* LIGAND DATABASE FILE (OPLS2005)
*
001      89    90    160    232     458
    1     0 S   NP   _N1_     1    28.59145    92.77233   -21.54422
    2     1 S   H    _HN1     2     1.02777    93.52760   -85.98697
    3     1 S   H    _H1_     3     1.02966   103.69694    23.85518
    4     1 S   H    _H2_     4     1.02837    17.32556   127.24894
    5     1 S   CT   _CA1     5     1.50129   126.66023   152.75032
    6     5 S   HC   _HA1     6     1.09575   105.23792    51.25050
    7     5 S   CO3  _C1_     7     1.53805   112.36965   -68.94013
    8     7 S   O2Z  _O11     8     1.26350   115.00317   -43.57704
    9     7 S   O2Z  _O12     9     1.26243   114.92213   135.56862
   10     5 S   CT   _CB1    10     1.53094   107.41462   169.14342
   11    10 S   HC   HB11    11     1.09817   109.33304   -50.76490
   12    10 S   HC   HB12    12     1.09826   110.40816    65.79052
   13    10 S   CT   _CG1    13     1.52992   112.67428  -171.94034
   14    13 S   HC   HG11    14     1.09538   110.28273   -62.09792
   15    13 S   HC   HG12    15     1.09636   110.13745    56.99223
   16    13 S   C    _CD1    16     1.51817   112.24763   177.10376
   17    16 S   O    _OE1    17     1.22735   123.18516   -11.57209
   18    16 S   N    _N2_    18     1.38608   111.72630   169.33696
   19    18 S   H    _HN2    19     1.01585   118.99699     0.53155
   20    18 S   CT1  _CA2    20     1.46136   123.35324  -179.16163
   21    20 S   HC   _HA2    21     1.09726   109.50160   -13.28889
   22    20 S   C    _C2_    22     1.53385   107.84199  -129.16937
   23    22 S   O    _O2_    23     1.23038   122.40099  -140.51669
   24    20 S   CT   _CB2    32     1.53471   111.79888   109.10761
   25    24 S   HC   HB21    33     1.09484   109.10310    55.51166
   26    24 S   HC   HB22    34     1.09394   109.30996   174.54152
   27    22 S   N    _N3_    24     1.38526   113.23380    46.31773
   28    27 S   H    _HN3    25     1.01529   119.02893    -0.32686
   29    24 S   S    _SG2    35     1.82375   112.03653   -65.06983
   30    27 S   CT   _CA3    26     1.45408   123.08308   175.33843
   31    30 S   HC   HA31    27     1.09545   108.89867    31.67622
   32    30 S   HC   HA32    28     1.09488   107.25757   148.60844
   33    29 S   CT   _C11    36     1.87806   102.54913  -174.32411
   34    30 S   CO3  _C3_    29     1.52923   113.13224   -91.54111
   35    34 S   O2Z  _O31    30     1.26394   115.36733   -47.06891
   36    34 S   O2Z  _O32    31     1.26353   114.99200   133.75215
   37    33 S   CM   _C7_    37     1.56159   107.58329  -165.27281
   38    33 S   CT   _C12    76     1.55983   114.14745   -42.05756
   39    38 S   HC   _H10    77     1.09444   112.03394   -44.74052
   40    38 S   HC   _H11    78     1.09807   109.46363  -164.63534
   41    37 S   CT   _C8_    38     1.56054   117.75108  -115.82756
   42    41 S   HC   _H3_    39     1.09685   104.42951  -131.59727
   43    37 S   CMA  _C6_    66     1.37910   123.18960    68.21837
   44    43 S   OM   _O37    67     1.26995   125.44416   175.97752
   45    38 S   OS   _O34    79     1.43488   111.40436    76.75187
   46    41 S   CA   _C18    40     1.53718   112.86464   109.48643
   47    41 S   CM   _C9_    51     1.51459   114.95778   -17.94092
   48    43 S   OS   _O33    68     1.41530   112.66104    -2.51396
   49    45 S   CT   _C13    80     1.42636   112.17296  -179.80317
   50    49 S   HC   _H12    81     1.09567   109.48017    57.15386
   51    49 S   HC   _H13    82     1.09597   109.72287   -62.42042
   52    46 S   CA   _C19    41     1.40916   119.39475   -58.20925
   53    52 S   HA   _H25    42     1.08584   120.54203    -0.33338
   54    47 S   CM   _C10    52     1.34211   122.19746    20.18836
   55    47 S   CO4  _C16    59     1.48078   117.41945  -162.70439
