* LIGAND DATABASE FILE (OPLS2005)
*
001      88    92    166    271     491
    1     0 S   NP   _N1_     1    29.74844   101.08948   -17.27268
    2     1 S   H    _HN1     2     1.02776    73.80301  -104.94811
    3     1 S   H    _H1_     3     1.02954    56.21607    21.14579
    4     1 S   H    _H2_     4     1.02832    77.30751   141.84697
    5     1 S   CT   _CA1     5     1.50078   166.49722    13.82437
    6     5 S   HC   _HA1     6     1.09582   105.20564  -176.37107
    7     5 S   CO3  _C1_     7     1.53823   112.77730    63.63751
    8     7 S   O2Z  _O11     8     1.26360   115.04928   -37.08390
    9     7 S   O2Z  _O12     9     1.26337   115.02157   142.59782
   10     5 S   CT   _CB1    10     1.53184   107.44973   -58.50426
   11    10 S   HC   HB11    11     1.09801   109.32164   -52.23716
   12    10 S   HC   HB12    12     1.09814   110.41953    64.43061
   13    10 S   CT   _CG1    13     1.52827   112.43684  -173.48073
   14    13 S   HC   HG11    14     1.09360   109.96135   -65.57558
   15    13 S   HC   HG12    15     1.09658   110.05496    53.40803
   16    13 S   C    _CD1    16     1.51649   113.10958   174.07027
   17    16 S   O    _OE1    17     1.22683   123.45142    -5.66690
   18    16 S   N    _N2_    18     1.38592   111.28741   174.99688
   19    18 S   H    _HN2    19     1.01604   118.72254     3.46306
   20    18 S   CT1  _CA2    20     1.45735   123.15463   175.44327
   21    20 S   HC   _HA2    21     1.09708   109.20077    21.62351
   22    20 S   C    _C2_    22     1.52914   106.74333   -95.42010
   23    22 S   O    _O2_    23     1.22978   123.00030   -27.49588
   24    20 S   CT   _CB2    32     1.53102   111.78103   145.23888
   25    24 S   HC   HB21    33     1.09402   109.92690    51.71941
   26    24 S   HC   HB22    34     1.09514   110.15074   169.79583
   27    22 S   N    _N3_    24     1.38473   112.58025   155.36520
   28    27 S   H    _HN3    25     1.01656   120.39446    -2.12071
   29    24 S   S    _SG2    35     1.83081   110.83787   -71.54872
   30    27 S   CT   _CA3    26     1.45366   122.47592   178.57371
   31    30 S   HC   HA31    27     1.09567   107.81617   -56.01855
   32    30 S   HC   HA32    28     1.09565   107.60501    60.31927
   33    29 S   CT   _C22    36     1.88451   102.19220   144.72403
   34    30 S   CO3  _C3_    29     1.52895   114.31270  -177.87643
   35    34 S   O2Z  _O31    30     1.26338   116.04055     1.49894
   36    34 S   O2Z  _O32    31     1.26436   114.42069  -178.55490
   37    33 S   CO4  _C17    37     1.54440   108.30801    47.50490
   38    37 S   O    _O27    38     1.23072   122.70117    31.50789
   39    33 S   NT   _N25    70     1.49012   113.95710   165.98321
   40    37 S   CA   _C10    39     1.48999   119.20900  -152.09888
   41    39 S   CT1  _C21    71     1.47569   116.60768   -54.48411
   42    41 S   HC   _H40    72     1.09377   112.87588   -13.65201
   43    40 S   CA   _C9_    40     1.39733   120.33968     5.57067
   44    41 S   CO4  _C18    73     1.52132   103.02647   102.86224
   45    44 S   O    _O28    74     1.22125   126.11710  -164.94586
   46    41 S   CTE  _C27    76     1.55811   111.74994  -138.17128
   47    46 S   HC   _H52    77     1.09884   108.97164   -67.74471
   48    43 S   CA   _C5_    41     1.40315   120.56148  -177.32350
   49    48 S   HA   _H34    42     1.08751   121.11470  -179.98022
   50    43 S   CO4  _C16    50     1.47577   121.13144     3.15126
   51    50 S   O    _O26    51     1.22770   119.36174  -165.10786
   52    77 S   OS   _O29    75     1.42469   109.83202   129.20048
   53    46 S   CT   _C25    78     1.53734   110.38682   174.76078
