* LIGAND DATABASE FILE (OPLS2005)
*
001      89    92    161    247     453
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02112    34.85716   140.01193
    3     1 S   H    _H1_     3     1.02137    82.33157   -80.70701
    4     1 S   H    _H2_     4     1.02080    97.11541    27.28732
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08547   109.95733   179.17291
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C17    36     1.85461    97.26339  -178.13943
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C12    37     1.55855   108.81207   179.96044
   38    37 S   HC   _H38    38     1.11935   109.85603  -156.24917
   39    37 S   HC   _H39    39     1.12084   110.07007   -42.43344
   40    33 S   CT   _C20    77     1.54221   104.71877    63.42947
   41    40 S   HC   _H49    78     1.08781   109.26476   -63.67646
   42    40 S   HC   _H50    79     1.08730   109.25525   177.06588
   43    37 S   S    _S36    40     1.84305   119.77414    80.93279
   44    40 S   S    _S37    80     1.80627   109.99077    56.71627
   45    43 S   C4T  _C15    41     1.80425    98.59613    -5.32292
   46    45 S   HC   _H42    42     1.11692   114.54876   -76.08290
   47    44 S   CRA  _C4_    81     1.76801   100.15325  -179.97202
   48    45 S   C4T  _C16    43     1.54267   116.28973   144.25517
   49    45 S   N4   _N22    46     1.45343   108.87213    48.81790
   50    47 S   N5B  _N18    82     1.31319   127.59527    -0.07662
   51    48 S   C4   _C6_    44     1.55362    84.73519  -121.76531
   52    51 S   O    _O25    45     1.20779   136.96239  -169.74441
   53    33 S   CT1  _C14    47     1.54925   109.02021   -55.63976
   54    53 S   HC   _H41    48     1.02722   113.12804    45.50065
   55    48 S   N    _N24    53     1.47001   112.68655   -10.23481
   56    55 S   H    _H53    54     1.00318   119.00886    26.80333
   57    48 S   OS   _O34    72     1.44059   118.80666   125.74131
   58    50 S   N5B  _N19    83     1.37664   105.62306  -179.89913
   59    53 S   C    _C11    49     1.50254   111.60171   167.47708
   60    59 S   OC3  _O29    50     1.22268   125.01759    85.05992
   61    55 S   C    _C10    55     1.36725   122.08665  -153.41628
   62    61 S   O    _O28    56     1.22539   127.43659    -0.07913
   63    57 S   CT   _C19    73     1.41401   110.94283   -63.60148
   64    63 S   HC   _H46    74     1.09302   109.48811  -179.98022
   65    63 S   HC   _H47    75     1.09241   109.47997    59.23202
   66    63 S   HC   _H48    76     1.09186   108.95984   -60.41827
   67    58 S   N5A  _N20    84     1.32754   111.04737    -0.01978
   68    59 S   OH   _O33    51     1.35475   110.71851   -94.75080
   69    68 S   HO   _H55    52     0.98107   111.98452   179.85735
   70    61 S   C4T  _C13    57     1.49309   113.06951   179.86438
   71    70 S   HC   _H40    58     1.09625   111.93397     0.12195
   72    47 S   NA   _N21    85     1.35769   123.86413  -179.95577
   73    70 S   S    _S34    59     1.82595   110.97158   129.50438
   74    70 S   S    _S35    61     1.82533   110.97931  -129.35986
   75    72 S   CT   _C18    86     1.44150   129.86212    -0.16902
   76    75 S   HC   _H43    87     1.09388   107.94779    90.07333
   77    75 S   HC   _H44    88     1.09351   109.48394  -149.70177
   78    75 S   HC   _H45    89     1.09351   109.32767   -30.18254
   79    73 S   C4M  _C5_    60     1.73042    74.98136   144.41050
   80    79 S   CM   _C7_    62     1.33426   130.41545   150.23070
   81    80 S   C    _C8_    63     1.50137   116.62021    -4.50037
   82    81 S   O    _O26    64     1.22743   121.86829   -28.39319
   83    80 S   C    _C9_    68     1.48892   116.50487   175.67904
