_    57     1.71497   109.61018   179.80719
   69    67 S   CT   _C12    65     1.41900   108.06874  -179.96574
   70    69 S   HC   _H6_    66     1.09311   108.32085   -60.71225
   71    69 S   HC   _H7_    67     1.09343   109.01200    59.26974
   72    68 S   CRA  _C8_    58     1.71663    89.16590     0.07913
   73    69 S   C    _C11    68     1.50374   109.81493   179.98022
   74    73 S   O    _O3_    69     1.22276   125.77572    -1.36544
   75    63 S   N5B  _N5_    59     1.38173   120.36187    -0.08847
   76    72 S   NE   _N7_    60     1.36036   119.27365   179.92087
   77    76 S   H    _H8_    61     1.02546   121.69926   176.88379
   78    76 S   H    _H9_    62     1.02597   121.64886     3.13762
   79    73 S   OH   _O4_    70     1.35664   110.25945   178.59584
   80    79 S   HO   _H10    71     0.98082   111.92330  -179.92338
  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  11   5   4   3
  16   2   1   1  17  10   4  12   6   2   3   1   1   9   4  10
   5   1   1   8   4   4   2   1   1   6   3   7   3   9   8   7
   5   3   6   5   6   4   3   4   3   2   3   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    55    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    54    55    56    57    41    38    39    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    46    48    54    55    56    57    41    42    50    38    39    43    44    45  
   35    36  
   36  
    0  
   40    46    47    52    48    49    54    55    56    57    41    42    50    51    38    39    43  
   39    43    44    45    40    41    54    55    56    57  
   43    44    45    55  
   46    47    52    53    48    49    54    55    58    41    42    50  
   42    50    51    46    48    55  
   50    51  
   44    45    55  
   45  
    0  
   47    52    53    48    49    54    58    59    60  
   52    53    48    58  
   49    54    55    56    57    58    59    60    52    53  
   54    55    58    52    53  
   51  
    0  
   53    54    55    58    59    60    61    62  
   54    58    59    60  
   55    56    57    58  
   56    57  
   57  
    0  
   59    60    61    62    63    64  
   60    61    62  
   61    62    63    65    75    64    67  
   62    63    64  
   63    65    66    68    72    75    64    67    69  
   65    66    68    72    75    76    64    67  
   67    69    70    71    73    65    75  
   66    68    72    75    76  
   68    72    75  
   69    70    71    73    74    79  
   72    75    76    77    78  
   70    71    73    74    79    80  
   71    73    74    79  
   73    74    79  
   75    76    77    78  
   74    79    80  
   79    80  
   76    77    78  
   77    78  
   78  
    0  
   80  
    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   3.5500   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   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   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   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.0700   0.1700  -0.840200   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   55   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   59   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   60   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   62   3.7500   0.1050   0.389700   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
   64   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   65   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   67   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   68   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   69   3.5000   0.0660   0.102500   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700   0.500900   2.0020   1.7750   0.001000000  -0.843144165
   73   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   75   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   76   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   77   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   78   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.450000   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    55   268.000  1.529
