* LIGAND DATABASE FILE (OPLS2005)
*
001      90    92    158    252     465
    1     0 S   NP   _N1_     1    29.58522    94.47609   -25.49022
    2     1 S   H    _HN1     2     1.02806    22.63377  -160.00934
    3     1 S   H    _H1_     3     1.02740   111.88293   -75.23655
    4     1 S   H    _H2_     4     1.03044    85.16037    32.13393
    5     1 S   CT   _CA1     5     1.50162   125.22564   143.68086
    6     5 S   HC   _HA1     6     1.09569   105.31473    81.72408
    7     5 S   CO3  _C1_     7     1.53759   112.43594   -38.53729
    8     7 S   O2Z  _O11     8     1.26338   115.08878   -43.97803
    9     7 S   O2Z  _O12     9     1.26254   114.87714   135.20440
   10     5 S   CT   _CB1    10     1.52933   107.07133  -160.44173
   11    10 S   HC   HB11    11     1.09822   109.15588   -51.58586
   12    10 S   HC   HB12    12     1.09825   110.22995    64.82925
   13    10 S   CT   _CG1    13     1.52911   113.32334  -173.08522
   14    13 S   HC   HG11    14     1.09554   110.25752   -60.51387
   15    13 S   HC   HG12    15     1.09579   110.51522    58.94338
   16    13 S   C    _CD1    16     1.51752   111.10194   178.65943
   17    16 S   O    _OE1    17     1.22805   122.82833   -23.84621
   18    16 S   N    _N2_    18     1.38502   112.24125   157.07279
   19    18 S   H    _HN2    19     1.01580   119.26519     2.91819
   20    18 S   CT1  _CA2    20     1.46011   123.12210  -177.13010
   21    20 S   HC   _HA2    21     1.09626   109.37065    -5.78296
   22    20 S   C    _C2_    22     1.53371   108.81729  -121.15271
   23    22 S   O    _O2_    23     1.23030   122.15518  -145.63489
   24    20 S   CT   _CB2    32     1.53407   111.59116   116.20863
   25    24 S   HC   HB21    33     1.09654   109.70064    63.02636
   26    24 S   HC   HB22    34     1.09582   110.68047  -179.72876
   27    22 S   N    _N3_    24     1.38487   113.47027    41.95634
   28    27 S   H    _HN3    25     1.01502   119.00296    -0.63735
   29    24 S   S    _SG2    35     1.83022   115.05151   -57.05111
   30    27 S   CT   _CA3    26     1.45431   123.21637   174.53840
   31    30 S   HC   HA31    27     1.09540   108.93052    29.85603
   32    30 S   HC   HA32    28     1.09484   107.18445   146.86868
   33    29 S   CT   _C26    36     1.81892    99.88580   -61.92253
   34    33 S   HC   _H21    37     1.09061   107.15060    73.76546
   35    33 S   HC   _H22    38     1.09386   109.56121   -46.46113
   36    30 S   CO3  _C3_    29     1.52980   113.41472   -93.34686
   37    36 S   O2Z  _O31    30     1.26384   115.59449   -39.00223
   38    36 S   O2Z  _O32    31     1.26383   114.84542   141.91883
   39    33 S   C    _C25    39     1.52485   111.34212  -166.27241
   40    39 S   O    _O39    40     1.23419   120.32599    24.70260
   41    39 S   N    _N5_    41     1.41639   115.81154  -157.56628
   42    41 S   CA   _C6_    42     1.45349   120.36869   166.19455
   43    41 S   CT   _C16    70     1.48304   121.66983   -18.30296
   44    43 S   HC   _H13    71     1.09275   111.40495    -1.91989
   45    43 S   HC   _H14    72     1.09687   107.27838  -115.14840
   46    42 S   CA   _C5_    43     1.40591   121.11728   -27.07480
   47    46 S   HA   _H5_    44     1.08662   121.58071    -0.95306
   48    43 S   CA   _C17    73     1.51458   115.30670   120.69083
   49    46 S   CA   _C4_    45     1.40113   121.69082  -178.41823
   50    49 S   HA   _H4_    46     1.08666   118.30413  -178.82730
   51    48 S   CA   _C18    74     1.40310   118.68283   150.06491
   52    51 S   HA   _H15    75     1.08783   120.28919    -0.77733
   53    49 S   CA   _C9_    47     1.39434   120.12865     0.66705
   54    51 S   CA   _C19    76     1.39684   120.90244   179.49063
   55    54 S   HA   _H16    77     1.08740   119.32354   179.61386
   56    53 S   CA   _C8_    48     1.39500   119.21786    -0.63980
   57    56 S   HA   _H7_    49     1.08750   120.84067  -179.71196