   56    55 S   O    _O35    60     1.22136   124.16727  -113.60898
   57    48 S   CT   _C5_    69     1.43275   114.58792  -138.44608
   58    57 S   HC   _H7_    70     1.09582   110.30819   -69.22452
   59    57 S   HC   _H8_    71     1.09658   110.27459    52.20300
   60    49 S   CT   _C14    83     1.51926   108.37951   176.24542
   61    60 S   HC   _H14    84     1.09391   111.75149   -53.25398
   62    60 S   HC   _H15    85     1.09302   111.99233  -177.67207
   63    52 S   CA   _C20    43     1.39622   121.54009  -179.73166
   64    63 S   HA   _H26    44     1.08620   119.87961  -179.65113
   65    33 S   NE   _N4_    53     1.46142   105.76005    74.87027
   66    65 S   H    _H9_    54     1.01491   115.45717   -57.59628
   67    54 S   CT   _C15    55     1.50596   125.02859   177.56747
   68    67 S   HC   _H19    56     1.09614   110.08295   130.89200
   69    67 S   HC   _H20    57     1.09299   113.62204    11.43273
   70    67 S   HC   _H21    58     1.09507   110.06351  -109.94208
   71    55 S   OS   _O36    61     1.35809   108.53112    66.59484
   72    57 S   CT   _C4_    72     1.51770   107.84281   171.64229
   73    72 S   HC   _H4_    73     1.09448   110.71544   -58.42226
   74    72 S   HC   _H5_    74     1.09503   110.55403    59.73671
   75    72 S   HC   _H6_    75     1.09338   110.92579  -179.42597
   76    60 S   NP   _N5_    86     1.48548   109.19478    63.91825
   77    76 S   H    _H16    87     1.02834   111.29718  -176.92521
   78    76 S   H    _H17    88     1.02841   111.80853    62.61494
   79    76 S   H    _H18    89     1.02933   110.75067   -57.32638
   80    63 S   CA   _C21    45     1.38925   120.00920     0.57505
   81    80 S   HA   _H27    46     1.08590   120.14585   179.96574
   82    71 S   CT   _C17    62     1.42990   115.04424  -179.18123
   83    82 S   HC   _H22    63     1.09325   108.11427   178.51128
   84    82 S   HC   _H23    64     1.09433   110.37127    59.80432
   85    82 S   HC   _H24    65     1.09420   110.22753   -62.78445
   86    80 S   CA   _C22    47     1.39221   119.73303     0.48416
   87    86 S   HA   _H28    48     1.08742   118.92020   179.23281
   88    46 S   CA   _C23    49     1.40960   123.09217   123.76444
   89    88 S   Cl   Cl1_    50     1.73087   122.72578     0.70109
  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
  17   2   1   1  18  12   4   3  18   7   9   2   8  12  13   7
   9   5   4   8   4   9   8   2   6   5   4   6   5   4   6   3
   5   1   3   2   1   1   4   3   2   1   1   3   2   1   1   5
   3   3   2   1   1   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    65    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    54    65    66    43    38    39    40    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    46    47    54    65    66    67    43    44    48    38    39    40    45    49  
   35    36  
   36  
    0  
   41    42    46    52    88    47    54    65    66    55    43    44    48    57    38    39    40    45  
   39    40    45    49    50    51    60    41    43    54    65    66  
   40    45    49    65  
   45    49    65  
   42    46    52    53    63    86    88    89    47    54    65    67    55    56    71    43    44    48  
   46    52    88    47    54    55    43  
   44    48    57    58    59    72    46    47    65  
   48    57  
   49    50    51    60    61    62    76    65  
   52    53    63    64    80    86    87    88    89    47    54    55  
   54    65    66    67    68    69    70    55    56    71    82    52    88  
   57    58    59    72    73    74    75  
   50    51    60    61    62    76    77    78    79  
   51    60    61    62    76  
   60    61    62    76  
   53    63    64    80    81    86    88    89  
