* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    151    241     435
    1     0 S   NP   _N1_     1    29.29061    98.08323   -19.71480
    2     1 S   H    _HN1     2     1.02784    82.77496   -90.92744
    3     1 S   H    _H1_     3     1.02949    68.85109    22.00942
    4     1 S   H    _H2_     4     1.02829    56.05922   151.77221
    5     1 S   CT   _CA1     5     1.50126   163.57957   112.51878
    6     5 S   HC   _HA1     6     1.09572   105.19029    93.36080
    7     5 S   CO3  _C1_     7     1.53865   112.45515   -26.83127
    8     7 S   O2Z  _O11     8     1.26386   115.00997   -41.11043
    9     7 S   O2Z  _O12     9     1.26245   114.99137   138.00899
   10     5 S   CT   _CB1    10     1.53100   107.39714  -148.63113
   11    10 S   HC   HB11    11     1.09830   109.51093   -48.96587
   12    10 S   HC   HB12    12     1.09780   110.39393    67.61632
   13    10 S   CT   _CG1    13     1.52929   112.53206  -169.84079
   14    13 S   HC   HG11    14     1.09506   110.71329   -62.58659
   15    13 S   HC   HG12    15     1.09680   109.71285    56.40152
   16    13 S   C    _CD1    16     1.51827   112.43182   176.77596
   17    16 S   O    _OE1    17     1.22699   123.40867     3.34814
   18    16 S   N    _N2_    18     1.38579   111.45591  -176.32726
   19    18 S   H    _HN2    19     1.01593   118.71651     0.78335
   20    18 S   CT1  _CA2    20     1.46215   123.74979   176.64573
   21    20 S   HC   _HA2    21     1.09724   109.54759    -0.76310
   22    20 S   C    _C2_    22     1.53529   108.24576  -116.15233
   23    22 S   O    _O2_    23     1.23041   122.36151  -147.39731
   24    20 S   CT   _CB2    32     1.53254   111.08901   121.70301
   25    24 S   HC   HB21    33     1.09464   109.56867    51.84919
   26    24 S   HC   HB22    34     1.09499   110.86081   170.35567
   27    22 S   N    _N3_    24     1.38361   113.60583    40.09712
   28    27 S   H    _HN3    25     1.01603   119.56449    -3.37986
   29    24 S   S    _SG2    35     1.83187   111.27872   -71.03320
   30    27 S   CT   _CA3    26     1.45284   123.18167   177.10484
   31    30 S   HC   HA31    27     1.09550   107.52085   -64.31049
   32    30 S   HC   HA32    28     1.09558   107.96425    52.11492
   33    29 S   CT   _C8_    36     1.87937   101.05707   141.28670
   34    30 S   CO3  _C3_    29     1.52950   114.10512   174.11630
   35    34 S   O2Z  _O31    30     1.26370   116.07611    -0.21670
   36    34 S   O2Z  _O32    31     1.26430   114.40908   179.83214
   37    33 S   CO4  _C9_    37     1.51920   106.07638    57.92947
   38    37 S   O    _O34    38     1.22299   125.64865   -99.13599
   39    33 S   CT   _C10    55     1.55399   109.08270   -73.95325
   40    39 S   HC   _H6_    56     1.09852   110.17840    29.90201
   41    37 S   CD   _C4_    39     1.52113   117.13540    75.89167
   42    39 S   CT   _C16    57     1.53643   114.50305   147.66412
   43    42 S   HC   _H15    58     1.09392   112.11174    55.89444
   44    42 S   HC   _H16    59     1.09395   109.89156   -64.76424
   45    41 S   CT   _C5_    40     1.51578   120.57471    16.81784
   46    45 S   HC   _H4_    41     1.09747   106.62031  -123.71460
   47    42 S   OS   _O36    60     1.43884   109.12078   179.07254
   48    41 S   NI   _N4_    77     1.29410   118.55467  -162.32964
   49    48 S   H    _H3_    78     1.02779   110.00186    -0.64710
   50    45 S   CO4  _C6_    42     1.51858   115.53759    -5.11086