   58    53 S   C    _C10    52     1.48439   122.10088  -179.45643
   59    58 S   O    _O33    53     1.22770   119.28855   149.32285
   60    54 S   CA   _C20    78     1.39588   120.60255    -0.13417
   61    42 S   CA   _C7_    50     1.40555   121.72331   155.45359
   62    61 S   HA   _H6_    51     1.08552   121.98292    -2.82612
   63    58 S   N    _N4_    54     1.38281   115.71502   -31.71249
   64    63 S   H    _H8_    55     1.01518   120.73737    -3.70856
   65    60 S   CA   _C21    79     1.39901   118.56547    -0.59938
   66    63 S   CT1  _C11    56     1.46378   123.31607   178.24342
   67    66 S   HC   _H3_    57     1.09804   106.61022    39.75135
   68    48 S   CA   _C22    80     1.40238   122.63783   -32.20171
   69    68 S   HA   _H17    81     1.08713   120.12977     0.56545
   70    65 S   C    _C23    82     1.47659   117.91468   179.06059
   71    70 S   O    _O38    83     1.22527   121.97125  -178.86151
   72    66 S   CO3  _C15    58     1.54373   113.05083   156.69654
   73    72 S   O2Z  _O37    59     1.26467   115.06509  -170.50852
   74    72 S   O2Z  _O36    60     1.26482   115.71579     8.67942
   75    66 S   CTJ  _C12    61     1.53747   111.46996   -77.89926
   76    75 S   HC   _H9_    62     1.09750   109.53244   176.32337
   77    75 S   HC   _H10    63     1.09769   109.04135    60.61422
   78    70 S   N    _N6_    84     1.38339   114.50548     0.65968
   79    78 S   H    _H18    85     1.01339   117.43644  -179.58504
   80    75 S   CTI  _C13    64     1.53058   113.95093   -61.19639
   81    80 S   HC   _H11    65     1.09649   109.82979   -60.14392
   82    80 S   HC   _H12    66     1.09668   109.85342    57.72441
   83    78 S   CDX  _C24    86     1.38422   124.41528    -0.19383
   84    80 S   CO3  _C14    67     1.53302   115.18274   178.71641
   85    84 S   O2Z  _O35    68     1.26573   114.03660  -179.06581
   86    84 S   O2Z  _O34    69     1.26140   116.80053     0.85980
   87    60 S   NI   _N7_    87     1.40573   118.74730   179.37693
   88    83 S   NE   _N8_    88     1.36563   116.00322   179.96574
   89    88 S   H    _H19    89     1.01391   120.34912   179.89913
   90    88 S   H    _H20    90     1.01268   122.18436     0.29674
  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   6   5   4   3
   7   4   3   2   1   1   9   3  13  13  11   4   3   8   4   9
   8   3   8   4   9   7   3   6   3   8   3   9   1   1  10   4
   8  11   7   5   1   6   3   6   2   1   8   5   4   6   3   5
   4   3   4   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    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  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43  
   35    39    40    41  
   39    40    41  
   37    38  
   38  
    0  
   40    41    42    46    61    43    44    45    48  
   41    42    43  
   42    46    47    49    56    61    62    43    44    45    48    51    68  
   46    47    49    50    53    56    57    61    62    43    44    45    48  
   44    45    48    51    52    54    65    68    69    46    61  
   45    48    51    68  
   48    51    68  
   47    49    50    53    56    61    62    58  
   49    50    53    61  
   51    52    54    55    60    65    68    69    70  
   50    53    56    57    61    58    59    63  
   53    56    58  
   52    54    55    60    65    68    69    87  
   54    55    60    68  
   56    57    61    62    58    59    63    64    66  
   55    60    65    68    70    83    87  
   60    65    87  
   57    61    62    58    59    63  
   61    62    58  
   59    63    64    66    67    72    75    61  
   63    64    66  
   65    68    69    70    71    78    83    87    88  
   62  
    0  
   64    66    67    72    73    74    75    76    77    80  
   66    67    72    75  
   68    69    70    71    78    79    83    87  
   67    72    73    74    75    76    77    80    81    82    84  
   72    73    74    75    76    77    80  
   69    70    71    78    87  
