* LIGAND DATABASE FILE (OPLS2005)
*
001      89    90    158    240     462
    1     0 S   NP   _N1_     1    29.45205    93.66883   -17.98683
    2     1 S   H    _HN1     2     1.02834   107.11044    37.80507
    3     1 S   H    _H1_     3     1.02984    36.06735   133.39754
    4     1 S   H    _H2_     4     1.02807    73.71442   -66.69761
    5     1 S   CT   _CA1     5     1.50462   136.17779  -171.78238
    6     5 S   HC   _HA1     6     1.09690   104.78582    32.19266
    7     5 S   CO3  _C1_     7     1.54261   110.91218   -84.22284
    8     7 S   O2Z  _O11     8     1.26056   116.42002  -104.92423
    9     7 S   O2Z  _O12     9     1.26548   114.03750    73.01946
   10     5 S   CT   _CB1    10     1.53173   107.01237   148.00317
   11    10 S   HC   HB11    11     1.09817   109.40391   -49.06825
   12    10 S   HC   HB12    12     1.09780   110.49671    67.41289
   13    10 S   CT   _CG1    13     1.53072   112.41286  -170.04803
   14    13 S   HC   HG11    14     1.09496   110.44505   -59.93516
   15    13 S   HC   HG12    15     1.09632   110.19713    58.84978
   16    13 S   C    _CD1    16     1.51872   111.99972   178.38954
   17    16 S   O    _OE1    17     1.22749   122.85573   -25.27575
   18    16 S   N    _N2_    18     1.38489   111.96954   156.36415
   19    18 S   H    _HN2    19     1.01597   118.95367    -1.03382
   20    18 S   CT1  _CA2    20     1.46333   123.84153  -179.81977
   21    20 S   HC   _HA2    21     1.09739   109.24787   -21.38253
   22    20 S   C    _C2_    22     1.53495   107.87761  -136.81951
   23    22 S   O    _O2_    23     1.22992   122.42837  -145.14672
   24    20 S   CT   _CB2    32     1.53503   111.20327   101.18726
   25    24 S   HC   HB21    33     1.09505   109.54182    47.91951
   26    24 S   HC   HB22    34     1.09475   111.07862   166.80605
   27    22 S   N    _N3_    24     1.38572   113.21204    42.26590
   28    27 S   H    _HN3    25     1.01539   118.89687    -0.53741
   29    24 S   S    _SG2    35     1.82742   111.67609   -74.28893
   30    27 S   CT   _CA3    26     1.45456   123.47098   175.12677
   31    30 S   HC   HA31    27     1.09520   109.26327    23.70622
   32    30 S   HC   HA32    28     1.09496   107.10680   140.71663
   33    29 S   CT   _C17    36     1.82856   100.04284   153.35476
   34    33 S   HC   _H19    37     1.09560   105.94072   126.11691
   35    33 S   HC   _H20    38     1.09432   110.64919    10.39048
   36    30 S   CO3  _C3_    29     1.52929   113.13108   -99.79258
   37    36 S   O2Z  _O31    30     1.26402   115.42060   -43.87555
   38    36 S   O2Z  _O32    31     1.26358   114.97592   137.07369
   39    33 S   CT   _C16    39     1.53920   112.96013  -114.55694
   40    39 S   HC   _H8_    40     1.09756   107.37401  -178.35479
   41    39 S   CT   _C15    41     1.53502   114.84528    60.59293
   42    41 S   HC   _H7_    42     1.09461   112.01112   -69.06102
   43    39 S   OH   _O41    88     1.42898   109.56893   -62.85526
   44    43 S   HO   _H21    89     0.97292   107.87024   -51.48172
   45    41 S   CO4  _C14    43     1.52883   111.39390   170.89884
   46    45 S   O    _O40    44     1.23265   121.69800  -102.81334
   47    41 S   OH   _O42    86     1.42157   110.41993    51.01393
   48    47 S   HO   _H22    87     0.97329   107.88660    63.82798
   49    45 S   CT   _C13    45     1.51079   116.82618    76.22663
   50    49 S   HC   _H17    46     1.09239   109.88061   -86.66655
