* LIGAND DATABASE FILE (OPLS2005)
*
001      79    80    144    219     413
    1     0 S   NP   _N1_     1    28.97265    92.48822   -21.26929
    2     1 S   H    _HN1     2     1.02971    89.97153    66.79542
    3     1 S   H    _H1_     3     1.02735    18.12961  -132.98362
    4     1 S   H    _H2_     4     1.03233   108.24485   -40.82467
    5     1 S   CT   _CA1     5     1.49921   125.17408  -177.88511
    6     5 S   HC   _HA1     6     1.09597   105.19373    63.23743
    7     5 S   CO3  _C1_     7     1.53749   112.42436   -56.78899
    8     7 S   O2Z  _O11     8     1.26352   115.10412   -47.23870
    9     7 S   O2Z  _O12     9     1.26267   114.93967   132.16939
   10     5 S   CT   _CB1    10     1.53154   107.70274  -179.50822
   11    10 S   HC   HB11    11     1.09763   108.70554   -55.46424
   12    10 S   HC   HB12    12     1.09793   110.68001    60.86639
   13    10 S   CT   _CG1    13     1.53105   112.75359  -176.93938
   14    13 S   HC   HG11    14     1.09602   109.87154   -69.92242
   15    13 S   HC   HG12    15     1.09647   110.34175    48.93127
   16    13 S   C    _CD1    16     1.51856   112.35050   168.29974
   17    16 S   O    _OE1    17     1.22753   122.92468   -24.33394
   18    16 S   N    _N2_    18     1.38631   112.14148   157.94601
   19    18 S   H    _HN2    19     1.01555   119.19882    -0.74599
   20    18 S   CT1  _CA2    20     1.46262   123.18766   178.89606
   21    20 S   HC   _HA2    21     1.09749   109.33315   -13.91529
   22    20 S   C    _C2_    22     1.53441   107.87058  -129.34612
   23    22 S   O    _O2_    23     1.23005   122.42042  -143.17418
   24    20 S   CT   _CB2    32     1.53654   111.99631   108.32023
   25    24 S   HC   HB21    33     1.09351   109.54747    56.79377
   26    24 S   HC   HB22    34     1.09419   109.19705   175.51402
   27    22 S   N    _N3_    24     1.38572   113.26835    43.93106
   28    27 S   H    _HN3    25     1.01535   118.89175    -0.25564
   29    24 S   S    _SG2    35     1.82675   111.36239   -65.12845
   30    27 S   CT   _CA3    26     1.45433   123.30473   175.36511
   31    30 S   HC   HA31    27     1.09535   109.03929    27.97062
   32    30 S   HC   HA32    28     1.09491   107.16498   144.93511
   33    29 S   CT   _C7_    36     1.89029   103.03461   173.89003
   34    30 S   CO3  _C3_    29     1.52936   113.27693   -95.37424
   35    34 S   O2Z  _O31    30     1.26389   115.47223   -43.13816
   36    34 S   O2Z  _O32    31     1.26366   114.93851   137.81539
   37    33 S   CM   _C12    37     1.54835   104.86662   169.01796
   38    33 S   CT   _C6_    70     1.54921   109.89927    49.23946
   39    38 S   HC   _H8_    71     1.09665   111.89963    55.02688
   40    38 S   HC   _H9_    72     1.09591   110.70885   -66.04276
   41    37 S   N4   _N4_    38     1.36255   118.66431    91.23582
   42    37 S   CMA  _C13    67     1.52983   121.06108   -81.76163
   43    42 S   OM   _O36    68     1.26403   119.70873  -108.45702
   44    42 S   OM   _O37    69     1.26241   121.68253    71.78819
   45    38 S   OS   _O34    73     1.44291   109.64856   176.52971
   46    41 S   C4   _C11    39     1.35205   137.63436  -158.21576
   47    46 S   O    _O35    40     1.20876   134.44508     2.35135
   48    41 S   C4T  _C9_    43     1.44896   124.64403    34.57452
   49    48 S   HC   _H3_    44     1.09784   112.18477    69.45799
   50    45 S   CO4  _C5_    74     1.36130   115.85241  -173.93783
   51    50 S   O    _O33    75     1.22349   126.39540    -3.35993
   52    46 S   C4T  _C10    41     1.55991    89.67134   179.66487
   53    52 S   HC   _H4_    42     1.09645   113.04467   122.96472