   84    83 S   O    _O27    69     1.22193   124.76622   -30.01268
   85    81 S   N    _N23    65     1.37468   115.15138   150.03223
   86    85 S   H    _H51    66     1.01481   120.71424     0.22029
   87    85 S   H    _H52    67     1.01413   122.92667   179.76930
   88    83 S   OH   _O30    70     1.35228   111.62595   148.17246
   89    88 S   HO   _H54    71     0.98150   112.03353  -178.19452
  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  13   5   4   3
  17   2   1   1  14   5   4  11   4   3   8   7  13   6   8  14
   9   4   9   3   5   3   9   4   5   3   3   2   6   4   3   2
   1   1   5   1   1   5   3   4   5   4   3   2   1   1   7   9
   7   4   4   2   2   1   1   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    53    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    49    53    54    59    40    41    42    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    45    51    49    53    54    59    60    68    40    41    42    44    47  
   35    36  
   36  
    0  
   38    39    43    45    46    48    49    53    54    59    40    41    42    44  
   39    43    45    53    40  
   43    45    53    40  
   41    42    44    47    50    72    43    49    53    54    59  
   42    44    47    53  
   44    47    53  
   45    46    48    51    49    53    55    57  
   47    50    58    67    72    75    53  
   46    48    51    52    49    53    54    59    55    56    61    57    63  
   48    51    49    53    55    57  
   50    58    67    72    75    76    77    78  
   51    52    49    53    55    56    61    62    70    57    63    64    65    66  
   53    54    59    60    68    55    57    51    52  
   58    67    72    75  
   52    53    54    59    55    56    61    57    63  
   53    55    57  
   54    59    60    68    69  
   59    60    68  
   56    61    62    70    71    73    74    57    63  
   61    62    70    57  
   63    64    65    66    61  
   67    72    75  
   60    68    69  
   68    69  
   62    70    71    73    79    74  
   70    71    73    74  
   64    65    66  
   65    66  
   66  
    0  
   72    75    76    77    78  
   69  
    0  
   71    73    79    74    80  
   73    79    74  
   75    76    77    78  
   79    74    80    81    83  
   80    81    83    79  
   76    77    78  
   77    78  
   78  
    0  
   80    81    82    85    83    84    88  
   81    82    85    86    87    83    84    88    89  
   82    85    86    87    83    84    88  
   85    86    87    83  
   84    88    89    85  
   88    89  
   86    87  
   87  
    0  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   44   3.6000   0.3550  -0.320000   2.0300   1.8000   0.025682759  -1.666211680
   45   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5500   0.0700   0.552100   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660   0.366500   1.9750   1.7500   0.005000000  -0.741685710
   49   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   50   3.2800   0.1700  -0.392400   1.8000   1.6000   0.001000000  -0.511443539
   51   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   53   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.2500   0.1700  -0.466500   2.1120   1.8750   0.051222218  -2.220205820
   56   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   57   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.2800   0.1700  -0.040200   1.8650   1.6500   0.001000000  -0.511443539
   59   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   61   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   63   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.2800   0.1700  -0.248300   1.8650   1.6500   0.001000000  -0.511443539