   51    50 S   O    _O33    43     1.23002   121.13647  -160.02875
   52    47 S   CO4  _C17    61     1.36118   115.95953  -173.21759
   53    52 S   O    _O37    62     1.22509   125.51446    -0.82424
   54    45 S   CT   _C18    73     1.52640   109.63036   117.83943
   55    54 S   HC   _H19    74     1.09615   111.12600   -60.57739
   56    54 S   HC   _H20    75     1.09540   111.18366   179.55633
   57    54 S   HC   _H21    76     1.09520   111.28060    59.30155
   58    33 S   CT1  _C7_    44     1.52999   113.07244   174.95197
   59    58 S   HC   _H5_    45     1.09889   110.52418  -169.90092
   60    52 S   N    _N7_    63     1.36839   110.17927   179.20181
   61    60 S   H    _H17    64     1.01321   121.05904  -179.91607
   62    60 S   H    _H18    65     1.01354   121.03887    -0.18345
   63    58 S   NTH0 _N5_    46     1.46276   103.97326    70.54376
   64    63 S   CT   _C12    47     1.47686   113.87320   159.32608
   65    64 S   HC   _H9_    48     1.09536   108.48083   134.72929
   66    64 S   HC   _H10    49     1.09584   113.47605    15.42191
   67    64 S   C3T  _C13    50     1.49187   106.45491  -107.63651
   68    67 S   HC   _H7_    51     1.07852   116.02057  -142.80422
   69    67 S   C3T  _C14    52     1.48439   109.10040    -2.83780
   70    69 S   HC   _H8_    53     1.08036   120.04407  -140.58510
   71    63 S   CO   _C11    54     1.49695   105.90642    39.18926
   72    67 S   NTH  _N6_    71     1.44652   120.96918    62.95622
   73    72 S   H    _H11    72     1.01650   110.61861     9.18729
   74    71 S   OS   _O35    66     1.44532   112.88320  -130.85784
   75    74 S   CT   _C15    67     1.42009   116.83643   -50.32516
   76    75 S   HC   _H12    68     1.09256   107.91494  -177.81197
   77    75 S   HC   _H13    69     1.09329   111.06837    64.50244
   78    75 S   HC   _H14    70     1.09292   111.50642   -59.41782
  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
  20   2   1   1  15   5  19   9  11  11   4   3  12   8   6   3
   1  10   4   4   3   4   2   1   1   9   3   2   1   1  11  10
   6   5   7   5   6   4   7   2   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    58    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    50    58    59    63    71    39    40    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    45    50    51    58    59    63    64    69    71    39    40    42    43    44    47    74    48  
   35    36  
   36  
    0  
   38    41    45    46    50    58    59    63    71    39    40    42    54    48    49  
   41    45    58    39    48  
   40    42    43    44    47    52    74    75    72    41    50    58    59    63    64    67    69    70    71  
   42    43    44    47    74    58    63    69    71  
   45    46    50    51    58    54    55    56    57    48    49  
   43    44    47    52    53    60    74    58    63    69    71  
   44    47    52    71  
   47    52    71  
   46    50    51    58    59    63    54    55    56    57    48    49  
   50    51    58    54    55    56    57    48  
   52    53    60    61    62    71  
   49    50    54  
    0  
   51    58    59    63    64    71    54    55    56    57  
   58    59    63    54  
   53    60    61    62  
   60    61    62  
   55    56    57    58  
   56    57  
   57  
    0  
   59    63    64    65    66    67    69    71    74  
   63    64    71  
   61    62  
   62  
    0  