   51    49 S   HC   _H18    47     1.09320   109.60065    35.46867
   52    49 S   NG   _N7_    48     1.46617   108.04538   154.47339
   53    52 S   H    _H16    49     1.01744   119.41440    15.35588
   54    52 S   CG   _C12    50     1.32962   123.64809  -162.57910
   55    54 S   HC   _H15    51     1.07200   113.42773   178.39489
   56    54 S   NG   _N6_    52     1.32192   127.20796    -1.57022
   57    56 S   H    _H14    53     1.01782   115.69029    -1.79384
   58    56 S   C5A  _C6_    54     1.40210   129.29694   178.92262
   59    58 S   C5B  _C5_    55     1.38866   122.21913   179.31016
   60    59 S   N5B  _N4_    56     1.37383   110.76105  -179.08957
   61    59 S   C    _C18    81     1.45291   126.83173     1.02832
   62    61 S   O    _O43    82     1.22789   122.78932     2.32658
   63    60 S   CRA  _C4_    57     1.31122   105.11477    -0.31898
   64    63 S   HA   _H9_    58     1.08243   124.60192   179.10584
   65    61 S   N    _N8_    83     1.37491   113.99376  -178.01121
   66    65 S   H    _H23    84     1.01543   121.86902     0.33862
   67    65 S   H    _H24    85     1.01377   120.79586   179.98022
   68    58 S   N*   _N5_    59     1.37854   132.85226    -1.73878
   69    68 S   CO   _C7_    60     1.45456   128.38622    -0.46855
   70    69 S   HC   _H3_    61     1.09400   106.61495    50.12283
   71    69 S   CT   _C8_    62     1.53323   116.15053   -75.41531
   72    71 S   HC   _H4_    63     1.09784   107.85315   142.49505
   73    71 S   CT   _C9_    64     1.51654   104.13135  -101.96007
   74    73 S   HC   _H5_    65     1.09376   112.45875  -154.73882
   75    71 S   OH   _O39    79     1.41143   114.39746    22.13721
   76    75 S   HO   _H13    80     0.97534   107.72271   176.62931
   77    73 S   CT   _C10    66     1.52243   101.03011   -34.47950
   78    77 S   HC   _H6_    67     1.09765   110.26248   -76.45979
   79    73 S   OH   _O38    77     1.42306   111.15050    85.09613
   80    79 S   HO   _H12    78     0.97056   108.94528   -68.32806
   81    69 S   OS   _O33    68     1.44553   109.63335   164.42338
   82    77 S   CT   _C11    69     1.52095   115.08177   158.09620
   83    82 S   HC   _H10    70     1.09418   110.50064    51.88603
   84    82 S   HC   _H11    71     1.09433   111.11244   -70.06089
   85    82 S   OS   _O34    72     1.42510   108.40773   170.90785
   86    85 S   P3   _P1_    73     1.65025   118.09429   177.14961
   87    86 S   O2Z  _O36    74     1.52489   103.56846   179.06226
   88    86 S   O2Z  _O37    75     1.52536   104.46142    59.29210
   89    86 S   O2Z  _O35    76     1.52540   104.44823   -61.16238
  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   7   5   4   3
  10   5   4   2   1   1  10   6  11   6   3   1   9   5   2   1
   7   4   3   6   3   6   3   8   3  12  10   7   6   3   6   2
   2   1   1   8  12   6  11   7  12   7   4   1   9   6   3   1
   4   7   3   2   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    47    43    44  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    45    46    49    47    48    43    44  
   41    42    45    47    43    44  
   42    45    46    49    50    51    52    47    48    43    44  
   45    46    49    47    48    43  
   44    45    47  
    0  
   46    49    50    51    52    53    54    47    48  
   49    50    51    52    47  
   48    49  
    0  
   50    51    52    53    54    55    56  
   51    52    53    54  
   52    53    54  
   53    54    55    56    57    58  
   54    55    56  