   54    48 S   S    _S1_    45     1.80763   110.22414   -58.16973
   55    50 S   CT   _C4_    76     1.49827   109.49780   177.18158
   56    55 S   HC   _H5_    77     1.09297   109.84350   -59.66374
   57    55 S   HC   _H6_    78     1.09378   109.36431  -178.61464
   58    55 S   HC   _H7_    79     1.09284   109.82331    62.23644
   59    33 S   CT   _C8_    46     1.55894   108.72153   -69.24321
   60    59 S   HC   _H10    47     1.09380   111.90366    54.94003
   61    59 S   HC   _H11    48     1.09698   110.15119   172.13428
   62    52 S   N    _N5_    49     1.47834   115.39314  -107.27150
   63    62 S   H    _H12    50     1.01744   118.95955    98.26577
   64    62 S   C    _C14    51     1.38388   122.79548   -84.13033
   65    64 S   O    _O38    52     1.22846   124.96642     5.03501
   66    64 S   CT   _C15    53     1.51424   113.12422  -172.93223
   67    66 S   HC   _H13    54     1.09725   107.81687    47.71689
   68    66 S   HC   _H14    55     1.09613   108.65064   162.83867
   69    66 S   CT   _C16    56     1.52452   113.53688   -73.42753
   70    69 S   HC   _H15    57     1.09664   111.01353    51.63821
   71    69 S   HC   _H16    58     1.09723   107.86659   167.73137
   72    69 S   CT   _C17    59     1.52652   112.71756   -71.60277
   73    72 S   HC   _H17    60     1.09630   111.01165   -45.68206
   74    72 S   HC   _H18    61     1.09391   111.49219    73.33410
   75    72 S   CO4  _C18    62     1.50634   109.37969  -163.81077
   76    75 S   O    _O39    63     1.22651   123.54806    84.05892
   77    75 S   CO3  _C19    64     1.50552   121.69966   -91.81819
   78    77 S   O2Z  _O41    65     1.26812   115.98086   165.81093
   79    77 S   O2Z  _O40    66     1.26394   115.70372   -13.21210
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  16   2   1   1  17  12   4   3  12   5   1   1   7   9   4  10
   5   5   4   8   4   4   3   2   1   1   2   1   1   7   3   8
   4   9   5   4   8   5   4   7   4   3   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    59    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    54    59    60    61    42    38    39    40    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    46    48    54    59    60    61    42    43    44    38    39    40    45    50  
   35    36  
   36  
    0  
   41    46    47    52    48    49    54    59    60    61    42    43    44    38    39    40    45  
   39    40    45    50    51    55    41    42    54    59    60    61  
   40    45    50    59  
   45    50    59  
   46    47    52    53    48    49    54    59    62    42    43    44  
   43    44    46    48    59  
   44  
    0  
   50    51    55    56    57    58    59  
   47    52    53    48    49    54    62    63    64  
   52    53    48    62  
   49    54    59    60    61    62    63    64    52    53  
   54    59    62    52    53  
   51    55    56    57    58  
   55    56    57    58  
   53    54    59    62    63    64    65    66  
   54    62    63    64  
   59    60    61    62  
   56    57    58  
   57    58  
   58  
    0  
   60    61  
   61  
    0  
   63    64    65    66    67    68    69  
   64    65    66  
   65    66    67    68    69    70    71    72  
   66    67    68    69  
   67    68    69    70    71    72    73    74    75  
   68    69    70    71    72  
   69    70    71    72  
   70    71    72    73    74    75    76    77  
   71    72    73    74    75  
   72    73    74    75  
   73    74    75    76    77    78    79  
   74    75    76    77  
   75    76    77  
   76    77    78    79  
   77    78    79  
   78    79  