   54    53 S   HC   _H47    79     1.09523   111.06710   -63.65857
   55    53 S   HC   _H48    80     1.09408   111.42495   175.71093
   56    53 S   HC   _H49    81     1.09301   111.80541    57.12995
   57    46 S   CT   _C26    82     1.54730   111.61379    51.58359
   58    57 S   HC   _H50    83     1.09644   109.89219    59.90665
   59    57 S   HC   _H51    84     1.09552   109.58544   -57.53832
   60    48 S   CA   _C4_    43     1.39237   120.27168    -0.57675
   61    60 S   HA   _H33    44     1.08625   120.10388  -179.77272
   62    33 S   CT   _C19    52     1.55040   108.86969   -72.53152
   63    62 S   HC   _H38    53     1.09744   109.97456    53.80226
   64    57 S   CT   _C24    85     1.52327   114.25088  -177.33700
   65    64 S   HC   _H44    86     1.09439   111.09297    52.33252
   66    64 S   HC   _H45    87     1.09360   111.70582   -69.26289
   67    64 S   HC   _H46    88     1.09506   109.89285   171.80466
   68    60 S   CA   _C6_    45     1.39023   119.78440     0.05595
   69    68 S   HA   _H35    46     1.08697   119.65544  -180.00000
   70    62 S   CA   _C12    54     1.51817   111.26118   -66.93864
   71    40 S   CA   _C14    47     1.40650   121.22775  -172.40622
   72    70 S   CA   _C11    55     1.40414   118.70123   -31.82933
   73    71 S   OH   _O30    48     1.36986   123.68539    -1.77310
   74    73 S   HO   _H53    49     0.97368   108.98591    -0.54500
   75    72 S   CA   _C7_    56     1.40637   119.41477  -178.23575
   76    75 S   HA   _H36    57     1.08863   119.50008  -179.88131
   77    72 S   CO   _C20    68     1.51192   121.00183     0.64407
   78    77 S   HC   _H39    69     1.09901   106.08073  -115.63711
   79    75 S   CA   _C13    58     1.39925   121.17212     0.36154
   80    79 S   CA   _C8_    59     1.39641   119.03123    -0.77329
   81    80 S   HA   _H37    60     1.08662   119.55179  -179.58551
   82    79 S   CT   _C23    64     1.49910   120.56521  -178.19528
   83    82 S   HC   _H41    65     1.09513   110.91671  -150.13233
   84    82 S   HC   _H42    66     1.09506   110.95289   -31.08529
   85    82 S   HC   _H43    67     1.09436   109.97155    89.40838
   86    70 S   CA   _C15    61     1.40150   122.12445   149.93789
   87    86 S   OH   _O33    62     1.36965   119.40471    -1.86928
   88    87 S   HO   _H54    63     0.97453   108.59591  -178.28001
  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
  20   2   1   1  14   5  18  12  18   8  12   9   3  14   8   9
   4   8   3   5   7   3   2   1   6   5   4   5   3   8   3   3
   2   1   1   4   2  11   2   9   1   1  11   4   3   1   8   8
   3   4   2   1   1   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    62    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    50    62    63    70    77    39    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    43    71    50    51    62    63    70    72    86    77    78    39    41    42    44    52    46  
   35    36  
   36  
    0  
   38    40    43    48    68    71    73    50    62    63    70    77    39    41  
   40    43    71    62    39  
   41    42    44    45    52    46    47    53    57    40    50    62    63    70    72    75    77    78  
   43    48    49    60    68    69    71    73    74    50    51    62  
   42    44    45    52    46    47    53    54    55    56    57    58    59    64    62    72    77    78  
   44    45    52    46    47    53    57    77  
   48    49    60    61    68    71    73    50    51    62    63    70  
   45    52    46    47    53    57    72    77    78  
   52    46    77  
   47    53    54    55    56    57    58    59    64    65    66    67    52    77  