   33    38   317.000  1.510
   37    40   400.000  1.384
   37    41   465.000  1.376
   40    46   440.000  1.369
   40    48   305.000  1.456
   46    47   930.000  1.212
   46    52   250.000  1.540
   52    53   340.000  1.090
   52    48   268.000  1.529
   52    58   337.000  1.449
   48    49   340.000  1.090
   48    54   200.000  1.824
   54    55   222.000  1.810
   55    56   340.000  1.090
   55    57   340.000  1.090
   58    59   434.000  1.010
   58    60   490.000  1.335
   60    61   570.000  1.229
   60    62   270.000  1.486
   62    63   305.000  1.466
   62    64   500.000  1.261
   63    65   520.000  1.370
   63    75   410.000  1.394
   65    66   367.000  1.080
   65    68   265.000  1.745
   68    72   250.000  1.765
   72    75   488.000  1.335
   72    76   420.000  1.385
   76    77   434.000  1.010
   76    78   434.000  1.010
   64    67   320.000  1.394
   67    69   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    73   317.000  1.522
   73    74   570.000  1.229
   73    79   450.000  1.364
   79    80   553.000  0.945
   41    42   745.000  1.250
   41    50   510.000  1.338
   50    51   553.000  0.945
   38    39   340.000  1.080
   38    43   549.000  1.340
   43    44   340.000  1.080
   43    45   340.000  1.080
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    55    75.00000  111.63000
   29    33    38    75.00000  112.20000
   33    37    40    70.00000  113.82800
   33    37    41    70.00000  124.00000
   33    55    54    75.00000  111.63000
   33    55    56    37.50000  110.70000
   33    55    57    37.50000  110.70000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   37    40    46    50.00000  132.10000
   37    40    48    50.00000  132.70000
   37    41    42    65.00000  137.10300
   37    41    50    80.00000  121.38400
   40    46    47    75.00000  131.60000
   40    46    52    95.00000   92.72400
   40    48    52   105.00000   87.49700
   40    48    49    50.00000  112.01000
   40    48    54    80.00000  108.62000
   46    52    53    40.00000  113.37500
   46    52    48   100.00000   86.36000
   46    52    58    75.00000  110.24000
   52    46    47    60.00000  136.58000
   52    48    49    37.50000  110.70000
   52    48    54    65.00000  119.05700
   52    58    59    38.00000  118.40000
   52    58    60    50.00000  121.90000
   48    40    46   100.00000   93.00000
   48    52    53    37.50000  110.70000
   48    54    55    85.00000   99.86700
   54    48    49    45.00000  109.41400
   54    55    56    35.00000  109.50000
   54    55    57    35.00000  109.50000
   55    33    37    70.00000  112.02700
   57    55    56    33.00000  107.80000
   58    52    53    50.00000  112.01000
   58    52    48    80.00000  110.05700
   58    60    61    80.00000  122.90000
   58    60    62    75.00000  109.57000
   60    58    59    35.00000  119.80000
   60    62    63    75.00000  114.44000
   60    62    64    65.00000  123.79500
   62    60    61    80.00000  120.45000
   62    63    65    60.00000  121.09900
   62    63    75    60.00000  126.00000
   62    64    67   100.00000  109.52600
   63    65    66    35.00000  130.70000
   63    65    68    80.00000  111.29200
   63    75    72    70.00000  110.00000
   65    68    72   120.00000   89.04400
   68    65    66    40.00000  122.38200
   68    72    75    80.00000  114.57700
   68    72    76    70.00000  122.29500
   72    76    77    35.00000  113.50000
   72    76    78    35.00000  113.50000
   75    63    65    70.00000  111.00000
   76    72    75    75.00000  125.31200
   78    76    77    35.00000  109.00000
   64    62    63    65.00000  124.33800
   64    67    69   110.00000  106.71400
   67    69    70    35.00000  109.50000
   67    69    71    35.00000  109.50000
   67    69    73    90.00000  108.55600
