* LIGAND DATABASE FILE (OPLS2005)
*
001      78    80    142    213     406
    1     0 S   NP   _N1_     1    29.86720    93.63999   -16.37235
    2     1 S   H    _HN1     2     1.03243   136.01924    91.82458
    3     1 S   H    _H1_     3     1.02801    29.68602   104.86232
    4     1 S   H    _H2_     4     1.02754    89.78953   -24.14752
    5     1 S   CT   _CA1     5     1.50007    98.16937  -136.67460
    6     5 S   HC   _HA1     6     1.09573   105.07523    33.29257
    7     5 S   CO3  _C1_     7     1.53759   112.80295   -86.79488
    8     7 S   O2Z  _O11     8     1.26327   115.15559   -39.25307
    9     7 S   O2Z  _O12     9     1.26249   114.92024   139.95757
   10     5 S   CT   _CB1    10     1.53074   107.52966   151.29570
   11    10 S   HC   HB11    11     1.09838   109.53158   -48.31613
   12    10 S   HC   HB12    12     1.09792   110.37274    68.09926
   13    10 S   CT   _CG1    13     1.53056   112.58284  -169.39180
   14    13 S   HC   HG11    14     1.09570   111.11605   -68.98298
   15    13 S   HC   HG12    15     1.09613   110.72321    50.25573
   16    13 S   C    _CD1    16     1.51401   110.44160   169.72214
   17    16 S   O    _OE1    17     1.22847   121.71520   -99.60737
   18    16 S   N    _N2_    18     1.38226   112.92521    78.83212
   19    18 S   H    _HN2    19     1.01565   119.12093     6.64458
   20    18 S   CT1  _CA2    20     1.45892   122.98825  -178.62456
   21    20 S   HC   _HA2    21     1.09721   109.01101    20.45055
   22    20 S   C    _C2_    22     1.52817   107.30314   -96.93966
   23    22 S   O    _O2_    23     1.22948   122.92291   -26.02410
   24    20 S   CT   _CB2    32     1.53232   111.79542   143.29042
   25    24 S   HC   HB21    33     1.09409   109.50878    58.79781
   26    24 S   HC   HB22    34     1.09505   110.60026   176.96133
   27    22 S   N    _N3_    24     1.38619   112.39378   157.02824
   28    27 S   H    _HN3    25     1.01495   119.75601     0.54680
   29    24 S   S    _SG2    35     1.82758   110.58108   -63.41493
   30    27 S   CT   _CA3    26     1.45430   122.66450   174.83965
   31    30 S   HC   HA31    27     1.09548   108.78171    33.56535
   32    30 S   HC   HA32    28     1.09475   107.20737   150.69524
   33    29 S   CT   _C17    36     1.83930   100.85276   149.42375
   34    30 S   CO3  _C3_    29     1.53094   113.76368   -89.24332
   35    34 S   O2Z  _O31    30     1.26362   115.93856   -27.90989
   36    34 S   O2Z  _O32    31     1.26426   114.59980   152.89557
   37    33 S   CM   _C11    37     1.50068   109.03594   177.37594
   38    37 S   CMA  _C13    38     1.35528   110.38320   -99.49454
   39    38 S   OM   _O20    39     1.26230   128.77813   176.27679
   40    37 S   CT   _C16    44     1.53008   117.96039    81.41615
   41    40 S   HC   _H34    45     1.10046   105.34749   -89.23050
   42    38 S   OS   _O22    40     1.42728   109.54081    -2.28422
   43    40 S   CA   _C8_    46     1.53433   114.51744   152.07714
   44    40 S   CM   _C10    61     1.53540   112.33507    24.76982
   45    33 S   CT   _C15    41     1.51358   113.16486    67.71326
   46    45 S   HC   _H32    42     1.09886   112.35431  -155.99481
   47    45 S   HC   _H33    43     1.09463   114.39239   -33.63637
   48    43 S   CA   _C6_    47     1.40743   118.35150   114.14801
   49    48 S   HA   _H30    48     1.08742   120.37472    -1.31015
   50    44 S   CM   _C12    62     1.35155   122.82784    -1.19157
   51    44 S   CO4  _C14    69     1.48027   116.22477   179.42870
   52    51 S   O    _O21    70     1.22199   123.37318    64.16102
   53    48 S   CA   _C4_    49     1.39343   120.87624   178.86823
   54    53 S   HA   _H28    50     1.08600   120.00640   179.75611
   55    33 S   NE   _N19    63     1.44811   111.86592   -60.83214
   56    55 S   H    _H44    64     1.01457   118.22711    82.24600
   57    50 S   CT   _C18    65     1.50559   125.31921   178.77827
   58    57 S   HC   _H35    66     1.09592   110.04535   124.79724