   64    65    66    67    68    69    70    71    74    75    72  
   65    66    67    68    69    70    71    74    72    73  
   66    67    68    69    71    72  
   67    68    69    71    72  
   68    69    70    71    74    72    73  
   69    70    71    72    73  
   70    71    74    75    72    73  
   71    74    72    73  
   74    75    76    77    78    72    73  
   73    74  
    0  
   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   0.167500   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.353600   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   44   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   45   3.5000   0.0660  -0.023900   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.2800   0.1700  -0.672400   1.8540   1.6400   0.005000000   0.000000000
   49   0.5000   0.0300   0.282700   0.9960   0.8600   0.030040813  -0.651083722
   50   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   61   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   62   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   63   3.3000   0.1700  -0.455000   1.9050   1.6860   0.051222218  -2.220205820
   64   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.322500   1.9750   1.7500   0.005000000  -0.741685710
   72   3.3000   0.1700  -0.625000   2.1120   1.8750   0.051222218  -2.220205820
   73   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   74   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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  1.522
   33    58   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    41   275.000  1.494
   41    45   270.000  1.508
   41    48   500.000  1.261
   45    46   340.000  1.090
   45    50   317.000  1.522
   45    54   268.000  1.529
   50    51   570.000  1.229
   50    58   255.000  1.522
   58    59   340.000  1.090
   58    63   310.000  1.447
   63    64   310.000  1.447
   63    71   310.000  1.447
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   275.000  1.510
   67    68   340.000  1.088
   67    69   260.000  1.509
   67    72   315.000  1.448
   69    70   340.000  1.088
   69    71   275.000  1.510
   69    72   315.000  1.448
   71    39   250.000  1.527
   71    74   320.000  1.380
   39    40   340.000  1.090
   39    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    47   320.000  1.410
   47    52   214.000  1.327
   52    53   570.000  1.229
   52    60   435.000  1.380
   60    61   434.000  1.010
   60    62   434.000  1.010
   74    75   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   72    73   500.000  1.015
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   48    49   434.000  1.010
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  110.18000
   29    33    58    75.00000  108.68000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    41    60.00000  115.38000
   33    58    50    70.00000  110.61500
   33    58    59    37.50000  110.70000
   33    58    63    75.00000  113.73300
   33    39    71    75.00000  109.43000
   33    39    40    37.50000  110.70000
   33    39    42    58.35000  112.70000
   37    41    45    60.00000  116.68000
   37    41    48    60.00000  126.98800
   41    37    38    75.00000  122.07900
   41    45    46    45.00000  109.49600
   41    45    50    70.00000  109.29000
   41    45    54    70.00000  111.76100
   41    48    49    35.00000  113.00000
   45    50    51    80.00000  120.40000
   45    50    58    65.00000  117.09000