   68   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660   0.253000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.2500   0.1700   0.158800   1.8000   1.6000   0.001000000  -0.511443539
   73   3.6000   0.3550  -0.164000   2.0300   1.8000   0.025682759  -1.666211680
   74   3.6000   0.3550  -0.164000   2.0300   1.8000   0.025682759  -1.666211680
   75   3.5000   0.0660  -0.057500   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0760   0.015000   2.0020   1.7750   0.023028004  -0.852763146
   80   3.5500   0.0760  -0.056700   2.0020   1.7750   0.023028004  -0.852763146
   81   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   83   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   85   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   86   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   87   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   88   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   89   0.5000   0.0300   0.450000   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   268.000  1.529
   33    53   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   222.000  1.810
   43    45   200.000  1.824
   45    46   340.000  1.090
   45    48   268.000  1.529
   45    49   305.000  1.456
   48    51   250.000  1.540
   48    55   337.000  1.449
   48    57   320.000  1.410
   51    52   930.000  1.212
   51    49   440.000  1.369
   49    53   337.000  1.449
   53    54   340.000  1.090
   53    59   317.000  1.522
   59    60   570.000  1.229
   59    68   450.000  1.364
   68    69   553.000  0.945
   55    56   434.000  1.010
   55    61   490.000  1.335
   61    62   570.000  1.229
   61    70   317.000  1.522
   70    71   340.000  1.090
   70    73   200.000  1.824
   70    74   200.000  1.824
   73    79   240.000  1.763
   79    74   240.000  1.763
   79    80   545.000  1.340
   80    81   410.000  1.444
   80    83   410.000  1.444
   81    82   570.000  1.229
   81    85   490.000  1.335
   85    86   434.000  1.010
   85    87   434.000  1.010
   83    84   570.000  1.229
   83    88   450.000  1.364
   88    89   553.000  0.945
   57    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   222.000  1.810
   44    47   245.000  1.755
   47    50   488.000  1.335
   47    72   477.000  1.343
   50    58   290.000  1.379
   58    67   420.000  1.291
   67    72   400.000  1.349
   72    75   320.000  1.443
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   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  111.63000
   29    33    53    75.00000  108.68000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    75.00000  111.63000
   33    53    49    80.00000  109.70000
   33    53    54    37.50000  110.70000
   33    53    59    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    75.00000  111.63000
   37    43    45    85.00000   99.86700
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    45.00000  109.41400
   43    45    48    65.00000  119.05700
   43    45    49    80.00000  108.62000
   45    48    51   100.00000   86.36000
   45    48    55    80.00000  110.05700
   45    48    57    50.00000  109.50000
   45    49    51   100.00000   93.00000
   45    49    53    50.00000  132.70000
   48    45    46    37.50000  110.70000
   48    51    52    60.00000  136.58000
   48    51    49    95.00000   92.72400
   48    55    56    38.00000  118.40000
   48    55    61    50.00000  121.90000
   48    57    63    60.00000  109.50000
   51    49    53    50.00000  132.10000
   49    45    46    50.00000  112.01000
   49    45    48   105.00000   87.49700
   49    51    52    75.00000  131.60000