   59    57 S   HC   _H36    67     1.09175   113.78192     4.89453
   60    57 S   HC   _H37    68     1.09520   109.97990  -116.01533
   61    51 S   OS   _O24    71     1.35823   109.14885  -112.65216
   62    53 S   CA   _C5_    51     1.39051   119.89012     0.11364
   63    62 S   HA   _H29    52     1.08635   119.92304   179.43698
   64    61 S   CT   _C20    72     1.43364   115.32848   177.48013
   65    64 S   HC   _H41    73     1.09559   109.63816   -58.23055
   66    64 S   HC   _H42    74     1.09540   109.45754    62.11281
   67    62 S   CA   _C7_    53     1.39567   120.19854    -0.13848
   68    67 S   HA   _H31    54     1.08560   117.69657   178.89341
   69    64 S   CT   _C19    75     1.51534   108.07292  -178.02127
   70    69 S   HC   _H38    76     1.09504   110.60377   -58.98018
   71    69 S   HC   _H39    77     1.09512   110.57483    59.21135
   72    69 S   HC   _H40    78     1.09348   110.92738  -179.90109
   73    43 S   CA   _C9_    55     1.41387   122.75671   -67.38721
   74    73 S   OS   _O23    56     1.37153   116.45206     1.87659
   75    74 S   CTHO _C21    57     1.41680   117.08706  -161.37965
   76    75 S   F    _F25    58     1.35824   107.29655   165.60422
   77    75 S   F    _F26    59     1.35557   109.17352   -79.33915
   78    75 S   HC   _H43    60     1.09562   113.84191    45.44579
  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
  15   2   1   1  16  10   3  17   6   4  13  13   5   2   1   8
   4   9   8   2   6   3   5   1   3   2   1   1   7   5   3   6
   5   4   4   2   3   2   1   1   5   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    45    55    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    45    46    47    40    50    55    56  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    45    46    47    40    41    43    44    50    55    56    57  
   35    36  
   36  
    0  
   38    39    42    45    46    47    40    41    43    48    73    44    50    55    56    51  
   39    42    45    46    47    40    41    43    44    55  
   42    45    40  
   41    43    48    49    53    67    73    74    44    50    55    57    51    52    61    42    45  
   43    48    73    44    50    51  
   45    46    47    55  
   48    49    53    54    62    67    68    73    74    75    44    50    51  
   50    55    56    57    58    59    60    51    52    61    64    48    73  
   46    47    50    55    56  
   47    55  
   55  
   49    53    54    62    63    67    73    74  
   53    54    62    73  
   55    56    57    58    59    60    51    52    61  
   52    61    64    65    66    69    55    57  
   61    64  
   54    62    63    67    68    73  
   62    63    67  
   56    57    58    59    60  
   57  
   58    59    60  
   59    60  
   60  
    0  
   64    65    66    69    70    71    72  
   63    67    68    73    74  
   67    68    73  
   65    66    69    70    71    72  
   66    69    70    71    72  
   69    70    71    72  
   68    73    74    75  
   73    74  
   70    71    72  
   71    72  
   72  
    0  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78  
   77    78  
   78  
    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   0.402800   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   39   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   40   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.8500   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.2500   0.1700  -0.607000   1.8650   1.6500   0.051222218  -2.220205820
   56   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700   0.199600   2.5000   1.7750   0.001000000  -0.843144165
   74   2.9000   0.1400  -0.381100   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5000   0.0660   0.616700   1.9750   1.7500   0.005000000  -0.741685710
   76   2.9500   0.0530  -0.232600   2.4980   2.2250   0.001000000   0.985400000
   77   2.9500   0.0530  -0.232600   2.4980   2.2250   0.001000000   0.985400000