   45    54    55    37.50000  110.70000
   45    54    56    37.50000  110.70000
   45    54    57    37.50000  110.70000
   50    45    46    35.00000  109.50000
   50    58    59    45.00000  110.09800
   50    58    63    75.00000  112.91400
   58    33    37    63.00000  111.10000
   58    50    51    75.00000  123.42600
   58    63    64    80.00000  110.40700
   58    63    71    80.00000  110.40700
   63    58    59    50.00000  110.15500
   63    64    65    50.00000  110.15500
   63    64    66    50.00000  110.15500
   63    64    67    75.00000  113.73300
   63    71    69    75.00000  113.73300
   63    71    39    75.00000  113.73300
   63    71    74   100.00000  112.06800
   64    67    68    40.00000  115.04500
   64    67    69    60.00000  120.94000
   64    67    72    80.00000  111.29100
   66    64    65    33.00000  107.80000
   67    64    65    45.00000  109.38400
   67    64    66    45.00000  109.38400
   67    69    70    37.50000  117.20000
   67    69    71    60.00000  120.94000
   67    69    72    30.00000   60.00000
   67    72    69    10.00000   60.00000
   67    72    73    50.00000  109.23200
   69    67    68    37.50000  117.20000
   69    71    39    65.00000  112.71400
   69    71    74    90.00000  108.56700
   69    72    73    50.00000  109.23200
   71    63    64    80.00000  110.40700
   71    69    70    40.00000  115.04500
   71    39    40    45.00000  108.72000
   71    39    42    75.00000  109.43000
   71    74    75    60.00000  109.50000
   39    33    37    63.00000  111.10000
   39    33    58    58.35000  112.70000
   39    42    43    37.50000  110.70000
   39    42    44    37.50000  110.70000
   39    42    47    50.00000  109.50000
   42    39    40    37.50000  110.70000
   42    47    52    83.00000  116.90000
   44    42    43    33.00000  107.80000
   47    42    43    35.00000  109.50000
   47    42    44    35.00000  109.50000
   47    52    53    83.00000  123.40000
   47    52    60   110.00000  108.75700
   52    60    61    50.00000  116.34900
   52    60    62    50.00000  116.34900
   60    52    53    85.00000  125.96000
   62    60    61    35.00000  120.00000
   74    71    39    90.00000  108.56700
   74    75    76    35.00000  109.50000
   74    75    77    35.00000  109.50000
   74    75    78    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   72    67    68    50.00000  110.59500
   72    67    69    30.00000   60.00000
   72    69    70    50.00000  110.59500
   72    69    71    80.00000  104.84000
   54    45    46    37.50000  110.70000
   54    45    50    63.00000  111.10000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   48    41    45    65.00000  122.10100
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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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   0.30150 -1.0 2.0
   29    33    37    41   0.65300  1.0 1.0
   29    33    37    41  -0.03850 -1.0 2.0
   29    33    37    41   0.33900  1.0 3.0
   29    33    58    50  -2.17200  1.0 1.0
   29    33    58    50  -0.85700 -1.0 2.0
   29    33    58    59   0.15000  1.0 3.0
   29    33    58    63   0.56750  1.0 1.0
   29    33    58    63  -0.07550 -1.0 2.0
   29    33    58    63   0.20000  1.0 3.0
   29    33    39    71   0.44750  1.0 1.0
   29    33    39    71  -0.17800 -1.0 2.0
   29    33    39    71   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    42   0.44750  1.0 1.0