   53    54    55    56    57    58    59    64  
   49    60    61    68    69    71    50    51    62  
   60    61    68    50  
   51    62    63    70    72    86    60    71  
   62    63    70  
   70    72    75    77    78  
   54    55    56    57    58    59    64  
   55    56    57  
   56    57  
   57  
   58    59    64    65    66    67  
   59    64    65    66    67  
   64    65    66    67  
   61    68    69    71    73  
   68    69    71  
   63    70    72    75    80    86    87    77  
   70    72    86  
   65    66    67  
   66    67  
   67  
    0  
   69    71    73    74  
   71    73  
   72    75    76    79    80    81    86    87    88    77    78  
   73    74  
   75    76    79    80    86    87    82    77    78  
   74  
    0  
   76    79    80    81    86    82    83    84    85    77    78  
   79    80    82    77  
   78    79    86  
    0  
   80    81    86    87    82    83    84    85  
   81    86    87    88    82    83    84    85  
   86    87    82  
   83    84    85    86  
   84    85  
   85  
    0  
   87    88  
   88  
    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   0.377500   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   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.3000   0.1700  -0.455000   1.9050   1.6860   0.051222218  -2.220205820
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.0000   0.1700  -0.302500   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5000   0.0660   0.360000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.100000   1.3810   1.2100   0.008598240   0.268726247
   79   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   87   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    62   268.000  1.529
   33    39   382.000  1.448
   37    38   570.000  1.229
   37    40   310.000  1.470
   40    43   469.000  1.400
   40    71   469.000  1.400
   43    48   469.000  1.400
   43    50   310.000  1.470
   48    49   367.000  1.080
   48    60   469.000  1.400
   60    61   367.000  1.080
   60    68   469.000  1.400
   68    69   367.000  1.080
   68    71   469.000  1.400
   71    73   450.000  1.364
   73    74   553.000  0.945
   50    51   570.000  1.229
   50    62   317.000  1.522
   62    63   340.000  1.090
   62    70   317.000  1.510
   70    72   469.000  1.400
   70    86   469.000  1.400
   72    75   469.000  1.400
   72    77   270.000  1.504
   75    76   367.000  1.080
   75    79   469.000  1.400
   79    80   469.000  1.400
   79    82   317.000  1.510
   80    81   367.000  1.080
   80    86   469.000  1.400
   86    87   450.000  1.364
   87    88   553.000  0.945
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   77    78   340.000  1.090
   77    39   340.000  1.430
   77    52   320.000  1.380
   39    41   305.000  1.457
   41    42   340.000  1.090
   41    44   255.000  1.522
   41    46   268.000  1.529
   44    45   570.000  1.229
   44    52   214.000  1.327
   46    47   340.000  1.090
   46    53   268.000  1.529
   46    57   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   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  110.18000
   29    33    62    75.00000  111.63000
   29    33    39    85.00000  109.00000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  115.47100
   33    62    50    63.00000  111.10000
   33    62    63    37.50000  110.70000
   33    62    70    70.00000  112.17500
   33    39    77    80.00000  111.82000
   33    39    41    51.80000  107.20000
   37    40    43    60.00000  119.52600
   37    40    71    60.00000  119.52600