   63    64    80    88  
   65    66    67    68    69    70    55    56    71  
   56    71    82    83    84    85    65    67  
   71    82  
   58    59    72    73    74    75  
   59    72    73    74    75  
   72    73    74    75  
   61    62    76    77    78    79  
   62    76    77    78    79  
   76    77    78    79  
   64    80    81    86    87    88  
   80    81    86  
   66    67    68    69    70  
   67  
   68    69    70  
   69    70  
   70  
    0  
   82    83    84    85  
   73    74    75  
   74    75  
   75  
    0  
   77    78    79  
   78    79  
   79  
    0  
   81    86    87    88    89  
   86    87    88  
   83    84    85  
   84    85  
   85  
    0  
   87    88    89  
   88    89  
   89  
    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   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5000   0.0660   0.364400   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.034400   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.2500   0.1700  -0.607000   1.8650   1.6500   0.051222218  -2.220205820
   66   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   77   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   78   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   79   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   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   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   84   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   85   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   86   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   87   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   88   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   89   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
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    65   382.000  1.448
   33    38   268.000  1.529
   37    41   317.000  1.510
   37    43   465.000  1.376
   41    42   340.000  1.090
   41    46   317.000  1.510
   41    47   317.000  1.510
   46    52   469.000  1.400
   46    88   469.000  1.400
   52    53   367.000  1.080
   52    63   469.000  1.400
   63    64   367.000  1.080
   63    80   469.000  1.400
   80    81   367.000  1.080
   80    86   469.000  1.400
   86    87   367.000  1.080
   86    88   469.000  1.400
   88    89   300.000  1.725
   47    54   549.000  1.340
   47    55   320.000  1.462
   54    65   425.000  1.378
   54    67   317.000  1.510
   65    66   434.000  1.010
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   55    56   570.000  1.229
   55    71   214.000  1.327
   71    82   320.000  1.410
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   43    44   745.000  1.250
   43    48   440.000  1.360
   48    57   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    45   320.000  1.410
   45    49   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    76   367.000  1.471
   76    77   434.000  1.010
   76    78   434.000  1.010
   76    79   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  112.20000
   29    33    65    80.00000  108.62000
   29    33    38    75.00000  111.63000
   33    37    41    65.00000  117.92700
   33    37    43    70.00000  124.00000
   33    65    54    50.00000  121.00000
   33    65    66    35.00000  112.50000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    45    50.00000  109.50000
   37    41    42    35.00000  109.50000
   37    41    46    70.00000  112.99600
   37    41    47    70.00000  110.12100
   37    43    44    65.00000  137.10300
   37    43    48    80.00000  120.01400
   41    46    52    70.00000  120.00000
   41    46    88    70.00000  120.00000
   41    47    54    70.00000  124.00000
   41    47    55    65.00000  116.34900
   46    41    42    35.00000  109.50000