   29    33    39    42  -0.17800 -1.0 2.0
   29    33    39    42   0.20200  1.0 3.0
   33    37    41    45   0.25700  1.0 1.0
   33    37    41    45   0.66200 -1.0 2.0
   33    37    41    45   0.04450  1.0 3.0
   33    37    41    48   1.50000 -1.0 2.0
   33    58    63    64   1.99000  1.0 1.0
   33    58    63    64   0.18800 -1.0 2.0
   33    58    63    64   0.81350  1.0 3.0
   33    58   -63    71   1.99000  1.0 1.0
   33    58   -63    71   0.18800 -1.0 2.0
   33    58   -63    71   0.81350  1.0 3.0
   33    39    42    43   0.15000  1.0 3.0
   33    39    42    44   0.15000  1.0 3.0
   33    39    42    47   0.62750  1.0 1.0
   33    39    42    47  -0.30950 -1.0 2.0
   33    39    42    47   0.27300  1.0 3.0
   37    33    58    50  -0.84850  1.0 1.0
   37    33    58    50  -0.22800 -1.0 2.0
   37    33    58    50   0.29250  1.0 3.0
   37    33    58    59  -0.03800  1.0 3.0
   37    33    58    63  -3.56550  1.0 1.0
   37    33    58    63  -0.67500 -1.0 2.0
   37    33    58    63   1.11300  1.0 3.0
   37    33    39    71  -0.95700  1.0 1.0
   37    33    39    71  -0.18200 -1.0 2.0
   37    33    39    71   0.29450  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    42  -0.95700  1.0 1.0
   37    33    39    42  -0.18200 -1.0 2.0
   37    33    39    42   0.29450  1.0 3.0
   37    41    45    46   0.00000  1.0 1.0
   37    41   -45    50   0.00000  1.0 1.0
   37    41    45    54   0.00000  1.0 1.0
   37    41    48    49   6.00000 -1.0 2.0
   38    37    41    45   1.00000 -1.0 2.0
   38    37    41    48   1.00000 -1.0 2.0
   41    45    50    51   0.30150 -1.0 2.0
   41    45    50    58   0.65300  1.0 1.0
   41    45    50    58  -0.03850 -1.0 2.0
   41    45    50    58   0.33900  1.0 3.0
   41    45    54    55   0.15000  1.0 3.0
   41    45    54    56   0.15000  1.0 3.0
   41    45    54    57   0.15000  1.0 3.0
   45    41    48    49   6.00000 -1.0 2.0
   45    50   -58    33   0.60050  1.0 1.0
   45    50   -58    33   0.05600 -1.0 2.0
   45    50   -58    33   0.26150  1.0 3.0
   45    50    58    59   0.00000  1.0 1.0
   45    50    58    63  -0.05600  1.0 1.0
   45    50    58    63   0.24350 -1.0 2.0
   45    50    58    63   1.01150  1.0 3.0
   46    45    50    51   0.00000  1.0 1.0
   46    45    50    58   0.00000  1.0 1.0
   46    45    54    55   0.15000  1.0 3.0
   46    45    54    56   0.15000  1.0 3.0
   46    45    54    57   0.15000  1.0 3.0
   50    45    54    55  -0.11250  1.0 3.0
   50    45    54    56  -0.11250  1.0 3.0
   50    45    54    57  -0.11250  1.0 3.0
   50    58    63    64  -1.76800  1.0 1.0
   50    58    63    64   1.02600 -1.0 2.0
   50    58    63    64   0.19700  1.0 3.0
   50    58    63    71  -1.76800  1.0 1.0
   50    58    63    71   1.02600 -1.0 2.0
   50    58    63    71   0.19700  1.0 3.0
   51    50    58    33   0.00000  1.0 1.0
   51    50    58    59   0.00000  1.0 1.0
   51    50    58    63   0.30150 -1.0 2.0
   58    33    37    38   0.30150 -1.0 2.0
   58    33   -37    41   0.65300  1.0 1.0
   58    33   -37    41  -0.03850 -1.0 2.0
   58    33   -37    41   0.33900  1.0 3.0
   58    33   -39    71   3.97050  1.0 1.0
   58    33    39    40   0.15000  1.0 3.0
   58    33    39    42   0.56750  1.0 1.0
   58    33    39    42  -0.07550 -1.0 2.0
   58    33    39    42   0.20000  1.0 3.0
   58    63    64    65   0.28000  1.0 3.0
   58    63    64    66   0.28000  1.0 3.0