   49    53    54    35.00000  109.50000
   49    53    59    63.00000  110.10000
   53    33    37    58.35000  112.70000
   53    59    60    75.00000  119.65400
   53    59    68    80.00000  116.87500
   59    53    54    35.00000  109.50000
   59    68    69    35.00000  113.00000
   68    59    60    80.00000  121.00000
   55    48    51    75.00000  110.24000
   55    61    62    80.00000  122.90000
   55    61    70    70.00000  116.60000
   61    55    56    35.00000  119.80000
   61    70    71    35.00000  109.50000
   61    70    73    70.00000  112.33000
   61    70    74    70.00000  112.33000
   70    61    62    80.00000  120.40000
   70    73    79    60.00000   90.00000
   70    74    79    60.00000   90.00000
   73    70    71    45.00000  109.41400
   73    79    74    95.00000   96.00000
   73    79    80    65.00000  122.11800
   79    80    81    70.00000  118.70000
   79    80    83    70.00000  118.70000
   74    70    71    45.00000  109.41400
   74    70    73    65.00000   91.00000
   80    79    74    65.00000  122.11800
   80    81    82    80.00000  125.30000
   80    81    85    80.00000  111.56200
   80    83    84    80.00000  125.30000
   80    83    88    90.00000  111.55000
   81    85    86    35.00000  119.80000
   81    85    87    35.00000  119.80000
   85    81    82    80.00000  122.90000
   87    85    86    35.00000  120.00000
   83    80    81    80.00000  109.98000
   83    88    89    35.00000  113.00000
   88    83    84   100.00000  123.32000
   57    48    51    90.00000  108.55600
   57    48    55    95.00000  111.00000
   57    63    64    35.00000  109.50000
   57    63    65    35.00000  109.50000
   57    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    53    58.35000  112.70000
   40    44    47    85.00000   97.05500
   42    40    41    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    35.00000  109.50000
   44    47    50    70.00000  126.12900
   44    47    72    70.00000  123.45500
   47    50    58   100.00000  108.10500
   47    72    67    95.00000  110.06400
   47    72    75    60.00000  127.66100
   50    58    67   100.00000  111.97400
   58    67    72   110.00000  106.81600
   67    72    75    75.00000  118.68000
   72    47    50    70.00000  120.00000
   72    75    76    50.00000  108.61900
   72    75    77    50.00000  108.61900
   72    75    78    50.00000  108.61900
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    53    49   0.71400  1.0 1.0
   29    33    53    49   0.04300 -1.0 2.0
   29    33    53    49   0.01450  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    59  -2.17200  1.0 1.0
   29    33    53    59  -0.85700 -1.0 2.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    37    43    45  -0.25000 -1.0 2.0
   33    37    43    45  -0.01800  1.0 3.0
   33    53    59    60   0.27300 -1.0 2.0
   33    53    59    68   0.50000  1.0 1.0
   33    53    59    68   0.27300 -1.0 2.0
   33    53    59    68   0.22500  1.0 3.0
   33    40    44    47  -0.35400  1.0 1.0
   33    40    44    47  -0.24450 -1.0 2.0
   33    40    44    47   0.44000  1.0 3.0
   37    33    53    49   0.42250  1.0 1.0
   37    33    53    49  -0.48100 -1.0 2.0
   37    33    53    49   0.35650  1.0 3.0
   37    33    53    54   0.15000  1.0 3.0
   37    33    53    59  -0.84850  1.0 1.0
   37    33    53    59  -0.22800 -1.0 2.0
   37    33    53    59   0.29250  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    44   0.44750  1.0 1.0
   37    33    40    44  -0.17800 -1.0 2.0
   37    33    40    44   0.20200  1.0 3.0
   37    43    45    46   0.00000  1.0 1.0
   37    43    45    48   0.25150  1.0 1.0
   37    43    45    48  -1.17200 -1.0 2.0