   79  
    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   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   3.5000   0.0660   0.047500   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   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   63   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   64   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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    59   268.000  1.529
   33    38   268.000  1.529
   37    41   400.000  1.384
   37    42   465.000  1.376
   41    46   440.000  1.369
   41    48   305.000  1.456
   46    47   930.000  1.212
   46    52   250.000  1.540
   52    53   340.000  1.090
   52    48   268.000  1.529
   52    62   337.000  1.449
   48    49   340.000  1.090
   48    54   200.000  1.824
   54    59   222.000  1.810
   59    60   340.000  1.090
   59    61   340.000  1.090
   62    63   434.000  1.010
   62    64   490.000  1.335
   64    65   570.000  1.229
   64    66   317.000  1.522
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   317.000  1.522
   75    76   570.000  1.229
   75    77   250.000  1.524
   77    78   656.000  1.250
   77    79   656.000  1.250
   42    43   745.000  1.250
   42    44   745.000  1.250
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    45   320.000  1.410
   45    50   214.000  1.327
   50    51   570.000  1.229
   50    55   317.000  1.522
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    59    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    59    54    75.00000  111.63000
   33    59    60    37.50000  110.70000
   33    59    61    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    45    50.00000  109.50000
   37    41    46    50.00000  132.10000
   37    41    48    50.00000  132.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  137.10300
   41    46    47    75.00000  131.60000
   41    46    52    95.00000   92.72400
   41    48    52   105.00000   87.49700
   41    48    49    50.00000  112.01000
   41    48    54    80.00000  108.62000
   46    52    53    40.00000  113.37500
   46    52    48   100.00000   86.36000
   46    52    62    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    62    63    38.00000  118.40000
   52    62    64    50.00000  121.90000
   48    41    46   100.00000   93.00000
   48    52    53    37.50000  110.70000
   48    54    59    85.00000   99.86700
   54    48    49    45.00000  109.41400
   54    59    60    35.00000  109.50000
   54    59    61    35.00000  109.50000
   59    33    37    70.00000  112.02700
   61    59    60    33.00000  107.80000
   62    52    53    50.00000  112.01000
   62    52    48    80.00000  110.05700
   62    64    65    80.00000  122.90000
   62    64    66    70.00000  116.60000
   64    62    63    35.00000  119.80000
   64    66    67    35.00000  109.50000
   64    66    68    35.00000  109.50000
   64    66    69    63.00000  111.10000
   66    64    65    80.00000  120.40000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    75    63.00000  111.10000
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    75    76    80.00000  120.40000
   72    75    77    65.00000  114.64000
   74    72    73    33.00000  107.80000
   75    72    73    35.00000  109.50000
   75    72    74    35.00000  109.50000
   75    77    78    85.00000  112.82000
   75    77    79    85.00000  112.82000
   77    75    76    80.00000  120.92000
   79    77    78    80.00000  126.00000
   42    37    41    75.00000  120.83300
   44    42    43    65.00000  121.00000
   38    33    37    70.00000  112.02700
   38    33    59    58.35000  112.70000