   55    56    57    58    59    68  
   56    57    58  
   57    58    59    60    63    68    69    61  
   58    59    68  
   59    60    63    64    68    69    70    71    81    61    62    65  
   60    63    64    68    69    61    62    65    66    67  
   63    64    68    69    61    62    65  
   62    65    66    67    63    68  
   65    66    67  
   64    68    69    70    71    81  
   68    69  
   66    67  
   67  
    0  
   69    70    71    72    73    77    81    75  
   70    71    72    73    74    77    78    81    82    79    75    76  
   71    72    73    77    81    75  
   72    73    74    77    78    81    82    79    80    75    76  
   73    74    77    81    79    75    76  
   74    77    78    81    82    83    84    85    79    80    75    76  
   77    78    81    82    79    80    75  
   76    77    79    81  
    0  
   78    81    82    83    84    85    86    79    80  
   81    82    83    84    85    79  
   80    81    82  
    0  
   82    83    84    85  
   83    84    85    86    87    88    89  
   84    85    86  
   85    86  
   86    87    88    89  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660   0.192400   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.2500   0.1700  -0.340900   2.2900   2.0360   0.003973653   1.685851020
   53   0.0000   0.0000   0.345100   0.9960   0.8600   0.030040813  -0.651083722
   54   2.2500   0.0500   0.227700   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.139100   1.4250   1.2500   0.008598240   0.268726247
   56   3.2500   0.1700  -0.228500   1.8650   1.6500   0.051222218  -2.220205820
   57   0.0000   0.0000   0.345100   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0700   0.101000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700   0.121500   2.0020   1.7750   0.001000000  -0.843144165
   60   3.2500   0.1700  -0.563000   1.8000   1.6000   0.001000000  -0.511443539
   61   3.7500   0.1050   0.638500   1.9250   1.7000   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   63   3.5500   0.0700   0.275000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.078000   1.3810   1.2100   0.030040813   0.268726247
   65   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   66   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   67   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   68   3.2500   0.1700   0.122000   1.8000   1.6000   0.001000000  -0.511443539
   69   3.5000   0.0660   0.027000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   81   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   82   3.5000   0.0660   0.080000   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   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   86   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   87   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   88   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   89   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    43   320.000  1.410
   41    42   340.000  1.090
   41    45   317.000  1.522
   41    47   320.000  1.410
   45    46   570.000  1.229
   45    49   317.000  1.522
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   337.000  1.463
   52    53   434.000  1.010
   52    54   481.000  1.340
   54    55   385.000  1.083
   54    56   481.000  1.340
   56    57   434.000  1.010
   56    58   415.000  1.386
   58    59   520.000  1.370
   58    68   427.000  1.381
   59    60   410.000  1.394
   59    61   310.000  1.477