   40    37    38    75.00000  123.78400
   40    43    48    63.00000  120.00000
   40    43    50    60.00000  119.52600
   40    71    68    63.00000  120.00000
   40    71    73    70.00000  120.00000
   43    48    49    35.00000  120.00000
   43    48    60    63.00000  120.00000
   43    50    51    75.00000  123.78400
   43    50    62    65.00000  115.47100
   48    60    61    35.00000  120.00000
   48    60    68    63.00000  120.00000
   60    48    49    35.00000  120.00000
   60    68    69    35.00000  120.00000
   60    68    71    63.00000  120.00000
   68    60    61    35.00000  120.00000
   68    71    73    70.00000  120.00000
   71    40    43    63.00000  120.00000
   71    68    69    35.00000  120.00000
   71    73    74    35.00000  113.00000
   50    43    48    60.00000  119.52600
   50    62    63    35.00000  109.50000
   50    62    70    70.00000  110.93000
   62    33    37    63.00000  111.10000
   62    50    51    80.00000  120.40000
   62    70    72    70.00000  120.00000
   62    70    86    70.00000  120.00000
   70    62    63    35.00000  109.50000
   70    72    75    63.00000  120.00000
   70    72    77    60.00000  120.68000
   70    86    80    63.00000  120.00000
   70    86    87    70.00000  120.00000
   72    75    76    35.00000  120.00000
   72    75    79    63.00000  120.00000
   72    77    78    45.00000  112.15300
   72    77    39    75.00000  112.33000
   72    77    52    90.00000  107.97000
   75    79    80    63.00000  120.00000
   75    79    82    70.00000  120.00000
   79    75    76    35.00000  120.00000
   79    80    81    35.00000  120.00000
   79    80    86    63.00000  120.00000
   79    82    83    35.00000  109.50000
   79    82    84    35.00000  109.50000
   79    82    85    35.00000  109.50000
   80    86    87    70.00000  120.00000
   86    70    72    63.00000  120.00000
   86    80    81    35.00000  120.00000
   86    87    88    35.00000  113.00000
   82    79    80    70.00000  120.00000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   77    72    75    60.00000  120.68000
   77    39    41    80.00000  111.82000
   77    52    44    95.00000  111.08000
   39    33    37    75.00000  112.82000
   39    33    62    56.20000  109.47000
   39    77    78    50.00000  110.45300
   39    41    42    50.00000  109.55000
   39    41    44    75.00000  112.91400
   39    41    46    75.00000  111.58000
   41    44    45    75.00000  123.42600
   41    44    52    90.00000  109.72300
   41    46    47    37.50000  110.70000
   41    46    53    58.35000  112.70000
   41    46    57    58.35000  112.70000
   44    41    42    45.00000  110.09800
   52    77    78    35.00000  109.50000
   52    77    39   100.00000  112.06800
   52    44    45    83.00000  123.40000
   46    41    42    37.50000  110.70000
   46    41    44    63.00000  111.10000
   46    53    54    37.50000  110.70000
   46    53    55    37.50000  110.70000
   46    53    56    37.50000  110.70000
   46    57    58    37.50000  110.70000
   46    57    59    37.50000  110.70000
   46    57    64    58.35000  112.70000
   53    46    47    37.50000  110.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   57    46    47    37.50000  110.70000
   57    46    53    58.35000  112.70000
   57    64    65    37.50000  110.70000
   57    64    66    37.50000  110.70000
   57    64    67    37.50000  110.70000
   59    57    58    33.00000  107.80000
   64    57    58    37.50000  110.70000
   64    57    59    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    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   0.01700  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    62   0.01700  1.0 1.0