   70  
   71    78    79    83    87    88  
   78    79    83  
   73    74    75    76    77    80  
   74    75  
   75  
   76    77    80    81    82    84    85    86  
   77    80    81    82    84  
   80    81    82    84  
   79    83    87    88    89    90  
   83    87    88  
   81    82    84    85    86  
   82    84    85    86  
   84    85    86  
   87    88    89    90  
   85    86  
   86  
    0  
   88    89    90  
   89    90  
   90  
    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   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   41   3.2500   0.1700  -0.031700   1.8100   1.6000   0.054801302  -1.445846770
   42   3.5500   0.0700  -0.038300   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5000   0.0660   0.065000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.7500   0.1050   0.615000   1.9250   1.7000   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   60   3.5500   0.0700   0.030800   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   64   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.7500   0.1050   0.615000   1.9250   1.7000   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   72   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   75   3.5000   0.0660  -0.120000   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   3.2500   0.1700  -0.422500   2.1120   1.8750   0.051222218  -2.220205820
   79   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   80   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   3.7500   0.1050   0.679600   2.1120   1.8750   0.001000000  -0.126889456
   84   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   87   3.2800   0.1700  -0.522900   1.9250   1.7000   0.054801302  -2.445846770
   88   3.2500   0.1700  -0.785000   2.1120   1.8750   0.051222218  -2.220205820
   89   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   90   0.5000   0.0300   0.360000   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    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   317.000  1.522
   39    40   570.000  1.229
   39    41   490.000  1.335
   41    42   360.000  1.404
   41    43   337.000  1.449
   42    46   469.000  1.400
   42    61   469.000  1.400
   46    47   367.000  1.080
   46    49   469.000  1.400
   49    50   367.000  1.080
   49    53   469.000  1.400
   53    56   469.000  1.400
   53    58   400.000  1.490
   56    57   367.000  1.080
   56    61   469.000  1.400
   61    62   367.000  1.080
   58    59   570.000  1.229
   58    63   490.000  1.335
   63    64   434.000  1.010
   63    66   337.000  1.449
   66    67   340.000  1.090
   66    72   317.000  1.522
   66    75   268.000  1.529
   72    73   656.000  1.250
   72    74   656.000  1.250
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    84   317.000  1.522
   84    85   656.000  1.250
   84    86   656.000  1.250
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   317.000  1.510
   48    51   469.000  1.400
   48    68   469.000  1.400
   51    52   367.000  1.080
   51    54   469.000  1.400
   54    55   367.000  1.080
   54    60   469.000  1.400
   60    65   469.000  1.400
   60    87   400.000  1.385
   65    68   469.000  1.400
   65    70   400.000  1.490
   68    69   367.000  1.080
   70    71   570.000  1.229
   70    78   490.000  1.335
   78    79   434.000  1.010
   78    83   400.000  1.380
   83    87   650.000  1.285
   83    88   445.000  1.380
   88    89   434.000  1.010
   88    90   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    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    70.00000  112.33000
   33    39    40    80.00000  120.40000
   33    39    41    70.00000  116.60000
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    41    42    65.00000  121.96500
   39    41    43    50.00000  121.90000
   41    39    40    80.00000  122.90000
   41    42    46    70.00000  119.01900
   41    42    61    70.00000  119.01900