   60    63   488.000  1.335
   63    64   367.000  1.080
   63    68   477.000  1.343
   68    69   275.000  1.479
   69    70   340.000  1.090
   69    71   250.000  1.527
   69    81   320.000  1.380
   71    72   340.000  1.090
   71    73   268.000  1.529
   71    75   320.000  1.410
   73    74   340.000  1.090
   73    77   268.000  1.529
   73    79   320.000  1.410
   77    78   340.000  1.090
   77    81   320.000  1.410
   77    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   320.000  1.410
   85    86   230.000  1.630
   86    87   525.000  1.516
   86    88   525.000  1.516
   86    89   525.000  1.516
   79    80   553.000  0.945
   75    76   553.000  0.945
   61    62   570.000  1.229
   61    65   490.000  1.335
   65    66   434.000  1.010
   65    67   434.000  1.010
   47    48   553.000  0.945
   43    44   553.000  0.945
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    43    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    45    63.00000  111.10000
   39    41    47    50.00000  109.50000
   39    43    44    55.00000  108.50000
   41    39    40    37.50000  110.70000
   41    45    46    80.00000  120.40000
   41    45    49    70.00000  116.00000
   41    47    48    55.00000  108.50000
   45    41    42    35.00000  109.50000
   45    49    50    35.00000  109.50000
   45    49    51    35.00000  109.50000
   45    49    52    80.00000  111.64100
   49    45    46    80.00000  120.40000
   49    52    53    35.00000  118.40000
   49    52    54    50.00000  123.20000
   51    49    50    33.00000  107.80000
   52    49    50    35.00000  109.50000
   52    49    51    35.00000  109.50000
   52    54    55    45.00000  116.52200
   52    54    56    70.00000  120.00000
   54    52    53    35.00000  120.00000
   54    56    57    35.00000  120.00000
   54    56    58    65.00000  118.38100
   56    54    55    45.00000  116.52200
   56    58    59    60.00000  129.49600
   56    58    68    75.00000  119.25000
   58    56    57    20.00000  113.50000
   58    59    60    70.00000  111.00000
   58    59    61    60.00000  124.35000
   58    68    63    70.00000  109.80000
   58    68    69    65.00000  127.50000
   59    60    63    70.00000  110.00000
   59    61    62    80.00000  122.33200
   59    61    65    75.00000  113.48100
   60    63    64    35.00000  120.00000
   60    63    68    70.00000  120.00000
   63    68    69    60.00000  127.66100
   68    58    59    70.00000  106.30000
   68    63    64    35.00000  120.00000
   68    69    70    55.00000  103.44000
   68    69    71    75.00000  107.44000
   68    69    81   105.00000  106.22000
   69    71    72    45.00000  108.72000
   69    71    73    75.00000  109.43000
   69    71    75    90.00000  111.58700
   69    81    77    60.00000  109.50000
   71    69    70    45.00000  112.01100
   71    73    74    37.50000  110.70000
   71    73    77    58.35000  112.70000
   71    73    79    50.00000  109.50000
   71    75    76    55.00000  108.50000
   73    71    72    37.50000  110.70000
   73    77    78    37.50000  110.70000
   73    77    81    50.00000  109.50000
   73    77    82    58.35000  112.70000
   73    79    80    55.00000  108.50000
   77    73    74    37.50000  110.70000
   77    82    83    37.50000  110.70000
   77    82    84    37.50000  110.70000
   77    82    85    50.00000  109.50000
   81    69    70    35.00000  109.50000
   81    69    71    90.00000  108.56700
   81    77    78    35.00000  109.50000