   37    43    45    48   0.53050  1.0 3.0
   37    43   -45    49   0.01700  1.0 1.0
   37    43   -45    49  -0.23550 -1.0 2.0
   37    43   -45    49   0.21350  1.0 3.0
   38    37    43    45   0.32350  1.0 3.0
   39    37    43    45   0.32350  1.0 3.0
   43    45    48    51   0.00000  1.0 1.0
   43    45    48    55   0.00000  1.0 1.0
   43    45    48    57   0.00000  1.0 1.0
   43    45   -49    51   0.00000  1.0 1.0
   43    45    49    53   0.00000  1.0 1.0
   45    48    51    52  -0.11250  1.0 1.0
   45    48    51    52   0.11400 -1.0 2.0
   45    48    51    52  -0.28950  1.0 3.0
   45    48   -51    49   3.00000 -1.0 2.0
   45    48    55    56   0.00000  1.0 1.0
   45    48    55    61  -0.43950  1.0 1.0
   45    48    55    61  -0.08100 -1.0 2.0
   45    48    55    61   0.03350  1.0 3.0
   45    48    57    63   0.06250  1.0 1.0
   45    48    57    63  -0.01100 -1.0 2.0
   45    48    57    63   0.28050  1.0 3.0
   45    49   -53    33   0.00000  1.0 1.0
   45    49    53    54   0.00000  1.0 1.0
   45    49    53    59   0.00000  1.0 1.0
   46    45    48    51   0.15000  1.0 3.0
   46    45    48    55   0.15000  1.0 3.0
   46    45    48    57   0.15000  1.0 3.0
   46    45   -49    51   0.00000  1.0 1.0
   46    45    49    53   0.00000  1.0 1.0
   48    45   -49    51   0.00000  1.0 1.0
   48    45    49    53   0.00000  1.0 1.0
   48    51   -49    45   3.00000 -1.0 2.0
   48    51   -49    53   3.00000 -1.0 2.0
   48    55    61    62   3.04450 -1.0 2.0
   48    55    61    70   1.49850  1.0 1.0
   48    55    61    70   1.53950 -1.0 2.0
   48    57    63    64   0.37050  1.0 3.0
   48    57    63    65   0.37050  1.0 3.0
   48    57    63    66   0.37050  1.0 3.0
   51    48    55    56   0.00000  1.0 1.0
   51    48    55    61  -0.42300  1.0 1.0
   51    48    55    61  -0.07000 -1.0 2.0
   51    48    55    61   0.04150  1.0 3.0
   51    48    57    63  -1.11000  1.0 1.0
   51    48    57    63   0.50250 -1.0 2.0
   51    48    57    63   0.47450  1.0 3.0
   51    49    53    33   0.00000  1.0 1.0
   51    49    53    54   0.00000  1.0 1.0
   51    49    53    59   0.00000  1.0 1.0
   52    51   -49    45   3.00000 -1.0 2.0
   52    51    49    53   3.00000 -1.0 2.0
   49    45   -48    51   3.00000 -1.0 2.0
   49    45    48    55   2.20050  1.0 1.0
   49    45    48    55   0.63450 -1.0 2.0
   49    45    48    55  -0.91300  1.0 3.0
   49    45    48    57   1.12100  1.0 1.0
   49    45    48    57  -0.16500 -1.0 2.0
   49    53    59    60   0.00000  1.0 1.0
   49    53    59    68   0.40000  1.0 3.0
   53    33    37    38   0.15000  1.0 3.0
   53    33    37    39   0.15000  1.0 3.0
   53    33   -37    43   0.44750  1.0 1.0
   53    33   -37    43  -0.17800 -1.0 2.0
   53    33   -37    43   0.20200  1.0 3.0
   53    33    40    41   0.15000  1.0 3.0
   53    33    40    42   0.15000  1.0 3.0
   53    33    40    44   0.44750  1.0 1.0
   53    33    40    44  -0.17800 -1.0 2.0
   53    33    40    44   0.20200  1.0 3.0
   53    59    68    69   1.50000  1.0 1.0
   53    59    68    69   2.45000 -1.0 2.0
   54    53    59    60   0.00000  1.0 1.0
   54    53    59    68   0.00000  1.0 1.0
   60    59    68    69   2.45000 -1.0 2.0
   55    48    51    52   0.30150 -1.0 2.0
   55    48   -51    49   0.00000  1.0 1.0
   55    48    57    63  -2.37750  1.0 1.0
   55    48    57    63  -0.08150 -1.0 2.0
   55    48    57    63   0.59000  1.0 3.0
   55    61    70    71   0.00000  1.0 1.0
   55    61    70    73   0.00000  1.0 1.0
   55    61    70    74   0.00000  1.0 1.0
   56    55    61    62   2.45000 -1.0 2.0
   56    55    61    70   2.45000 -1.0 2.0
   61    70    73    79   0.00000  1.0 1.0