   46    52    53    35.00000  120.00000
   46    52    63    63.00000  120.00000
   46    88    86    63.00000  120.00000
   46    88    89    75.00000  120.00000
   52    63    64    35.00000  120.00000
   52    63    80    63.00000  120.00000
   63    52    53    35.00000  120.00000
   63    80    81    35.00000  120.00000
   63    80    86    63.00000  120.00000
   80    63    64    35.00000  120.00000
   80    86    87    35.00000  120.00000
   80    86    88    63.00000  120.00000
   86    80    81    35.00000  120.00000
   86    88    89    75.00000  120.00000
   88    46    52    63.00000  120.00000
   88    86    87    35.00000  120.00000
   47    41    42    35.00000  109.50000
   47    41    46    70.00000  112.99600
   47    54    65    70.00000  124.03900
   47    54    67    70.00000  124.00000
   47    55    56    80.00000  123.72100
   47    55    71    90.00000  111.29400
   54    65    66    35.00000  114.50000
   54    67    68    35.00000  109.50000
   54    67    69    35.00000  109.50000
   54    67    70    35.00000  109.50000
   65    33    37    80.00000  112.42400
   67    54    65    75.00000  116.24600
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   55    47    54    65.00000  118.96000
   55    71    82    83.00000  116.90000
   71    55    56    83.00000  123.40000
   71    82    83    35.00000  109.50000
   71    82    84    35.00000  109.50000
   71    82    85    35.00000  109.50000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   43    37    41    70.00000  124.00000
   43    48    57    90.00000  111.18400
   48    43    44    65.00000  121.00000
   48    57    58    35.00000  109.50000
   48    57    59    35.00000  109.50000
   48    57    72    50.00000  109.50000
   57    72    73    37.50000  110.70000
   57    72    74    37.50000  110.70000
   57    72    75    37.50000  110.70000
   59    57    58    33.00000  107.80000
   72    57    58    37.50000  110.70000
   72    57    59    37.50000  110.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    65    80.00000  111.61500
   38    45    49    60.00000  109.50000
   40    38    39    33.00000  107.80000
   45    38    39    35.00000  109.50000
   45    38    40    35.00000  109.50000
   45    49    50    35.00000  109.50000
   45    49    51    35.00000  109.50000
   45    49    60    50.00000  109.50000
   49    60    61    37.50000  110.70000
   49    60    62    37.50000  110.70000
   49    60    76    80.00000  111.20000
   51    49    50    33.00000  107.80000
   60    49    50    37.50000  110.70000
   60    49    51    37.50000  110.70000
   60    76    77    35.00000  109.50000
   60    76    78    35.00000  109.50000
   60    76    79    35.00000  109.50000
   62    60    61    33.00000  107.80000
   76    60    61    35.00000  109.50000
   76    60    62    35.00000  109.50000
   78    76    77    35.00000  109.50000
   79    76    77    35.00000  109.50000
   79    76    78    35.00000  109.50000
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    65   0.01700  1.0 1.0
   24    29    33    65  -0.23550 -1.0 2.0
   24    29    33    65   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    41   0.30250  1.0 1.0
   29    33    37    41  -0.14950 -1.0 2.0
   29    33    37    41   0.36900  1.0 3.0
   29    33    37    43   0.42700  1.0 1.0
   29    33    37    43  -0.70350 -1.0 2.0
   29    33    37    43  -0.43150  1.0 3.0
   29    33    65    54  -0.12500  1.0 1.0
   29    33    65    54  -0.12500 -1.0 2.0
   29    33    65    54   0.25000  1.0 3.0
   29    33    65    66  -0.12500  1.0 1.0
   29    33    65    66  -0.12500 -1.0 2.0
   29    33    65    66   0.25000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   33    37    41    42   0.34800  1.0 3.0
   33    37    41    46   0.09700  1.0 1.0