   82    77    78    37.50000  110.70000
   82    77    81    50.00000  109.50000
   82    85    86    80.00000  112.68000
   84    82    83    33.00000  107.80000
   85    82    83    35.00000  109.50000
   85    82    84    35.00000  109.50000
   85    86    87   100.00000  107.00000
   85    86    88   100.00000  107.00000
   85    86    89   100.00000  107.00000
   88    86    87   140.00000  114.00000
   89    86    87   140.00000  114.00000
   89    86    88   140.00000  114.00000
   79    73    74    35.00000  109.50000
   79    73    77    50.00000  109.50000
   75    71    72    35.00000  109.50000
   75    71    73    50.00000  109.50000
   61    59    60    65.00000  122.69000
   61    65    66    35.00000  119.80000
   61    65    67    35.00000  119.80000
   65    61    62    80.00000  122.90000
   67    65    66    35.00000  120.00000
   47    41    42    35.00000  109.50000
   47    41    45    90.00000  109.61100
   43    39    40    35.00000  109.50000
   43    39    41    50.00000  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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    45  -0.95700  1.0 1.0
   33    39    41    45  -0.18200 -1.0 2.0
   33    39    41    45   0.29450  1.0 3.0
   33    39    41    47   0.86500  1.0 1.0
   33    39    41    47  -0.17500 -1.0 2.0
   33    39    41    47   0.20800  1.0 3.0
   33    39    43    44  -0.11600  1.0 1.0
   33    39    43    44  -0.09450 -1.0 2.0
   33    39    43    44   0.21250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    43   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    43   0.23400  1.0 3.0
   39    41    45    46   0.30150 -1.0 2.0
   39    41    45    49   0.60050  1.0 1.0
   39    41    45    49   0.05600 -1.0 2.0
   39    41    45    49   0.26150  1.0 3.0
   39    41    47    48  -0.11600  1.0 1.0
   39    41    47    48  -0.09450 -1.0 2.0
   39    41    47    48   0.21250  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    45  -0.11250  1.0 3.0
   40    39    41    47   0.23400  1.0 3.0
   40    39    43    44   0.19450  1.0 3.0
   41    39    43    44  -0.11600  1.0 1.0
   41    39    43    44  -0.09450 -1.0 2.0
   41    39    43    44   0.21250  1.0 3.0
   41    45    49    50   0.00000  1.0 1.0
   41    45    49    51   0.00000  1.0 1.0
   41    45    49    52   0.65300  1.0 1.0
   41    45    49    52  -0.03850 -1.0 2.0
   41    45    49    52   0.33900  1.0 3.0
   42    41    45    46   0.00000  1.0 1.0
   42    41    45    49   0.00000  1.0 1.0
   42    41    47    48   0.19450  1.0 3.0
   45    41    47    48   0.91850  1.0 1.0
   45    41    47    48   0.57950  1.0 3.0
   45    49    52    53   0.00000  1.0 1.0
   45    49    52    54  -0.12500  1.0 1.0
   45    49    52    54  -0.12500 -1.0 2.0
   45    49    52    54   0.25000  1.0 3.0
   46    45    49    50   0.00000  1.0 1.0
   46    45    49    51   0.00000  1.0 1.0
   46    45    49    52   0.30150 -1.0 2.0
   49    52    54    55  -0.09200  1.0 1.0
   49    52    54    55   0.68550 -1.0 2.0
   49    52    54    56   3.96800 -1.0 2.0
   50    49    52    53   0.00000  1.0 1.0
   50    49    52    54   0.08850  1.0 3.0
   51    49    52    53   0.00000  1.0 1.0
   51    49    52    54   0.08850  1.0 3.0
   52    54    56    57   1.50000 -1.0 2.0
   52    54    56    58  -0.27700  1.0 1.0
   52    54    56    58   1.87200 -1.0 2.0
   53    52    54    55   1.00000 -1.0 2.0
   53    52    54    56   1.50000 -1.0 2.0
   54    56    58    59   0.00750  1.0 1.0