   69    73    74    80.00000  120.40000
   69    73    79    70.00000  108.00000
   71    69    70    33.00000  107.80000
   73    69    70    35.00000  109.50000
   73    69    71    35.00000  109.50000
   73    79    80    35.00000  113.00000
   79    73    74   100.00000  123.32000
   41    37    40    75.00000  120.83300
   41    50    51    70.00000  107.45700
   50    41    42   115.00000  116.36000
   38    33    37    70.00000  110.12100
   38    33    55    70.00000  112.02700
   38    43    44    35.00000  120.00000
   38    43    45    35.00000  120.00000
   43    38    39    35.00000  120.00000
   45    43    44    35.00000  117.00000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   0.21350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.09700  1.0 1.0
   29    33    37    40   0.15600 -1.0 2.0
   29    33    37    40  -0.50800  1.0 3.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    55    54   0.56750  1.0 1.0
   29    33    55    54  -0.07550 -1.0 2.0
   29    33    55    54   0.20000  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    57   0.15000  1.0 3.0
   29    33    38    39   0.00000  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
   33    37    40    46   0.00000  1.0 1.0
   33    37    40    48   0.00000  1.0 1.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    50   7.00000 -1.0 2.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    45   7.00000 -1.0 2.0
   37    33    55    54   0.56750  1.0 1.0
   37    33    55    54  -0.07550 -1.0 2.0
   37    33    55    54   0.20000  1.0 3.0
   37    33    55    56   0.15000  1.0 3.0
   37    33    55    57   0.15000  1.0 3.0
   37    33    38    39   0.00000  1.0 1.0
   37    33    38    43  -0.28300  1.0 1.0
   37    33    38    43   0.26700 -1.0 2.0
   37    33    38    43  -0.63300  1.0 3.0
   37    40    46    47   3.00000 -1.0 2.0
   37    40    46    52   3.00000 -1.0 2.0
   37    40   -48    52   0.00000  1.0 1.0
   37    40    48    49   0.00000  1.0 1.0
   37    40   -48    54   0.00000  1.0 1.0
   37    41    50    51  -0.66100  1.0 1.0
   37    41    50    51   1.20850 -1.0 2.0
   37    41    50    51  -0.36000  1.0 3.0
   40    37    41    42   7.00000 -1.0 2.0
   40    37    41    50   7.00000 -1.0 2.0
   40    46    52    53   0.00000  1.0 1.0
   40    46   -52    48   3.00000 -1.0 2.0
   40    46    52    58   0.00000  1.0 1.0
   40    48    54    55   0.01700  1.0 1.0
   40    48    54    55  -0.23550 -1.0 2.0
   40    48    54    55   0.21350  1.0 3.0
   46    40   -48    52   0.00000  1.0 1.0
   46    40    48    49   0.00000  1.0 1.0
   46    40    48    54   0.00000  1.0 1.0
   46    52   -48    40   3.00000 -1.0 2.0
   46    52   -48    49   0.15000  1.0 3.0
   46    52   -48    54   0.00000  1.0 1.0
   46    52    58    59   0.00000  1.0 1.0
   46    52    58    60  -0.42300  1.0 1.0
   46    52    58    60  -0.07000 -1.0 2.0
   46    52    58    60   0.04150  1.0 3.0
   47    46    52    53   0.00000  1.0 1.0
   47    46    52    48  -0.11250  1.0 1.0
   47    46    52    48   0.11400 -1.0 2.0
   47    46    52    48  -0.28950  1.0 3.0
   47    46    52    58   0.30150 -1.0 2.0
   52    48    54    55   0.25150  1.0 1.0
   52    48    54    55  -1.17200 -1.0 2.0
   52    48    54    55   0.53050  1.0 3.0
   52    58    60    61   3.04450 -1.0 2.0
   52    58    60    62   1.49850  1.0 1.0
   52    58    60    62   1.53950 -1.0 2.0
   53    52   -48    40   0.15000  1.0 3.0
   53    52    48    49   0.15000  1.0 3.0
   53    52    48    54   0.00000  1.0 1.0
   53    52    58    59   0.00000  1.0 1.0
   53    52    58    60   0.00000  1.0 1.0
   48    40   -46    47   3.00000 -1.0 2.0
   48    40   -46    52   3.00000 -1.0 2.0
   48    52    58    59   0.00000  1.0 1.0
   48    52    58    60  -0.43950  1.0 1.0
   48    52    58    60  -0.08100 -1.0 2.0
   48    52    58    60   0.03350  1.0 3.0
   48    54   -55    33  -0.25000 -1.0 2.0
   48    54   -55    33  -0.01800  1.0 3.0