   58    63    64    67   1.99000  1.0 1.0
   58    63    64    67   0.18800 -1.0 2.0
   58    63    64    67   0.81350  1.0 3.0
   58    63    71    69   1.99000  1.0 1.0
   58    63    71    69   0.18800 -1.0 2.0
   58    63    71    69   0.81350  1.0 3.0
   58    63   -71    39   1.99000  1.0 1.0
   58    63   -71    39   0.18800 -1.0 2.0
   58    63   -71    39   0.81350  1.0 3.0
   58    63    71    74   1.00600  1.0 1.0
   58    63    71    74  -1.41450 -1.0 2.0
   58    63    71    74   0.25150  1.0 3.0
   59    58    63    64   0.28000  1.0 3.0
   59    58    63    71   0.10550  1.0 3.0
   63    64    67    68   0.15000  1.0 3.0
   63    64   -67    69   1.53400  1.0 1.0
   63    64   -67    69  -0.09950 -1.0 2.0
   63    64   -67    69   0.05700  1.0 3.0
   63    64    67    72   2.32150  1.0 1.0
   63    71   -39    33   1.53400  1.0 1.0
   63    71   -39    33  -0.09950 -1.0 2.0
   63    71   -39    33   0.05700  1.0 3.0
   63    71    39    40   0.15000  1.0 3.0
   63    71    39    42   1.53400  1.0 1.0
   63    71    39    42  -0.09950 -1.0 2.0
   63    71    39    42   0.05700  1.0 3.0
   63    71    74    75  -1.02450  1.0 1.0
   63    71    74    75  -0.46500 -1.0 2.0
   63    71    74    75   0.47400  1.0 3.0
   64    63   -71    69   1.99000  1.0 1.0
   64    63   -71    69   0.18800 -1.0 2.0
   64    63   -71    69   0.81350  1.0 3.0
   64    63    71    39   1.99000  1.0 1.0
   64    63    71    39   0.18800 -1.0 2.0
   64    63    71    39   0.81350  1.0 3.0
   64    63    71    74   1.00600  1.0 1.0
   64    63    71    74  -1.41450 -1.0 2.0
   64    63    71    74   0.25150  1.0 3.0
   64    67    69    70   0.15000  1.0 3.0
   64    67   -69    71   3.97050  1.0 1.0
   64    67   -69    72   1.53400  1.0 1.0
   64    67   -69    72  -0.09950 -1.0 2.0
   64    67   -69    72   0.05700  1.0 3.0
   64    67   -72    69  -0.35450  1.0 1.0
   64    67   -72    69   0.44050 -1.0 2.0
   64    67   -72    69   0.77100  1.0 3.0
   64    67    72    73   0.03200  1.0 1.0
   64    67    72    73   0.33800 -1.0 2.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    72   0.15000  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    72   0.15000  1.0 3.0
   67    69   -71    63   1.53400  1.0 1.0
   67    69   -71    63  -0.09950 -1.0 2.0
   67    69   -71    63   0.05700  1.0 3.0
   67    69    71    39   0.07850  1.0 1.0
   67    69    71    39  -0.03950 -1.0 2.0
   67    69    71    39   0.67350  1.0 3.0
   67    69    71    74  -0.26800  1.0 1.0
   67    69    71    74   0.69150 -1.0 2.0
   67    69    71    74  -0.48750  1.0 3.0
   67    69   -72    73   0.03200  1.0 1.0
   67    69   -72    73   0.33800 -1.0 2.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    71   0.15000  1.0 3.0
   68    67   -69    72   0.15000  1.0 3.0
   68    67   -72    69   0.28000  1.0 3.0
   68    67    72    73   0.20000  1.0 3.0
   69    67   -72    73   0.03200  1.0 1.0
   69    67   -72    73   0.33800 -1.0 2.0
   69    71    39    33   0.47050  1.0 1.0
   69    71    39    33   0.03900 -1.0 2.0
   69    71    39    33   0.20100  1.0 3.0
   69    71    39    40   0.15000  1.0 3.0
   69    71    39    42   0.47050  1.0 1.0
   69    71    39    42   0.03900 -1.0 2.0
   69    71    39    42   0.20100  1.0 3.0
   69    71    74    75   0.06250  1.0 1.0
   69    71    74    75  -0.01100 -1.0 2.0
   69    71    74    75   0.28050  1.0 3.0
   70    69    71    63   0.15000  1.0 3.0
   70    69    71    39   0.15000  1.0 3.0