   41    43    44    35.00000  109.50000
   41    43    45    35.00000  109.50000
   41    43    48    75.00000  111.96400
   42    46    47    35.00000  120.00000
   42    46    49    63.00000  120.00000
   42    61    56    63.00000  120.00000
   42    61    62    35.00000  120.00000
   46    49    50    35.00000  120.00000
   46    49    53    63.00000  120.00000
   49    46    47    35.00000  120.00000
   49    53    56    63.00000  120.00000
   49    53    58    85.00000  120.00000
   53    49    50    35.00000  120.00000
   53    56    57    35.00000  120.00000
   53    56    61    63.00000  120.00000
   53    58    59    80.00000  120.40000
   53    58    63    75.00000  113.92100
   56    61    62    35.00000  120.00000
   61    42    46    63.00000  120.00000
   61    56    57    35.00000  120.00000
   58    53    56    85.00000  120.00000
   58    63    64    35.00000  119.80000
   58    63    66    50.00000  121.90000
   63    58    59    80.00000  122.90000
   63    66    67    35.00000  109.50000
   63    66    72    63.00000  110.10000
   63    66    75    80.00000  109.70000
   66    63    64    38.00000  118.40000
   66    72    73    70.00000  117.00000
   66    72    74    70.00000  117.00000
   66    75    76    37.50000  110.70000
   66    75    77    37.50000  110.70000
   66    75    80    58.35000  112.70000
   72    66    67    35.00000  109.50000
   74    72    73    80.00000  126.00000
   75    66    67    37.50000  110.70000
   75    66    72    63.00000  111.10000
   75    80    81    37.50000  110.70000
   75    80    82    37.50000  110.70000
   75    80    84    63.00000  111.10000
   77    75    76    33.00000  107.80000
   80    75    76    37.50000  110.70000
   80    75    77    37.50000  110.70000
   80    84    85    70.00000  117.00000
   80    84    86    70.00000  117.00000
   82    80    81    33.00000  107.80000
   84    80    81    35.00000  109.50000
   84    80    82    35.00000  109.50000
   86    84    85    80.00000  126.00000
   43    41    42    70.00000  121.06000
   43    48    51    70.00000  120.00000
   43    48    68    70.00000  120.00000
   45    43    44    33.00000  107.80000
   48    43    44    35.00000  109.50000
   48    43    45    35.00000  109.50000
   48    51    52    35.00000  120.00000
   48    51    54    63.00000  120.00000
   48    68    65    63.00000  120.00000
   48    68    69    35.00000  120.00000
   51    54    55    35.00000  120.00000
   51    54    60    63.00000  120.00000
   54    51    52    35.00000  120.00000
   54    60    65    63.00000  120.00000
   54    60    87    70.00000  120.44500
   60    54    55    35.00000  120.00000
   60    65    68    63.00000  120.00000
   60    65    70    85.00000  120.00000
   60    87    83    70.00000  111.79000
   65    68    69    35.00000  120.00000
   65    70    71    80.00000  120.40000
   65    70    78    75.00000  113.92100
   68    48    51    63.00000  120.00000
   70    65    68    85.00000  120.00000
   70    78    79    35.00000  119.80000
   70    78    83    70.00000  120.51600
   78    70    71    80.00000  122.90000
   78    83    87    80.00000  119.04400
   78    83    88    85.00000  111.44000
   83    78    79    45.00000  120.05200
   83    88    89    35.00000  119.50000
   83    88    90    35.00000  119.50000
   87    60    65    70.00000  120.44500
   88    83    87    75.00000  124.36500
   90    88    89    35.00000  109.00000
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   0.30150 -1.0 2.0
   29    33    39    41   0.00000  1.0 1.0
   33    39    41    42   0.76000  1.0 1.0
   33    39    41    42   4.11600 -1.0 2.0
   33    39    41    43   1.49850  1.0 1.0
   33    39    41    43   1.53950 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    41   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    41   0.00000  1.0 1.0
   39    41    42    46   1.00100  1.0 1.0
   39    41    42    46   0.85050 -1.0 2.0
   39    41    42    61   1.00100  1.0 1.0