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    45   268.000  1.529
   33    55   382.000  1.448
   37    38   465.000  1.376
   37    40   317.000  1.510
   38    39   745.000  1.250
   38    42   440.000  1.360
   42    45   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   40    41   340.000  1.090
   40    43   317.000  1.510
   40    44   317.000  1.510
   43    48   469.000  1.400
   43    73   469.000  1.400
   48    49   367.000  1.080
   48    53   469.000  1.400
   53    54   367.000  1.080
   53    62   469.000  1.400
   62    63   367.000  1.080
   62    67   469.000  1.400
   67    68   367.000  1.080
   67    73   469.000  1.400
   73    74   450.000  1.364
   74    75   470.000  1.351
   75    76   455.000  1.355
   75    77   455.000  1.355
   75    78   375.000  1.089
   44    50   549.000  1.340
   44    51   320.000  1.462
   50    55   425.000  1.378
   50    57   317.000  1.510
   55    56   434.000  1.010
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   51    52   570.000  1.229
   51    61   214.000  1.327
   61    64   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   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    45    75.00000  111.63000
   29    33    55    80.00000  108.62000
   33    37    38    70.00000  124.00000
   33    37    40    65.00000  117.92700
   33    45    42    50.00000  109.50000
   33    45    46    37.50000  110.70000
   33    45    47    37.50000  110.70000
   33    55    50    50.00000  121.00000
   33    55    56    35.00000  112.50000
   37    38    39    65.00000  137.10300
   37    38    42    80.00000  120.01400
   37    40    41    35.00000  109.50000
   37    40    43    70.00000  112.99600
   37    40    44    70.00000  110.12100
   38    42    45    90.00000  111.18400
   42    38    39    65.00000  121.00000
   42    45    46    35.00000  109.50000
   42    45    47    35.00000  109.50000
   45    33    37    70.00000  112.02700
   47    45    46    33.00000  107.80000
   40    37    38    70.00000  124.00000
   40    43    48    70.00000  120.00000
   40    43    73    70.00000  120.00000
   40    44    50    70.00000  124.00000
   40    44    51    65.00000  116.34900
   43    40    41    35.00000  109.50000
   43    48    49    35.00000  120.00000
   43    48    53    63.00000  120.00000
   43    73    67    63.00000  120.00000
   43    73    74    70.00000  120.00000
   48    53    54    35.00000  120.00000
   48    53    62    63.00000  120.00000
   53    48    49    35.00000  120.00000
   53    62    63    35.00000  120.00000
   53    62    67    63.00000  120.00000
   62    53    54    35.00000  120.00000
   62    67    68    35.00000  120.00000
   62    67    73    63.00000  120.00000
   67    62    63    35.00000  120.00000
   67    73    74    70.00000  120.00000
   73    43    48    63.00000  120.00000
   73    67    68    35.00000  120.00000
   73    74    75    90.00000  114.16000
   74    75    76   110.00000  110.36100
   74    75    77   110.00000  110.36100
   74    75    78    60.00000  110.43500
   77    75    76   110.00000  107.78700
   78    75    76    55.00000  109.56900
   78    75    77    55.00000  109.56900
   44    40    41    35.00000  109.50000
   44    40    43    70.00000  112.99600
   44    50    55    70.00000  124.03900
   44    50    57    70.00000  124.00000
   44    51    52    80.00000  123.72100
   44    51    61    90.00000  111.29400
   50    55    56    35.00000  114.50000
   50    57    58    35.00000  109.50000
   50    57    59    35.00000  109.50000
   50    57    60    35.00000  109.50000
   55    33    37    80.00000  112.42400
   55    33    45    80.00000  111.61500
   57    50    55    75.00000  116.24600
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   51    44    50    65.00000  118.96000
   51    61    64    83.00000  116.90000
   61    51    52    83.00000  123.40000
   61    64    65    35.00000  109.50000
   61    64    66    35.00000  109.50000
   61    64    69    50.00000  109.50000
   64    69    70    37.50000  110.70000