   61    70   -74    79   0.00000  1.0 1.0
   62    61    70    71   0.00000  1.0 1.0
   62    61    70    73   0.30150 -1.0 2.0
   62    61    70    74   0.30150 -1.0 2.0
   70    73   -79    74   0.00000  1.0 1.0
   70    73    79    80   1.00000 -1.0 2.0
   71    70    73    79   0.24000  1.0 3.0
   71    70   -74    79   0.24000  1.0 3.0
   73    70   -74    79   0.00000  1.0 1.0
   73    79   -74    70   0.00000  1.0 1.0
   73    79    80    81   7.00000 -1.0 2.0
   73    79    80    83   7.00000 -1.0 2.0
   79    80    81    82   1.00000 -1.0 2.0
   79    80    81    85   0.49500  1.0 1.0
   79    80    81    85   1.31600 -1.0 2.0
   79    80    81    85  -0.02300  1.0 3.0
   79    80    83    84   1.00000 -1.0 2.0
   79    80    83    88  -0.01000  1.0 1.0
   79    80    83    88   1.29850 -1.0 2.0
   79    80    83    88  -0.09550  1.0 3.0
   74    70   -73    79   0.00000  1.0 1.0
   74    79    80    81   7.00000 -1.0 2.0
   74    79    80    83   7.00000 -1.0 2.0
   80    79   -74    70   1.00000 -1.0 2.0
   80    81    85    86   2.56700 -1.0 2.0
   80    81    85    87   2.56700 -1.0 2.0
   80    83    88    89   1.22000  1.0 1.0
   80    83    88    89   0.17300 -1.0 2.0
   81    80    83    84   2.50000 -1.0 2.0
   81    80    83    88   1.00000 -1.0 2.0
   82    81    85    86   2.45000 -1.0 2.0
   82    81    85    87   2.45000 -1.0 2.0
   83    80    81    82   2.50000 -1.0 2.0
   83    80    81    85   1.50000 -1.0 2.0
   84    83    88    89   0.92200  1.0 1.0
   84    83    88    89   3.74100 -1.0 2.0
   57    48    51    52   0.30150 -1.0 2.0
   57    48   -51    49   0.00000  1.0 1.0
   57    48    55    56   0.00000  1.0 1.0
   57    48    55    61  -2.75650  1.0 1.0
   57    48    55    61  -1.18150 -1.0 2.0
   57    48    55    61   0.81900  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43   0.44750  1.0 1.0
   40    33    37    43  -0.17800 -1.0 2.0
   40    33    37    43   0.20200  1.0 3.0
   40    33    53    49   0.42250  1.0 1.0
   40    33    53    49  -0.48100 -1.0 2.0
   40    33    53    49   0.35650  1.0 3.0
   40    33    53    54   0.15000  1.0 3.0
   40    33    53    59  -0.84850  1.0 1.0
   40    33    53    59  -0.22800 -1.0 2.0
   40    33    53    59   0.29250  1.0 3.0
   40    44    47    50   0.63150 -1.0 2.0
   40    44    47    72   0.63150 -1.0 2.0
   41    40    44    47   0.24000  1.0 3.0
   42    40    44    47   0.24000  1.0 3.0
   44    47    50    58   3.62500 -1.0 2.0
   44    47    72    67   3.62500 -1.0 2.0
   44    47    72    75   3.62500 -1.0 2.0
   47    50   -58    67   3.62500 -1.0 2.0
   47    72    75    76   0.00000  1.0 1.0
   47    72    75    77   0.00000  1.0 1.0
   47    72    75    78   0.00000  1.0 1.0
   50    47   -72    67   3.62500 -1.0 2.0
   50    47    72    75   3.62500 -1.0 2.0
   50    58   -67    72   3.62500 -1.0 2.0
   58    67   -72    47   3.62500 -1.0 2.0
   58    67    72    75   3.62500 -1.0 2.0
   67    72    75    76   0.00000  1.0 1.0
   67    72    75    77   0.00000  1.0 1.0
   67    72    75    78   0.00000  1.0 1.0
   72    47   -50    58   3.62500 -1.0 2.0
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
   48    49    51    52  10.50000 -1.0 2.0
   53    51    49    45   1.00000 -1.0 2.0
   53    68    59    60  10.50000 -1.0 2.0
   56    61    55    48   1.00000 -1.0 2.0
   55    70    61    62  10.50000 -1.0 2.0
   73    74    79    80   1.10000 -1.0 2.0
   81    83    80    79   1.10000 -1.0 2.0
   80    85    81    82  10.50000 -1.0 2.0
   87    81    85    86   1.00000 -1.0 2.0
   80    88    83    84  10.50000 -1.0 2.0
   50    72    47    44   4.00000 -1.0 2.0
   67    75    72    47   4.00000 -1.0 2.0
END