   54    56    58    59  -0.23950 -1.0 2.0
   54    56    58    59  -0.39650 -1.0 4.0
   54    56    58    68   0.96250 -1.0 2.0
   55    54    56    57   1.00000 -1.0 2.0
   55    54    56    58   0.00000  1.0 1.0
   56    58    59    60   3.62500 -1.0 2.0
   56    58    59    61   3.62500 -1.0 2.0
   56    58    68    63   3.62500 -1.0 2.0
   56    58    68    69   3.62500 -1.0 2.0
   57    56    58    59   1.75000 -1.0 2.0
   57    56    58    68   1.75000 -1.0 2.0
   58    59   -60    63   2.40000 -1.0 2.0
   58    59    61    62   1.05000 -1.0 2.0
   58    59    61    65   0.75700  1.0 1.0
   58    59    61    65   0.34650 -1.0 2.0
   58    59    61    65   0.33000  1.0 3.0
   58    59    61    65  -0.28100 -1.0 4.0
   58    68    69    70   0.00000  1.0 1.0
   58    68    69    71   1.10250  1.0 1.0
   58    68    69    71   0.01650 -1.0 2.0
   58    68    69    71   0.39100  1.0 3.0
   58    68    69    81   0.10350  1.0 1.0
   58    68    69    81  -0.15350 -1.0 2.0
   59    58   -68    63   1.40000 -1.0 2.0
   59    58    68    69   0.81400  1.0 1.0
   59    58    68    69   1.55550 -1.0 2.0
   59    60    63    64   5.00000 -1.0 2.0
   59    60   -63    68   5.00000 -1.0 2.0
   59    61    65    66   2.56700 -1.0 2.0
   59    61    65    67   2.56700 -1.0 2.0
   60    59    61    62   1.05000 -1.0 2.0
   60    59    61    65   1.61600  1.0 1.0
   60    59    61    65  -0.04750 -1.0 2.0
   60    59    61    65   0.11700  1.0 3.0
   60    63   -68    58   2.32500 -1.0 2.0
   60    63    68    69   3.62500 -1.0 2.0
   63    68    69    70   0.00000  1.0 1.0
   63    68    69    71   1.10250  1.0 1.0
   63    68    69    71   0.01650 -1.0 2.0
   63    68    69    71   0.39100  1.0 3.0
   63    68    69    81   0.10350  1.0 1.0
   63    68    69    81  -0.15350 -1.0 2.0
   64    63    68    58   2.32500 -1.0 2.0
   64    63    68    69   3.62500 -1.0 2.0
   68    58   -59    60   5.37500 -1.0 2.0
   68    58    59    61   3.62500 -1.0 2.0
   68    69    71    72   0.15000  1.0 3.0
   68    69    71    73  -0.64600  1.0 1.0
   68    69    71    73   0.58400 -1.0 2.0
   68    69    71    75   2.76900  1.0 1.0
   68    69    71    75  -0.24350 -1.0 2.0
   68    69    71    75  -0.78250  1.0 3.0
   68    69    81    77  -2.37750  1.0 1.0
   68    69    81    77  -0.08150 -1.0 2.0
   68    69    81    77   0.59000  1.0 3.0
   69    71    73    74   0.15000  1.0 3.0
   69    71   -73    77   3.97050  1.0 1.0
   69    71    73    79   0.86500  1.0 1.0
   69    71    73    79  -0.17500 -1.0 2.0
   69    71    73    79   0.20800  1.0 3.0
   69    71    75    76  -0.11600  1.0 1.0
   69    71    75    76  -0.09450 -1.0 2.0
   69    71    75    76   0.21250  1.0 3.0
   70    69    71    72   0.15000  1.0 3.0
   70    69    71    73   0.15000  1.0 3.0
   70    69    71    75   0.23400  1.0 3.0
   70    69    81    77   0.37050  1.0 3.0
   71    69   -81    77   0.06250  1.0 1.0
   71    69   -81    77  -0.01100 -1.0 2.0
   71    69   -81    77   0.28050  1.0 3.0
   71    73    77    78   0.15000  1.0 3.0
   71    73   -77    81   0.62750  1.0 1.0
   71    73   -77    81  -0.30950 -1.0 2.0
   71    73   -77    81   0.27300  1.0 3.0
   71    73    77    82   0.56750  1.0 1.0
   71    73    77    82  -0.07550 -1.0 2.0
   71    73    77    82   0.20000  1.0 3.0
   71    73    79    80  -0.11600  1.0 1.0
   71    73    79    80  -0.09450 -1.0 2.0
   71    73    79    80   0.21250  1.0 3.0
   72    71    73    74   0.15000  1.0 3.0
   72    71    73    77   0.15000  1.0 3.0