   64    69    71    37.50000  110.70000
   64    69    72    37.50000  110.70000
   66    64    65    33.00000  107.80000
   69    64    65    37.50000  110.70000
   69    64    66    37.50000  110.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    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    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.42700  1.0 1.0
   29    33    37    38  -0.70350 -1.0 2.0
   29    33    37    38  -0.43150  1.0 3.0
   29    33    37    40   0.30250  1.0 1.0
   29    33    37    40  -0.14950 -1.0 2.0
   29    33    37    40   0.36900  1.0 3.0
   29    33    45    42   0.56750  1.0 1.0
   29    33    45    42  -0.07550 -1.0 2.0
   29    33    45    42   0.20000  1.0 3.0
   29    33    45    46   0.15000  1.0 3.0
   29    33    45    47   0.15000  1.0 3.0
   29    33    55    50  -0.12500  1.0 1.0
   29    33    55    50  -0.12500 -1.0 2.0
   29    33    55    50   0.25000  1.0 3.0
   29    33    55    56  -0.12500  1.0 1.0
   29    33    55    56  -0.12500 -1.0 2.0
   29    33    55    56   0.25000  1.0 3.0
   33    37    38    39   7.00000 -1.0 2.0
   33    37   -38    42   7.00000 -1.0 2.0
   33    37    40    41   0.34800  1.0 3.0
   33    37    40    43   0.09700  1.0 1.0
   33    37    40    43   0.15600 -1.0 2.0
   33    37    40    43  -0.50800  1.0 3.0
   33    37    40    44   0.09700  1.0 1.0
   33    37    40    44   0.15600 -1.0 2.0
   33    37    40    44  -0.50800  1.0 3.0
   37    33   -45    42   0.61850  1.0 1.0
   37    33   -45    42  -0.22750 -1.0 2.0
   37    33   -45    42   0.15300  1.0 3.0
   37    33    45    46   0.15000  1.0 3.0
   37    33    45    47   0.15000  1.0 3.0
   37    33    55    50  -0.12500  1.0 1.0
   37    33    55    50  -0.12500 -1.0 2.0
   37    33    55    50   0.25000  1.0 3.0
   37    33    55    56  -0.12500  1.0 1.0
   37    33    55    56  -0.12500 -1.0 2.0
   37    33    55    56   0.25000  1.0 3.0
   37    38   -42    45  -2.26850  1.0 1.0
   37    38   -42    45   3.39050 -1.0 2.0
   37    40    43    48   0.18050 -1.0 2.0
   37    40    43    73   0.18050 -1.0 2.0
   37    40   -44    50  -0.28300  1.0 1.0
   37    40   -44    50   0.26700 -1.0 2.0
   37    40   -44    50  -0.63300  1.0 3.0
   37    40    44    51   0.09700  1.0 1.0
   37    40    44    51   0.15600 -1.0 2.0
   37    40    44    51  -0.50800  1.0 3.0
   38    37    40    41   0.00000  1.0 1.0
   38    37    40    43   1.44450  1.0 1.0
   38    37    40    43   0.06600 -1.0 2.0
   38    37    40    43   0.29250  1.0 3.0
   38    37    40    44  -0.28300  1.0 1.0
   38    37    40    44   0.26700 -1.0 2.0
   38    37    40    44  -0.63300  1.0 3.0
   38    42   -45    33  -0.46850  1.0 1.0
   38    42   -45    33   0.09300 -1.0 2.0
   38    42   -45    33  -0.12850  1.0 3.0
   38    42    45    46   0.08050  1.0 3.0
   38    42    45    47   0.08050  1.0 3.0
   39    38    42    45   2.00000 -1.0 2.0
   45    33   -37    38   0.09850  1.0 1.0
   45    33   -37    38   0.15250 -1.0 2.0
   45    33   -37    38  -0.50650  1.0 3.0
   45    33    37    40   0.46850  1.0 1.0
   45    33    37    40   0.08550 -1.0 2.0
   45    33    37    40   0.09800  1.0 3.0
   45    33    55    50   0.25450  1.0 1.0
   45    33    55    50  -0.61700 -1.0 2.0
   45    33    55    50  -0.23550  1.0 3.0
   45    33    55    56   0.00000  1.0 1.0
   40    37    38    39   7.00000 -1.0 2.0
   40    37    38    42   7.00000 -1.0 2.0
   40    43    48    49   3.62500 -1.0 2.0
   40    43    48    53   3.62500 -1.0 2.0
   40    43    73    67   3.62500 -1.0 2.0
   40    43    73    74   3.62500 -1.0 2.0
   40    44    50    55   7.00000 -1.0 2.0
   40    44    50    57   7.00000 -1.0 2.0
   40    44    51    52  -0.64400  1.0 1.0
   40    44    51    52   0.26850 -1.0 2.0
   40    44    51    61  -0.15000  1.0 1.0
   40    44    51    61   0.89550 -1.0 2.0
   40    44    51    61  -0.06900  1.0 3.0
   41    40    43    48   0.00000  1.0 1.0
   41    40    43    73   0.00000  1.0 1.0