   24    29    33    62  -0.23550 -1.0 2.0
   24    29    33    62   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    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    62    50   0.56750  1.0 1.0
   29    33    62    50  -0.07550 -1.0 2.0
   29    33    62    50   0.20000  1.0 3.0
   29    33    62    63   0.15000  1.0 3.0
   29    33    62    70   0.56750  1.0 1.0
   29    33    62    70  -0.07550 -1.0 2.0
   29    33    62    70   0.20000  1.0 3.0
   29    33    39    77   0.23200  1.0 1.0
   29    33    39    77   0.02100 -1.0 2.0
   29    33    39    77   0.24950  1.0 3.0
   29    33    39    41   0.23200  1.0 1.0
   29    33    39    41   0.02100 -1.0 2.0
   29    33    39    41   0.24950  1.0 3.0
   33    37    40    43   2.26350  1.0 1.0
   33    37    40    43   0.76750 -1.0 2.0
   33    37    40    43   0.22500  1.0 3.0
   33    37    40    71   2.26350  1.0 1.0
   33    37    40    71   0.76750 -1.0 2.0
   33    37    40    71   0.22500  1.0 3.0
   33    62    70    72   0.04150 -1.0 2.0
   33    62    70    86   0.04150 -1.0 2.0
   33    39    41    42   0.28000  1.0 3.0
   33    39    41    44  -1.76800  1.0 1.0
   33    39    41    44   1.02600 -1.0 2.0
   33    39    41    44   0.19700  1.0 3.0
   33    39    41    46   0.23450  1.0 1.0
   33    39    41    46   0.02050 -1.0 2.0
   33    39    41    46   0.25250  1.0 3.0
   37    33    62    50   0.11950  1.0 1.0
   37    33    62    50   0.20300 -1.0 2.0
   37    33    62    50  -0.70800  1.0 3.0
   37    33    62    63  -0.11250  1.0 3.0
   37    33    62    70   0.56750  1.0 1.0
   37    33    62    70  -0.07550 -1.0 2.0
   37    33    62    70   0.20000  1.0 3.0
   37    33    39    77  -1.76800  1.0 1.0
   37    33    39    77   1.02600 -1.0 2.0
   37    33    39    77   0.19700  1.0 3.0
   37    33    39    41  -1.76800  1.0 1.0
   37    33    39    41   1.02600 -1.0 2.0
   37    33    39    41   0.19700  1.0 3.0
   37    40    43    48   3.62500 -1.0 2.0
   37    40   -43    50   3.62500 -1.0 2.0
   37    40    71    68   3.62500 -1.0 2.0
   37    40    71    73   3.62500 -1.0 2.0
   38    37    40    43   1.05000 -1.0 2.0
   38    37    40    71   1.05000 -1.0 2.0
   40    43    48    49   3.62500 -1.0 2.0
   40    43    48    60   3.62500 -1.0 2.0
   40    43    50    51   1.05000 -1.0 2.0
   40    43    50    62   2.26350  1.0 1.0
   40    43    50    62   0.76750 -1.0 2.0
   40    43    50    62   0.22500  1.0 3.0
   40    71    73    74   0.84100 -1.0 2.0
   43    40    71    68   3.62500 -1.0 2.0
   43    40    71    73   3.62500 -1.0 2.0
   43    48    60    61   3.62500 -1.0 2.0
   43    48   -60    68   3.62500 -1.0 2.0
   43    50   -62    33   0.05850 -1.0 2.0
   43    50   -62    33   0.17250  1.0 3.0
   43    50    62    63   0.00000  1.0 1.0
   43    50    62    70   0.65300  1.0 1.0
   43    50    62    70  -0.03850 -1.0 2.0
   43    50    62    70   0.33900  1.0 3.0
   48    43    50    51   1.05000 -1.0 2.0
   48    43    50    62   2.26350  1.0 1.0
   48    43    50    62   0.76750 -1.0 2.0
   48    43    50    62   0.22500  1.0 3.0
   48    60    68    69   3.62500 -1.0 2.0
   48    60    68    71   3.62500 -1.0 2.0
   49    48    60    61   3.62500 -1.0 2.0
   49    48    60    68   3.62500 -1.0 2.0
   60    68   -71    40   3.62500 -1.0 2.0
   60    68    71    73   3.62500 -1.0 2.0
   61    60    68    69   3.62500 -1.0 2.0
   61    60    68    71   3.62500 -1.0 2.0
   68    71    73    74   0.84100 -1.0 2.0
   69    68    71    40   3.62500 -1.0 2.0
   69    68    71    73   3.62500 -1.0 2.0
   71    40   -43    48   3.62500 -1.0 2.0
   71    40    43    50   3.62500 -1.0 2.0