   38    45    50    83.00000  116.90000
   40    38    39    33.00000  107.80000
   45    38    39    35.00000  109.50000
   45    38    40    35.00000  109.50000
   45    50    51    83.00000  123.40000
   45    50    55    81.00000  111.40000
   50    55    56    35.00000  109.50000
   50    55    57    35.00000  109.50000
   50    55    58    35.00000  109.50000
   55    50    51    80.00000  120.40000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    59   0.01700  1.0 1.0
   24    29    33    59  -0.23550 -1.0 2.0
   24    29    33    59   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    59    54   0.56750  1.0 1.0
   29    33    59    54  -0.07550 -1.0 2.0
   29    33    59    54   0.20000  1.0 3.0
   29    33    59    60   0.15000  1.0 3.0
   29    33    59    61   0.15000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   33    37    41    46   0.00000  1.0 1.0
   33    37    41    48   0.00000  1.0 1.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    44   7.00000 -1.0 2.0
   33    38    45    50  -0.25900  1.0 1.0
   33    38    45    50  -0.47000 -1.0 2.0
   33    38    45    50   0.11750  1.0 3.0
   37    33    59    54   0.56750  1.0 1.0
   37    33    59    54  -0.07550 -1.0 2.0
   37    33    59    54   0.20000  1.0 3.0
   37    33    59    60   0.15000  1.0 3.0
   37    33    59    61   0.15000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    45   0.61850  1.0 1.0
   37    33    38    45  -0.22750 -1.0 2.0
   37    33    38    45   0.15300  1.0 3.0
   37    41    46    47   3.00000 -1.0 2.0
   37    41    46    52   3.00000 -1.0 2.0
   37    41   -48    52   0.00000  1.0 1.0
   37    41    48    49   0.00000  1.0 1.0
   37    41   -48    54   0.00000  1.0 1.0
   41    37    42    43   7.00000 -1.0 2.0
   41    37    42    44   7.00000 -1.0 2.0
   41    46    52    53   0.00000  1.0 1.0
   41    46   -52    48   3.00000 -1.0 2.0
   41    46    52    62   0.00000  1.0 1.0
   41    48    54    59   0.01700  1.0 1.0
   41    48    54    59  -0.23550 -1.0 2.0
   41    48    54    59   0.21350  1.0 3.0
   46    41   -48    52   0.00000  1.0 1.0
   46    41    48    49   0.00000  1.0 1.0
   46    41    48    54   0.00000  1.0 1.0
   46    52   -48    41   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    62    63   0.00000  1.0 1.0
   46    52    62    64  -0.42300  1.0 1.0
   46    52    62    64  -0.07000 -1.0 2.0
   46    52    62    64   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    62   0.30150 -1.0 2.0
   52    48    54    59   0.25150  1.0 1.0
   52    48    54    59  -1.17200 -1.0 2.0
   52    48    54    59   0.53050  1.0 3.0
   52    62    64    65   3.04450 -1.0 2.0
   52    62    64    66   1.49850  1.0 1.0
   52    62    64    66   1.53950 -1.0 2.0
   53    52   -48    41   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    62    63   0.00000  1.0 1.0
   53    52    62    64   0.00000  1.0 1.0
   48    41   -46    47   3.00000 -1.0 2.0
   48    41   -46    52   3.00000 -1.0 2.0
   48    52    62    63   0.00000  1.0 1.0
   48    52    62    64  -0.43950  1.0 1.0
   48    52    62    64  -0.08100 -1.0 2.0
   48    52    62    64   0.03350  1.0 3.0
   48    54   -59    33  -0.25000 -1.0 2.0
   48    54   -59    33  -0.01800  1.0 3.0
   48    54    59    60   0.32350  1.0 3.0
   48    54    59    61   0.32350  1.0 3.0
   49    48    54    59   0.00000  1.0 1.0
   59    33   -37    41  -0.93550  1.0 1.0
   59    33   -37    41   0.38900 -1.0 2.0
   59    33   -37    41   0.16950  1.0 3.0
   59    33    37    42   0.09850  1.0 1.0
   59    33    37    42   0.15250 -1.0 2.0
   59    33    37    42  -0.50650  1.0 3.0