   39    41    42    61   0.85050 -1.0 2.0
   39    41    43    44   0.00000  1.0 1.0
   39    41    43    45   0.00000  1.0 1.0
   39    41    43    48  -0.69800  1.0 1.0
   39    41    43    48  -0.21350 -1.0 2.0
   40    39    41    42   0.04000 -1.0 2.0
   40    39    41    43   3.04450 -1.0 2.0
   41    42    46    47   3.62500 -1.0 2.0
   41    42    46    49   3.62500 -1.0 2.0
   41    42    61    56   3.62500 -1.0 2.0
   41    42    61    62   3.62500 -1.0 2.0
   41    43    48    51  -0.24500  1.0 1.0
   41    43    48    51   0.48300 -1.0 2.0
   41    43    48    51   0.08900  1.0 3.0
   41    43    48    68  -0.24500  1.0 1.0
   41    43    48    68   0.48300 -1.0 2.0
   41    43    48    68   0.08900  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   0.00000  1.0 1.0
   42    41    43    48   0.17850 -1.0 2.0
   42    46    49    50   3.62500 -1.0 2.0
   42    46    49    53   3.62500 -1.0 2.0
   46    42    61    56   3.62500 -1.0 2.0
   46    42    61    62   3.62500 -1.0 2.0
   46    49   -53    56   3.62500 -1.0 2.0
   46    49    53    58   3.62500 -1.0 2.0
   47    46    49    50   3.62500 -1.0 2.0
   47    46    49    53   3.62500 -1.0 2.0
   49    53    56    57   3.62500 -1.0 2.0
   49    53    56    61   3.62500 -1.0 2.0
   49    53    58    59   1.05000 -1.0 2.0
   49    53    58    63   0.75700  1.0 1.0
   49    53    58    63   0.34650 -1.0 2.0
   49    53    58    63   0.33000  1.0 3.0
   49    53    58    63  -0.28100 -1.0 4.0
   50    49    53    56   3.62500 -1.0 2.0
   50    49    53    58   3.62500 -1.0 2.0
   53    56   -61    42   3.62500 -1.0 2.0
   53    56    61    62   3.62500 -1.0 2.0
   53    58    63    64   2.56700 -1.0 2.0
   53    58    63    66   1.49850  1.0 1.0
   53    58    63    66   1.53950 -1.0 2.0
   56    53    58    59   1.05000 -1.0 2.0
   56    53    58    63   0.75700  1.0 1.0
   56    53    58    63   0.34650 -1.0 2.0
   56    53    58    63   0.33000  1.0 3.0
   56    53    58    63  -0.28100 -1.0 4.0
   57    56    61    42   3.62500 -1.0 2.0
   57    56    61    62   3.62500 -1.0 2.0
   61    42    46    47   3.62500 -1.0 2.0
   61    42   -46    49   3.62500 -1.0 2.0
   58    53    56    57   3.62500 -1.0 2.0
   58    53    56    61   3.62500 -1.0 2.0
   58    63    66    67   0.00000  1.0 1.0
   58    63    66    72  -0.29800  1.0 1.0
   58    63    66    72   0.13950 -1.0 2.0
   58    63    66    72  -2.45650  1.0 3.0
   58    63    66    75   0.25950  1.0 1.0
   58    63    66    75   0.43850 -1.0 2.0
   58    63    66    75   2.61650  1.0 3.0
   59    58    63    64   2.45000 -1.0 2.0
   59    58    63    66   3.04450 -1.0 2.0
   63    66    72    73   0.00000  1.0 1.0
   63    66    72    74   0.00000  1.0 1.0
   63    66    75    76   0.23200  1.0 3.0
   63    66    75    77   0.23200  1.0 3.0
   63    66    75    80   1.79450  1.0 1.0
   63    66    75    80   1.06000 -1.0 2.0
   63    66    75    80  -0.53000  1.0 3.0
   64    63    66    67   0.00000  1.0 1.0
   64    63    66    72   0.00000  1.0 1.0
   64    63    66    75   0.00000  1.0 1.0
   66    75    80    81   0.15000  1.0 3.0
   66    75    80    82   0.15000  1.0 3.0
   66    75    80    84  -1.59250  1.0 1.0
   66    75    80    84  -0.41250 -1.0 2.0
   66    75    80    84   0.24650  1.0 3.0
   67    66    72    73   0.00000  1.0 1.0
   67    66    72    74   0.00000  1.0 1.0
   67    66    75    76   0.15000  1.0 3.0
   67    66    75    77   0.15000  1.0 3.0
   67    66    75    80   0.15000  1.0 3.0
   72    66    75    76  -0.03800  1.0 3.0
   72    66    75    77  -0.03800  1.0 3.0
   72    66    75    80  -0.76350  1.0 1.0
   72    66    75    80   1.70300 -1.0 2.0
   75    66    72    73   0.00000  1.0 1.0
   75    66    72    74   0.00000  1.0 1.0
   75    80    84    85   0.27300 -1.0 2.0
   75    80    84    86   0.27300 -1.0 2.0
   76    75    80    81   0.15000  1.0 3.0
   76    75    80    82   0.15000  1.0 3.0
   76    75    80    84  -0.11250  1.0 3.0