   33    37    41    46   0.15600 -1.0 2.0
   33    37    41    46  -0.50800  1.0 3.0
   33    37    41    47   0.09700  1.0 1.0
   33    37    41    47   0.15600 -1.0 2.0
   33    37    41    47  -0.50800  1.0 3.0
   33    37    43    44   7.00000 -1.0 2.0
   33    37    43    48   7.00000 -1.0 2.0
   33    38    45    49   0.06250  1.0 1.0
   33    38    45    49  -0.01100 -1.0 2.0
   33    38    45    49   0.28050  1.0 3.0
   37    33    65    54  -0.12500  1.0 1.0
   37    33    65    54  -0.12500 -1.0 2.0
   37    33    65    54   0.25000  1.0 3.0
   37    33    65    66  -0.12500  1.0 1.0
   37    33    65    66  -0.12500 -1.0 2.0
   37    33    65    66   0.25000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    45   0.61850  1.0 1.0
   37    33    38    45  -0.22750 -1.0 2.0
   37    33    38    45   0.15300  1.0 3.0
   37    41    46    52   0.18050 -1.0 2.0
   37    41    46    88   0.18050 -1.0 2.0
   37    41   -47    54  -0.28300  1.0 1.0
   37    41   -47    54   0.26700 -1.0 2.0
   37    41   -47    54  -0.63300  1.0 3.0
   37    41    47    55   0.09700  1.0 1.0
   37    41    47    55   0.15600 -1.0 2.0
   37    41    47    55  -0.50800  1.0 3.0
   37    43    48    57  -2.26850  1.0 1.0
   37    43    48    57   3.39050 -1.0 2.0
   41    37    43    44   7.00000 -1.0 2.0
   41    37    43    48   7.00000 -1.0 2.0
   41    46    52    53   3.62500 -1.0 2.0
   41    46    52    63   3.62500 -1.0 2.0
   41    46    88    86   3.62500 -1.0 2.0
   41    46    88    89   3.62500 -1.0 2.0
   41    47    54    65   7.00000 -1.0 2.0
   41    47    54    67   7.00000 -1.0 2.0
   41    47    55    56  -0.64400  1.0 1.0
   41    47    55    56   0.26850 -1.0 2.0
   41    47    55    71  -0.15000  1.0 1.0
   41    47    55    71   0.89550 -1.0 2.0
   41    47    55    71  -0.06900  1.0 3.0
   42    41    46    52   0.00000  1.0 1.0
   42    41    46    88   0.00000  1.0 1.0
   42    41    47    54   0.00000  1.0 1.0
   42    41    47    55   0.15000  1.0 3.0
   46    41    47    54   1.44450  1.0 1.0
   46    41    47    54   0.06600 -1.0 2.0
   46    41    47    54   0.29250  1.0 3.0
   46    41    47    55   0.09700  1.0 1.0
   46    41    47    55   0.15600 -1.0 2.0
   46    41    47    55  -0.50800  1.0 3.0
   46    52    63    64   3.62500 -1.0 2.0
   46    52    63    80   3.62500 -1.0 2.0
   52    46    88    86   3.62500 -1.0 2.0
   52    46    88    89   3.62500 -1.0 2.0
   52    63    80    81   3.62500 -1.0 2.0
   52    63   -80    86   3.62500 -1.0 2.0
   53    52    63    64   3.62500 -1.0 2.0
   53    52    63    80   3.62500 -1.0 2.0
   63    80    86    87   3.62500 -1.0 2.0
   63    80    86    88   3.62500 -1.0 2.0
   64    63    80    81   3.62500 -1.0 2.0
   64    63    80    86   3.62500 -1.0 2.0
   80    86   -88    46   3.62500 -1.0 2.0
   80    86    88    89   3.62500 -1.0 2.0
   81    80    86    87   3.62500 -1.0 2.0
   81    80    86    88   3.62500 -1.0 2.0
   87    86    88    46   3.62500 -1.0 2.0
   87    86    88    89   3.62500 -1.0 2.0
   88    46    52    53   3.62500 -1.0 2.0
   88    46   -52    63   3.62500 -1.0 2.0
   47    41    46    52   0.18050 -1.0 2.0
   47    41    46    88   0.18050 -1.0 2.0
   47    54   -65    33  -0.54700  1.0 1.0
   47    54   -65    33   1.23000 -1.0 2.0
   47    54    65    66   1.00000 -1.0 2.0
   47    54    67    68   0.00000  1.0 1.0
   47    54    67    69   0.00000  1.0 1.0
   47    54    67    70   0.00000  1.0 1.0
   47    55    71    82   2.00000 -1.0 2.0
   54    47    55    56   1.00000 -1.0 2.0
   54    47    55    71  -0.56150  1.0 1.0
   54    47    55    71   2.19150 -1.0 2.0
   65    33   -37    41   0.09700  1.0 1.0
   65    33   -37    41   0.15600 -1.0 2.0
   65    33   -37    41  -0.50800  1.0 3.0