   50    43    48    49   3.62500 -1.0 2.0
   50    43    48    60   3.62500 -1.0 2.0
   50    62    70    72   0.04300 -1.0 2.0
   50    62    70    86   0.04300 -1.0 2.0
   51    50    62    33   0.30150 -1.0 2.0
   51    50    62    63   0.00000  1.0 1.0
   51    50    62    70   0.30150 -1.0 2.0
   62    33    37    38   0.30150 -1.0 2.0
   62    33   -37    40   0.05850 -1.0 2.0
   62    33   -37    40   0.17250  1.0 3.0
   62    33    39    77   0.23450  1.0 1.0
   62    33    39    77   0.02050 -1.0 2.0
   62    33    39    77   0.25250  1.0 3.0
   62    33    39    41   0.23450  1.0 1.0
   62    33    39    41   0.02050 -1.0 2.0
   62    33    39    41   0.25250  1.0 3.0
   62    70    72    75   3.62500 -1.0 2.0
   62    70   -72    77   3.62500 -1.0 2.0
   62    70    86    80   3.62500 -1.0 2.0
   62    70    86    87   3.62500 -1.0 2.0
   63    62    70    72   0.00000  1.0 1.0
   63    62    70    86   0.00000  1.0 1.0
   70    72    75    76   3.62500 -1.0 2.0
   70    72    75    79   3.62500 -1.0 2.0
   70    72    77    78   0.00000  1.0 1.0
   70    72    77    39   0.18550 -1.0 2.0
   70    72    77    39   0.14000  1.0 3.0
   70    72    77    52   0.64500  1.0 1.0
   70    72    77    52   0.14800 -1.0 2.0
   70    72    77    52   0.20650  1.0 3.0
   70    86    87    88   0.84100 -1.0 2.0
   72    70    86    80   3.62500 -1.0 2.0
   72    70    86    87   3.62500 -1.0 2.0
   72    75   -79    80   3.62500 -1.0 2.0
   72    75    79    82   3.62500 -1.0 2.0
   72    77   -39    33   0.82600  1.0 1.0
   72    77   -39    33  -0.32100 -1.0 2.0
   72    77   -39    33   1.02000  1.0 3.0
   72    77    39    41   0.82600  1.0 1.0
   72    77    39    41  -0.32100 -1.0 2.0
   72    77    39    41   1.02000  1.0 3.0
   72    77    52    44  -0.43900 -1.0 2.0
   72    77    52    44   0.14100  1.0 3.0
   75    72    77    78   0.00000  1.0 1.0
   75    72    77    39   0.18550 -1.0 2.0
   75    72    77    39   0.14000  1.0 3.0
   75    72    77    52   0.64500  1.0 1.0
   75    72    77    52   0.14800 -1.0 2.0
   75    72    77    52   0.20650  1.0 3.0
   75    79    80    81   3.62500 -1.0 2.0
   75    79    80    86   3.62500 -1.0 2.0
   75    79    82    83   0.00000  1.0 1.0
   75    79    82    84   0.00000  1.0 1.0
   75    79    82    85   0.00000  1.0 1.0
   76    75    79    80   3.62500 -1.0 2.0
   76    75    79    82   3.62500 -1.0 2.0
   79    80   -86    70   3.62500 -1.0 2.0
   79    80    86    87   3.62500 -1.0 2.0
   80    79    82    83   0.00000  1.0 1.0
   80    79    82    84   0.00000  1.0 1.0
   80    79    82    85   0.00000  1.0 1.0
   80    86    87    88   0.84100 -1.0 2.0
   81    80    86    70   3.62500 -1.0 2.0
   81    80    86    87   3.62500 -1.0 2.0
   86    70   -72    75   3.62500 -1.0 2.0
   86    70    72    77   3.62500 -1.0 2.0
   82    79    80    81   3.62500 -1.0 2.0
   82    79    80    86   3.62500 -1.0 2.0
   77    72    75    76   3.62500 -1.0 2.0
   77    72    75    79   3.62500 -1.0 2.0
   77    39    41    42   0.10550  1.0 3.0
   77    39   -41    44  -1.76800  1.0 1.0
   77    39   -41    44   1.02600 -1.0 2.0
   77    39   -41    44   0.19700  1.0 3.0
   77    39    41    46   0.23450  1.0 1.0
   77    39    41    46   0.02050 -1.0 2.0
   77    39    41    46   0.25250  1.0 3.0
   78    77    39    33   0.28000  1.0 3.0
   78    77    39    41   0.28000  1.0 3.0
   78    77    52    44   0.08050  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    40   0.65300  1.0 1.0
   39    33    37    40  -0.03850 -1.0 2.0
   39    33    37    40   0.33900  1.0 3.0
   39    33    62    50  -3.56550  1.0 1.0