   41    40    44    50   0.00000  1.0 1.0
   41    40    44    51   0.15000  1.0 3.0
   43    40    44    50   1.44450  1.0 1.0
   43    40    44    50   0.06600 -1.0 2.0
   43    40    44    50   0.29250  1.0 3.0
   43    40    44    51   0.09700  1.0 1.0
   43    40    44    51   0.15600 -1.0 2.0
   43    40    44    51  -0.50800  1.0 3.0
   43    48    53    54   3.62500 -1.0 2.0
   43    48    53    62   3.62500 -1.0 2.0
   43    73    74    75   1.11600 -1.0 2.0
   48    43    73    67   3.62500 -1.0 2.0
   48    43    73    74   3.62500 -1.0 2.0
   48    53    62    63   3.62500 -1.0 2.0
   48    53   -62    67   3.62500 -1.0 2.0
   49    48    53    54   3.62500 -1.0 2.0
   49    48    53    62   3.62500 -1.0 2.0
   53    62    67    68   3.62500 -1.0 2.0
   53    62    67    73   3.62500 -1.0 2.0
   54    53    62    63   3.62500 -1.0 2.0
   54    53    62    67   3.62500 -1.0 2.0
   62    67   -73    43   3.62500 -1.0 2.0
   62    67    73    74   3.62500 -1.0 2.0
   63    62    67    68   3.62500 -1.0 2.0
   63    62    67    73   3.62500 -1.0 2.0
   67    73    74    75   1.11600 -1.0 2.0
   68    67    73    43   3.62500 -1.0 2.0
   68    67    73    74   3.62500 -1.0 2.0
   73    43    48    49   3.62500 -1.0 2.0
   73    43   -48    53   3.62500 -1.0 2.0
   73    74    75    76   0.73750  1.0 1.0
   73    74    75    76  -2.02850 -1.0 2.0
   73    74    75    76   0.37850  1.0 3.0
   73    74    75    77   0.73750  1.0 1.0
   73    74    75    77  -2.02850 -1.0 2.0
   73    74    75    77   0.37850  1.0 3.0
   73    74    75    78   0.08050  1.0 3.0
   44    40    43    48   0.18050 -1.0 2.0
   44    40    43    73   0.18050 -1.0 2.0
   44    50   -55    33  -0.54700  1.0 1.0
   44    50   -55    33   1.23000 -1.0 2.0
   44    50    55    56   1.00000 -1.0 2.0
   44    50    57    58   0.00000  1.0 1.0
   44    50    57    59   0.00000  1.0 1.0
   44    50    57    60   0.00000  1.0 1.0
   44    51    61    64   2.00000 -1.0 2.0
   50    44    51    52   1.00000 -1.0 2.0
   50    44    51    61  -0.56150  1.0 1.0
   50    44    51    61   2.19150 -1.0 2.0
   55    33    37    38   0.62150  1.0 1.0
   55    33    37    38   0.42850 -1.0 2.0
   55    33    37    38  -0.68200  1.0 3.0
   55    33   -37    40   0.09700  1.0 1.0
   55    33   -37    40   0.15600 -1.0 2.0
   55    33   -37    40  -0.50800  1.0 3.0
   55    33    45    42   2.03850  1.0 1.0
   55    33    45    42  -0.40600 -1.0 2.0
   55    33    45    46   0.22950  1.0 3.0
   55    33    45    47   0.22950  1.0 3.0
   55    50    57    58  -0.18050  1.0 3.0
   55    50    57    59  -0.18050  1.0 3.0
   55    50    57    60  -0.18050  1.0 3.0
   57    50    55    33   1.00000 -1.0 2.0
   57    50    55    56   2.40850 -1.0 2.0
   51    44    50    55   7.00000 -1.0 2.0
   51    44    50    57   7.00000 -1.0 2.0
   51    61    64    65   0.08050  1.0 3.0
   51    61    64    66   0.08050  1.0 3.0
   51    61    64    69  -0.25900  1.0 1.0
   51    61    64    69  -0.47000 -1.0 2.0
   51    61    64    69   0.11750  1.0 3.0
   52    51    61    64   3.00000 -1.0 2.0
   61    64    69    70   0.23400  1.0 3.0
   61    64    69    71   0.23400  1.0 3.0
   61    64    69    72   0.23400  1.0 3.0
   65    64    69    70   0.15000  1.0 3.0
   65    64    69    71   0.15000  1.0 3.0
   65    64    69    72   0.15000  1.0 3.0
   66    64    69    70   0.15000  1.0 3.0
   66    64    69    71   0.15000  1.0 3.0
   66    64    69    72   0.15000  1.0 3.0
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    38   1.10000 -1.0 2.0
   39    42    38    37   1.10000 -1.0 2.0
   48    73    43    40   4.00000 -1.0 2.0
   53    49    48    43   1.10000 -1.0 2.0
   62    54    53    48   1.10000 -1.0 2.0
   67    63    62    53   1.10000 -1.0 2.0
   73    68    67    62   1.10000 -1.0 2.0
   67    74    73    43   4.00000 -1.0 2.0
   40    51    44    50   1.10000 -1.0 2.0
   57    55    50    44   1.10000 -1.0 2.0
   56    50    55    33   1.00000 -1.0 2.0
   44    61    51    52  10.50000 -1.0 2.0
END