   70    69    71    74   0.23400  1.0 3.0
   70    69   -72    67   0.28000  1.0 3.0
   70    69    72    73   0.20000  1.0 3.0
   71    63    64    65   0.10550  1.0 3.0
   71    63    64    66   0.10550  1.0 3.0
   71    63   -64    67   1.99000  1.0 1.0
   71    63   -64    67   0.18800 -1.0 2.0
   71    63   -64    67   0.81350  1.0 3.0
   71    69   -72    67  -0.35450  1.0 1.0
   71    69   -72    67   0.44050 -1.0 2.0
   71    69   -72    67   0.77100  1.0 3.0
   71    69    72    73   0.03200  1.0 1.0
   71    69    72    73   0.33800 -1.0 2.0
   71    39    42    43   0.15000  1.0 3.0
   71    39    42    44   0.15000  1.0 3.0
   71    39    42    47   0.62750  1.0 1.0
   71    39    42    47  -0.30950 -1.0 2.0
   71    39    42    47   0.27300  1.0 3.0
   71    74    75    76   0.37050  1.0 3.0
   71    74    75    77   0.37050  1.0 3.0
   71    74    75    78   0.37050  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    41   0.65300  1.0 1.0
   39    33    37    41  -0.03850 -1.0 2.0
   39    33    37    41   0.33900  1.0 3.0
   39    33    58    50  -0.84850  1.0 1.0
   39    33    58    50  -0.22800 -1.0 2.0
   39    33    58    50   0.29250  1.0 3.0
   39    33    58    59   0.15000  1.0 3.0
   39    33   -58    63   1.53400  1.0 1.0
   39    33   -58    63  -0.09950 -1.0 2.0
   39    33   -58    63   0.05700  1.0 3.0
   39    71    74    75   0.06250  1.0 1.0
   39    71    74    75  -0.01100 -1.0 2.0
   39    71    74    75   0.28050  1.0 3.0
   39    42    47    52  -0.25900  1.0 1.0
   39    42    47    52  -0.47000 -1.0 2.0
   39    42    47    52   0.11750  1.0 3.0
   40    39    42    43   0.15000  1.0 3.0
   40    39    42    44   0.15000  1.0 3.0
   40    39    42    47   0.23400  1.0 3.0
   42    47    52    53   3.00000 -1.0 2.0
   42    47    52    60  -0.80800  1.0 1.0
   42    47    52    60   2.06850 -1.0 2.0
   43    42    47    52   0.08050  1.0 3.0
   44    42    47    52   0.08050  1.0 3.0
   47    52    60    61   2.56700 -1.0 2.0
   47    52    60    62   2.56700 -1.0 2.0
   53    52    60    61   2.45000 -1.0 2.0
   53    52    60    62   2.45000 -1.0 2.0
   74    71    39    33   0.62750  1.0 1.0
   74    71    39    33  -0.30950 -1.0 2.0
   74    71    39    33   0.27300  1.0 3.0
   74    71    39    40   0.23400  1.0 3.0
   74    71    39    42   0.62750  1.0 1.0
   74    71    39    42  -0.30950 -1.0 2.0
   74    71    39    42   0.27300  1.0 3.0
   72    67   -69    70   0.15000  1.0 3.0
   72    67   -69    71   1.53400  1.0 1.0
   72    67   -69    71  -0.09950 -1.0 2.0
   72    67   -69    71   0.05700  1.0 3.0
   72    69   -71    63   2.32150  1.0 1.0
   72    69    71    39   1.53400  1.0 1.0
   72    69    71    39  -0.09950 -1.0 2.0
   72    69    71    39   0.05700  1.0 3.0
   72    69    71    74   2.01850  1.0 1.0
   72    69    71    74  -0.32950 -1.0 2.0
   72    69    71    74  -0.50350  1.0 3.0
   54    45    50    51   0.30150 -1.0 2.0
   54    45    50    58   0.60050  1.0 1.0
   54    45    50    58   0.05600 -1.0 2.0
   54    45    50    58   0.26150  1.0 3.0
   48    41    45    46   0.00000  1.0 1.0
   48    41    45    50   0.00000  1.0 1.0
   48    41    45    54   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    38  10.50000 -1.0 2.0
   37    45    41    48  10.50000 -1.0 2.0
   45    58    50    51  10.50000 -1.0 2.0
   47    60    52    53  10.50000 -1.0 2.0
   62    52    60    61   1.00000 -1.0 2.0
END