   39    33    62    50  -0.67500 -1.0 2.0
   39    33    62    50   1.11300  1.0 3.0
   39    33    62    63   0.15000  1.0 3.0
   39    33   -62    70   0.83750  1.0 1.0
   39    33   -62    70   0.32200 -1.0 2.0
   39    33   -62    70   0.70600  1.0 3.0
   39    77   -52    44  -0.24150  1.0 1.0
   39    77   -52    44  -0.46200 -1.0 2.0
   39    77   -52    44   0.11700  1.0 3.0
   39    41    44    45   0.30150 -1.0 2.0
   39    41   -44    52   0.40000  1.0 3.0
   39    41    46    47   0.15000  1.0 3.0
   39    41    46    53   1.53400  1.0 1.0
   39    41    46    53  -0.09950 -1.0 2.0
   39    41    46    53   0.05700  1.0 3.0
   39    41    46    57   1.53400  1.0 1.0
   39    41    46    57  -0.09950 -1.0 2.0
   39    41    46    57   0.05700  1.0 3.0
   41    44   -52    77   1.63150  1.0 1.0
   41    44   -52    77   2.92000 -1.0 2.0
   41    46    53    54   0.15000  1.0 3.0
   41    46    53    55   0.15000  1.0 3.0
   41    46    53    56   0.15000  1.0 3.0
   41    46    57    58   0.15000  1.0 3.0
   41    46    57    59   0.15000  1.0 3.0
   41    46    57    64   0.65000  1.0 1.0
   41    46    57    64  -0.02500 -1.0 2.0
   41    46    57    64   0.10000  1.0 3.0
   42    41    44    45   0.00000  1.0 1.0
   42    41    44    52   0.00000  1.0 1.0
   42    41    46    47   0.15000  1.0 3.0
   42    41    46    53   0.15000  1.0 3.0
   42    41    46    57   0.15000  1.0 3.0
   44    41    46    47  -0.03800  1.0 3.0
   44    41    46    53   0.33900  1.0 1.0
   44    41    46    53   0.63800 -1.0 2.0
   44    41    46    57   0.33900  1.0 1.0
   44    41    46    57   0.63800 -1.0 2.0
   45    44    52    77   3.00000 -1.0 2.0
   52    77    39    33   1.00600  1.0 1.0
   52    77    39    33  -1.41450 -1.0 2.0
   52    77    39    33   0.25150  1.0 3.0
   52    77   -39    41   1.00600  1.0 1.0
   52    77   -39    41  -1.41450 -1.0 2.0
   52    77   -39    41   0.25150  1.0 3.0
   46    41    44    45   0.00000  1.0 1.0
   46    41    44    52   0.36750  1.0 3.0
   46    57    64    65   0.15000  1.0 3.0
   46    57    64    66   0.15000  1.0 3.0
   46    57    64    67   0.15000  1.0 3.0
   47    46    53    54   0.15000  1.0 3.0
   47    46    53    55   0.15000  1.0 3.0
   47    46    53    56   0.15000  1.0 3.0
   47    46    57    58   0.15000  1.0 3.0
   47    46    57    59   0.15000  1.0 3.0
   47    46    57    64   0.15000  1.0 3.0
   53    46    57    58   0.15000  1.0 3.0
   53    46    57    59   0.15000  1.0 3.0
   53    46    57    64   0.65000  1.0 1.0
   53    46    57    64  -0.02500 -1.0 2.0
   53    46    57    64   0.10000  1.0 3.0
   57    46    53    54   0.15000  1.0 3.0
   57    46    53    55   0.15000  1.0 3.0
   57    46    53    56   0.15000  1.0 3.0
   58    57    64    65   0.15000  1.0 3.0
   58    57    64    66   0.15000  1.0 3.0
   58    57    64    67   0.15000  1.0 3.0
   59    57    64    65   0.15000  1.0 3.0
   59    57    64    66   0.15000  1.0 3.0
   59    57    64    67   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  10.50000 -1.0 2.0
   43    71    40    37   4.00000 -1.0 2.0
   48    50    43    40   4.00000 -1.0 2.0
   60    49    48    43   1.10000 -1.0 2.0
   68    61    60    48   1.10000 -1.0 2.0
   71    69    68    60   1.10000 -1.0 2.0
   68    73    71    40   4.00000 -1.0 2.0
   43    62    50    51  10.50000 -1.0 2.0
   72    86    70    62   4.00000 -1.0 2.0
   75    77    72    70   4.00000 -1.0 2.0
   79    76    75    72   1.10000 -1.0 2.0
   80    82    79    75   4.00000 -1.0 2.0
   86    81    80    79   1.10000 -1.0 2.0
   80    87    86    70   4.00000 -1.0 2.0
   41    52    44    45  10.50000 -1.0 2.0
END