   72    71    73    79   0.23400  1.0 3.0
   72    71    75    76   0.19450  1.0 3.0
   73    71    75    76  -0.11600  1.0 1.0
   73    71    75    76  -0.09450 -1.0 2.0
   73    71    75    76   0.21250  1.0 3.0
   73    77   -81    69   0.06250  1.0 1.0
   73    77   -81    69  -0.01100 -1.0 2.0
   73    77   -81    69   0.28050  1.0 3.0
   73    77    82    83   0.15000  1.0 3.0
   73    77    82    84   0.15000  1.0 3.0
   73    77    82    85   0.62750  1.0 1.0
   73    77    82    85  -0.30950 -1.0 2.0
   73    77    82    85   0.27300  1.0 3.0
   74    73    77    78   0.15000  1.0 3.0
   74    73    77    81   0.23400  1.0 3.0
   74    73    77    82   0.15000  1.0 3.0
   74    73    79    80   0.19450  1.0 3.0
   77    73    79    80  -0.11600  1.0 1.0
   77    73    79    80  -0.09450 -1.0 2.0
   77    73    79    80   0.21250  1.0 3.0
   77    82    85    86  -2.65550  1.0 1.0
   77    82    85    86  -0.22350 -1.0 2.0
   77    82    85    86   0.24150  1.0 3.0
   78    77    81    69   0.37050  1.0 3.0
   78    77    82    83   0.15000  1.0 3.0
   78    77    82    84   0.15000  1.0 3.0
   78    77    82    85   0.23400  1.0 3.0
   81    69    71    72   0.23400  1.0 3.0
   81    69   -71    73   0.62750  1.0 1.0
   81    69   -71    73  -0.30950 -1.0 2.0
   81    69   -71    73   0.27300  1.0 3.0
   81    69    71    75   3.69350  1.0 1.0
   81    69    71    75  -1.82950 -1.0 2.0
   81    77    82    83   0.23400  1.0 3.0
   81    77    82    84   0.23400  1.0 3.0
   81    77    82    85   1.11900  1.0 1.0
   81    77    82    85  -1.16350 -1.0 2.0
   81    77    82    85  -0.34150  1.0 3.0
   82    77    81    69   0.06250  1.0 1.0
   82    77    81    69  -0.01100 -1.0 2.0
   82    77    81    69   0.28050  1.0 3.0
   82    85    86    87   0.00000  1.0 1.0
   82    85    86    88   0.00000  1.0 1.0
   82    85    86    89   0.00000  1.0 1.0
   83    82    85    86   0.03000  1.0 3.0
   84    82    85    86   0.03000  1.0 3.0
   79    73    77    78   0.23400  1.0 3.0
   79    73    77    81   3.69350  1.0 1.0
   79    73    77    81  -1.82950 -1.0 2.0
   79    73    77    82   0.86500  1.0 1.0
   79    73    77    82  -0.17500 -1.0 2.0
   79    73    77    82   0.20800  1.0 3.0
   75    71    73    74   0.23400  1.0 3.0
   75    71    73    77   0.86500  1.0 1.0
   75    71    73    77  -0.17500 -1.0 2.0
   75    71    73    77   0.20800  1.0 3.0
   75    71    73    79   3.75450  1.0 1.0
   61    59    60    63   3.62500 -1.0 2.0
   62    61    65    66   2.45000 -1.0 2.0
   62    61    65    67   2.45000 -1.0 2.0
   47    41    45    46   0.30150 -1.0 2.0
   47    41    45    49   0.55300  1.0 1.0
   47    41    45    49   1.25850 -1.0 2.0
   47    41    45    49  -0.23600  1.0 3.0
   43    39    41    42   0.23400  1.0 3.0
   43    39    41    45  -0.09450  1.0 1.0
   43    39    41    45  -1.12950 -1.0 2.0
   43    39    41    45   0.54000  1.0 3.0
   43    39    41    47   3.75450  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
   37    30    36    38  10.50000 -1.0 2.0
   41    49    45    46  10.50000 -1.0 2.0
   49    53    52    54   1.00000 -1.0 2.0
   56    55    54    52  10.50000 -1.0 2.0
   57    54    56    58   1.00000 -1.0 2.0
   59    68    58    56   4.00000 -1.0 2.0
   61    60    59    58   4.00000 -1.0 2.0
   68    64    63    60   1.10000 -1.0 2.0
   63    69    68    58   4.00000 -1.0 2.0
   59    65    61    62  10.50000 -1.0 2.0
   67    61    65    66   1.00000 -1.0 2.0
END