   48    54    55    56   0.32350  1.0 3.0
   48    54    55    57   0.32350  1.0 3.0
   49    48    54    55   0.00000  1.0 1.0
   55    33   -37    40  -0.93550  1.0 1.0
   55    33   -37    40   0.38900 -1.0 2.0
   55    33   -37    40   0.16950  1.0 3.0
   55    33    37    41   0.09850  1.0 1.0
   55    33    37    41   0.15250 -1.0 2.0
   55    33    37    41  -0.50650  1.0 3.0
   55    33    38    39   0.00000  1.0 1.0
   55    33    38    43   0.09850  1.0 1.0
   55    33    38    43   0.15250 -1.0 2.0
   55    33    38    43  -0.50650  1.0 3.0
   58    52   -48    40   2.20050  1.0 1.0
   58    52   -48    40   0.63450 -1.0 2.0
   58    52   -48    40  -0.91300  1.0 3.0
   58    52    48    49   0.15000  1.0 3.0
   58    52    48    54   0.00000  1.0 1.0
   58    60    62    63   1.50000 -1.0 2.0
   58    60    62    64   1.50000 -1.0 2.0
   59    58    60    61   2.45000 -1.0 2.0
   59    58    60    62   2.56700 -1.0 2.0
   60    62    63    65   0.30050 -1.0 2.0
   60    62    63    65   0.16600  1.0 3.0
   60    62    63    75   0.30050 -1.0 2.0
   60    62    63    75   0.16600  1.0 3.0
   60    62    64    67   6.00000 -1.0 2.0
   61    60    62    63   1.00000 -1.0 2.0
   61    60    62    64   1.00000 -1.0 2.0
   62    63    65    66   3.62500 -1.0 2.0
   62    63    65    68   3.62500 -1.0 2.0
   62    63    75    72   3.62500 -1.0 2.0
   62    64    67    69   1.50000 -1.0 2.0
   63    62    64    67   6.00000 -1.0 2.0
   63    65   -68    72   3.62500 -1.0 2.0
   65    63   -75    72   2.40000 -1.0 2.0
   65    68   -72    75   3.62500 -1.0 2.0
   65    68    72    76   3.62500 -1.0 2.0
   66    65    68    72   3.62500 -1.0 2.0
   68    72   -75    63   3.62500 -1.0 2.0
   68    72    76    77   0.47600 -1.0 2.0
   68    72    76    78   0.47600 -1.0 2.0
   75    63    65    66   3.62500 -1.0 2.0
   75    63   -65    68   3.62500 -1.0 2.0
   75    72    76    77   1.75000 -1.0 2.0
   75    72    76    78   1.75000 -1.0 2.0
   76    72    75    63   3.62500 -1.0 2.0
   64    62    63    65   1.02250 -1.0 2.0
   64    62    63    75   1.02250 -1.0 2.0
   64    67    69    70   0.37500  1.0 3.0
   64    67    69    71   0.37500  1.0 3.0
   64    67    69    73   0.37500  1.0 3.0
   67    69    73    74   0.30150 -1.0 2.0
   67    69    73    79   0.40000  1.0 3.0
   69    73    79    80   1.50000  1.0 1.0
   69    73    79    80   2.45000 -1.0 2.0
   70    69    73    74   0.00000  1.0 1.0
   70    69    73    79   0.00000  1.0 1.0
   71    69    73    74   0.00000  1.0 1.0
   71    69    73    79   0.00000  1.0 1.0
   74    73    79    80   0.92200  1.0 1.0
   74    73    79    80   3.74100 -1.0 2.0
   41    37    40    46   0.00000  1.0 1.0
   41    37    40    48   0.00000  1.0 1.0
   42    41    50    51   2.00000 -1.0 2.0
   38    33    37    40  -1.35150  1.0 1.0
   38    33    37    40   0.13900 -1.0 2.0
   38    33    37    40   0.25250  1.0 3.0
   38    33    37    41  -0.28300  1.0 1.0
   38    33    37    41   0.26700 -1.0 2.0
   38    33    37    41  -0.63300  1.0 3.0
   38    33    55    54   0.56750  1.0 1.0
   38    33    55    54  -0.07550 -1.0 2.0
   38    33    55    54   0.20000  1.0 3.0
   38    33    55    56   0.15000  1.0 3.0
   38    33    55    57   0.15000  1.0 3.0
   39    38    43    44   7.00000 -1.0 2.0
   39    38    43    45   7.00000 -1.0 2.0
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    40    37    41   1.10000 -1.0 2.0
   48    46    40    37   1.00000 -1.0 2.0
   40    52    46    47  10.50000 -1.0 2.0
   59    60    58    52   1.00000 -1.0 2.0
   58    62    60    61  10.50000 -1.0 2.0
   60    63    62    64  10.50000 -1.0 2.0
   65    75    63    62   4.00000 -1.0 2.0
   68    66    65    63   1.10000 -1.0 2.0
   75    76    72    68   4.00000 -1.0 2.0
   78    72    76    77   1.00000 -1.0 2.0
   69    79    73    74  10.50000 -1.0 2.0
   42    50    41    37   1.10000 -1.0 2.0
   33    39    38    43  15.00000 -1.0 2.0
   44    45    43    38  15.00000 -1.0 2.0
END