   59    33    38    39   0.15000  1.0 3.0
   59    33    38    40   0.15000  1.0 3.0
   59    33    38    45   0.62750  1.0 1.0
   59    33    38    45  -0.30950 -1.0 2.0
   59    33    38    45   0.27300  1.0 3.0
   62    52   -48    41   2.20050  1.0 1.0
   62    52   -48    41   0.63450 -1.0 2.0
   62    52   -48    41  -0.91300  1.0 3.0
   62    52    48    49   0.15000  1.0 3.0
   62    52    48    54   0.00000  1.0 1.0
   62    64    66    67   0.00000  1.0 1.0
   62    64    66    68   0.00000  1.0 1.0
   62    64    66    69   1.39750  1.0 1.0
   62    64    66    69  -0.07950 -1.0 2.0
   62    64    66    69  -0.18750  1.0 3.0
   63    62    64    65   2.45000 -1.0 2.0
   63    62    64    66   2.45000 -1.0 2.0
   64    66    69    70  -0.11250  1.0 3.0
   64    66    69    71  -0.11250  1.0 3.0
   64    66    69    72  -0.95700  1.0 1.0
   64    66    69    72  -0.18200 -1.0 2.0
   64    66    69    72   0.29450  1.0 3.0
   65    64    66    67   0.00000  1.0 1.0
   65    64    66    68   0.00000  1.0 1.0
   65    64    66    69   0.30150 -1.0 2.0
   66    69    72    73   0.15000  1.0 3.0
   66    69    72    74   0.15000  1.0 3.0
   66    69    72    75  -0.95700  1.0 1.0
   66    69    72    75  -0.18200 -1.0 2.0
   66    69    72    75   0.29450  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   67    66    69    72   0.15000  1.0 3.0
   68    66    69    70   0.15000  1.0 3.0
   68    66    69    71   0.15000  1.0 3.0
   68    66    69    72   0.15000  1.0 3.0
   69    72    75    76   0.30150 -1.0 2.0
   69    72    75    77   0.65300  1.0 1.0
   69    72    75    77  -0.03850 -1.0 2.0
   69    72    75    77   0.33900  1.0 3.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    74   0.15000  1.0 3.0
   70    69    72    75  -0.11250  1.0 3.0
   71    69    72    73   0.15000  1.0 3.0
   71    69    72    74   0.15000  1.0 3.0
   71    69    72    75  -0.11250  1.0 3.0
   72    75    77    78   0.49600 -1.0 2.0
   72    75    77    79   0.49600 -1.0 2.0
   73    72    75    76   0.00000  1.0 1.0
   73    72    75    77   0.00000  1.0 1.0
   74    72    75    76   0.00000  1.0 1.0
   74    72    75    77   0.00000  1.0 1.0
   76    75    77    78   0.06100 -1.0 2.0
   76    75    77    79   0.06100 -1.0 2.0
   42    37    41    46   0.00000  1.0 1.0
   42    37    41    48   0.00000  1.0 1.0
   38    33    37    41  -0.93550  1.0 1.0
   38    33    37    41   0.38900 -1.0 2.0
   38    33    37    41   0.16950  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    59    54   0.44750  1.0 1.0
   38    33    59    54  -0.17800 -1.0 2.0
   38    33    59    54   0.20200  1.0 3.0
   38    33    59    60   0.15000  1.0 3.0
   38    33    59    61   0.15000  1.0 3.0
   38    45    50    51   3.00000 -1.0 2.0
   38    45    50    55   1.63150  1.0 1.0
   38    45    50    55   2.92000 -1.0 2.0
   39    38    45    50   0.08050  1.0 3.0
   40    38    45    50   0.08050  1.0 3.0
   45    50    55    56   0.00000  1.0 1.0
   45    50    55    57   0.00000  1.0 1.0
   45    50    55    58   0.00000  1.0 1.0
   51    50    55    56   0.00000  1.0 1.0
   51    50    55    57   0.00000  1.0 1.0
   51    50    55    58   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
   35    30    34    36  10.50000 -1.0 2.0
   33    41    37    42   1.10000 -1.0 2.0
   48    46    41    37   1.00000 -1.0 2.0
   41    52    46    47  10.50000 -1.0 2.0
   63    64    62    52   1.00000 -1.0 2.0
   62    66    64    65  10.50000 -1.0 2.0
   72    77    75    76  10.50000 -1.0 2.0
   78    75    77    79  10.50000 -1.0 2.0
   43    44    42    37   1.10000 -1.0 2.0
   45    55    50    51  10.50000 -1.0 2.0
END