   77    75    80    81   0.15000  1.0 3.0
   77    75    80    82   0.15000  1.0 3.0
   77    75    80    84  -0.11250  1.0 3.0
   81    80    84    85   0.00000  1.0 1.0
   81    80    84    86   0.00000  1.0 1.0
   82    80    84    85   0.00000  1.0 1.0
   82    80    84    86   0.00000  1.0 1.0
   43    41    42    46   0.81400  1.0 1.0
   43    41    42    46   1.55550 -1.0 2.0
   43    41    42    61   0.81400  1.0 1.0
   43    41    42    61   1.55550 -1.0 2.0
   43    48    51    52   3.62500 -1.0 2.0
   43    48    51    54   3.62500 -1.0 2.0
   43    48    68    65   3.62500 -1.0 2.0
   43    48    68    69   3.62500 -1.0 2.0
   44    43    48    51   0.00000  1.0 1.0
   44    43    48    68   0.00000  1.0 1.0
   45    43    48    51   0.00000  1.0 1.0
   45    43    48    68   0.00000  1.0 1.0
   48    51    54    55   3.62500 -1.0 2.0
   48    51    54    60   3.62500 -1.0 2.0
   51    48    68    65   3.62500 -1.0 2.0
   51    48    68    69   3.62500 -1.0 2.0
   51    54   -60    65   3.62500 -1.0 2.0
   51    54    60    87   3.62500 -1.0 2.0
   52    51    54    55   3.62500 -1.0 2.0
   52    51    54    60   3.62500 -1.0 2.0
   54    60    65    68   3.62500 -1.0 2.0
   54    60    65    70   3.62500 -1.0 2.0
   54    60    87    83   1.25000 -1.0 2.0
   55    54    60    65   3.62500 -1.0 2.0
   55    54    60    87   3.62500 -1.0 2.0
   60    65   -68    48   3.62500 -1.0 2.0
   60    65    68    69   3.62500 -1.0 2.0
   60    65    70    71   1.05000 -1.0 2.0
   60    65    70    78   0.75700  1.0 1.0
   60    65    70    78   0.34650 -1.0 2.0
   60    65    70    78   0.33000  1.0 3.0
   60    65    70    78  -0.28100 -1.0 4.0
   65    60    87    83   1.25000 -1.0 2.0
   65    70    78    79   2.56700 -1.0 2.0
   65    70   -78    83   2.45000 -1.0 2.0
   68    48    51    52   3.62500 -1.0 2.0
   68    48   -51    54   3.62500 -1.0 2.0
   68    65    70    71   1.05000 -1.0 2.0
   68    65    70    78   0.75700  1.0 1.0
   68    65    70    78   0.34650 -1.0 2.0
   68    65    70    78   0.33000  1.0 3.0
   68    65    70    78  -0.28100 -1.0 4.0
   70    65    68    48   3.62500 -1.0 2.0
   70    65    68    69   3.62500 -1.0 2.0
   70    78    83    87  -0.56400  1.0 1.0
   70    78    83    87   0.77500 -1.0 2.0
   70    78    83    87   0.18700  1.0 3.0
   70    78    83    88  -0.56400  1.0 1.0
   70    78    83    88   0.77500 -1.0 2.0
   70    78    83    88   0.18700  1.0 3.0
   71    70    78    79   2.45000 -1.0 2.0
   71    70    78    83   2.67200 -1.0 2.0
   78    83   -87    60   6.00000 -1.0 2.0
   78    83    88    89   1.00000 -1.0 2.0
   78    83    88    90   1.00000 -1.0 2.0
   79    78    83    87   1.00000 -1.0 2.0
   79    78    83    88   1.00000 -1.0 2.0
   87    60    65    68   3.62500 -1.0 2.0
   87    60   -65    70   3.62500 -1.0 2.0
   87    83    88    89   1.50000 -1.0 2.0
   87    83    88    90   1.50000 -1.0 2.0
   88    83    87    60   6.00000 -1.0 2.0
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
   33    41    39    40  10.50000 -1.0 2.0
   43    39    41    42   1.00000 -1.0 2.0
   46    61    42    41   4.00000 -1.0 2.0
   49    47    46    42   1.10000 -1.0 2.0
   53    50    49    46   1.10000 -1.0 2.0
   56    58    53    49   4.00000 -1.0 2.0
   61    57    56    53   1.10000 -1.0 2.0
   56    62    61    42   1.10000 -1.0 2.0
   53    63    58    59  10.50000 -1.0 2.0
   64    58    63    66   1.00000 -1.0 2.0
   73    66    72    74  10.50000 -1.0 2.0
   85    80    84    86  10.50000 -1.0 2.0
   51    68    48    43   4.00000 -1.0 2.0
   54    52    51    48   1.10000 -1.0 2.0
   60    55    54    51   1.10000 -1.0 2.0
   65    87    60    54   4.00000 -1.0 2.0
   68    70    65    60   4.00000 -1.0 2.0
   65    69    68    48   1.10000 -1.0 2.0
   65    78    70    71  10.50000 -1.0 2.0
   79    70    78    83   1.00000 -1.0 2.0
   78    88    83    87  10.50000 -1.0 2.0
   90    83    88    89   1.00000 -1.0 2.0
END