   65    33    37    43   0.62150  1.0 1.0
   65    33    37    43   0.42850 -1.0 2.0
   65    33    37    43  -0.68200  1.0 3.0
   65    33    38    39   0.22950  1.0 3.0
   65    33    38    40   0.22950  1.0 3.0
   65    33    38    45   2.03850  1.0 1.0
   65    33    38    45  -0.40600 -1.0 2.0
   65    54    67    68  -0.18050  1.0 3.0
   65    54    67    69  -0.18050  1.0 3.0
   65    54    67    70  -0.18050  1.0 3.0
   67    54    65    33   1.00000 -1.0 2.0
   67    54    65    66   2.40850 -1.0 2.0
   55    47    54    65   7.00000 -1.0 2.0
   55    47    54    67   7.00000 -1.0 2.0
   55    71    82    83   0.08050  1.0 3.0
   55    71    82    84   0.08050  1.0 3.0
   55    71    82    85   0.08050  1.0 3.0
   56    55    71    82   3.00000 -1.0 2.0
   43    37    41    42   0.00000  1.0 1.0
   43    37    41    46   1.44450  1.0 1.0
   43    37    41    46   0.06600 -1.0 2.0
   43    37    41    46   0.29250  1.0 3.0
   43    37    41    47  -0.28300  1.0 1.0
   43    37    41    47   0.26700 -1.0 2.0
   43    37    41    47  -0.63300  1.0 3.0
   43    48    57    58   0.08050  1.0 3.0
   43    48    57    59   0.08050  1.0 3.0
   43    48    57    72  -0.46850  1.0 1.0
   43    48    57    72   0.09300 -1.0 2.0
   43    48    57    72  -0.12850  1.0 3.0
   44    43    48    57   2.00000 -1.0 2.0
   48    57    72    73   0.23400  1.0 3.0
   48    57    72    74   0.23400  1.0 3.0
   48    57    72    75   0.23400  1.0 3.0
   58    57    72    73   0.15000  1.0 3.0
   58    57    72    74   0.15000  1.0 3.0
   58    57    72    75   0.15000  1.0 3.0
   59    57    72    73   0.15000  1.0 3.0
   59    57    72    74   0.15000  1.0 3.0
   59    57    72    75   0.15000  1.0 3.0
   38    33    37    41   0.46850  1.0 1.0
   38    33    37    41   0.08550 -1.0 2.0
   38    33    37    41   0.09800  1.0 3.0
   38    33    37    43   0.09850  1.0 1.0
   38    33    37    43   0.15250 -1.0 2.0
   38    33    37    43  -0.50650  1.0 3.0
   38    33    65    54   0.25450  1.0 1.0
   38    33    65    54  -0.61700 -1.0 2.0
   38    33    65    54  -0.23550  1.0 3.0
   38    33    65    66   0.00000  1.0 1.0
   38    45    49    50   0.37050  1.0 3.0
   38    45    49    51   0.37050  1.0 3.0
   38    45    49    60   0.06250  1.0 1.0
   38    45    49    60  -0.01100 -1.0 2.0
   38    45    49    60   0.28050  1.0 3.0
   39    38    45    49   0.37050  1.0 3.0
   40    38    45    49   0.37050  1.0 3.0
   45    49    60    61   0.23400  1.0 3.0
   45    49    60    62   0.23400  1.0 3.0
   45    49    60    76   1.69300  1.0 1.0
   45    49    60    76  -0.48450 -1.0 2.0
   49    60    76    77   0.17350  1.0 3.0
   49    60    76    78   0.17350  1.0 3.0
   49    60    76    79   0.17350  1.0 3.0
   50    49    60    61   0.15000  1.0 3.0
   50    49    60    62   0.15000  1.0 3.0
   50    49    60    76   0.19200  1.0 3.0
   51    49    60    61   0.15000  1.0 3.0
   51    49    60    62   0.15000  1.0 3.0
   51    49    60    76   0.19200  1.0 3.0
   61    60    76    77   0.13050  1.0 3.0
   61    60    76    78   0.13050  1.0 3.0
   61    60    76    79   0.13050  1.0 3.0
   62    60    76    77   0.13050  1.0 3.0
   62    60    76    78   0.13050  1.0 3.0
   62    60    76    79   0.13050  1.0 3.0
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    43   1.10000 -1.0 2.0
   52    88    46    41   4.00000 -1.0 2.0
   63    53    52    46   1.10000 -1.0 2.0
   80    64    63    52   1.10000 -1.0 2.0
   86    81    80    63   1.10000 -1.0 2.0
   88    87    86    80   1.10000 -1.0 2.0
   86    89    88    46   4.00000 -1.0 2.0
   41    55    47    54   1.10000 -1.0 2.0
   67    65    54    47   1.10000 -1.0 2.0
   66    54    65    33   1.00000 -1.0 2.0
   47    71    55    56  10.50000 -1.0 2.0
   44    48    43    37   1.10000 -1.0 2.0
END
