* LIGAND DATABASE FILE (OPLS2005)
*
001      92    94    164    243     461
    1     0 S   NP   _N1_     1    28.95035    95.18533   -16.61208
    2     1 S   H    _HN1     2     1.02818    47.86079   135.61805
    3     1 S   H    _H1_     3     1.02782    64.14187   -70.49607
    4     1 S   H    _H2_     4     1.03080   102.08169    33.67766
    5     1 S   CT   _CA1     5     1.50012   145.71116  -162.65449
    6     5 S   HC   _HA1     6     1.09573   105.22663    13.29282
    7     5 S   CO3  _C1_     7     1.53843   112.11614  -106.99023
    8     7 S   O2Z  _O11     8     1.26346   115.12793   -53.41635
    9     7 S   O2Z  _O12     9     1.26231   114.86403   125.75683
   10     5 S   CT   _CB1    10     1.53091   107.72351   131.10069
   11    10 S   HC   HB11    11     1.09791   109.68465   -49.03833
   12    10 S   HC   HB12    12     1.09679   110.40014    67.84425
   13    10 S   CT   _CG1    13     1.53000   112.53011  -170.23741
   14    13 S   HC   HG11    14     1.09550   110.35352   -56.76862
   15    13 S   HC   HG12    15     1.09617   110.17744    62.20820
   16    13 S   C    _CD1    16     1.51867   111.97665  -177.70109
   17    16 S   O    _OE1    17     1.22740   123.08535   -16.56797
   18    16 S   N    _N2_    18     1.38577   111.76310   164.40469
   19    18 S   H    _HN2    19     1.01583   118.94739     1.05109
   20    18 S   CT1  _CA2    20     1.46344   123.62049  -177.75511
   21    20 S   HC   _HA2    21     1.09733   109.41318   -16.14344
   22    20 S   C    _C2_    22     1.53393   108.07542  -131.82843
   23    22 S   O    _O2_    23     1.22996   122.35180  -144.65509
   24    20 S   CT   _CB2    32     1.53605   111.07145   106.18029
   25    24 S   HC   HB21    33     1.09233   109.00072    53.40821
   26    24 S   HC   HB22    34     1.09501   110.72792   171.53545
   27    22 S   N    _N3_    24     1.38543   113.25860    42.67878
   28    27 S   H    _HN3    25     1.01532   118.90929    -0.51282
   29    24 S   S    _SG2    35     1.82884   111.08216   -69.84011
   30    27 S   CT   _CA3    26     1.45447   123.40101   175.03280
   31    30 S   HC   HA31    27     1.09527   109.16533    25.58186
   32    30 S   HC   HA32    28     1.09493   107.13301   142.58965
   33    29 S   CT   _C10    36     1.89464   103.06448   146.20076
   34    30 S   CO3  _C3_    29     1.52941   113.19602   -97.83648
   35    34 S   O2Z  _O31    30     1.26396   115.45087   -42.94248
   36    34 S   O2Z  _O32    31     1.26361   114.94653   137.99398
   37    33 S   CM   _C9_    37     1.59097   103.75346   170.04718
   38    33 S   CT   _C22    84     1.55818   109.84012    46.54283
   39    38 S   HC   _H21    85     1.09348   113.36410    43.78731
   40    38 S   HC   _H22    86     1.09725   110.63148   -75.34924
   41    37 S   N4   _N4_    38     1.38611   115.39239    93.15248
   42    37 S   CMA  _C8_    68     1.37895   124.25871   -82.77460
   43    42 S   OM   _O42    69     1.27049   125.75527  -174.49868
   44    38 S   OS   _O40    87     1.44192   109.43018   167.19272
   45    41 S   C4   _C13    39     1.36039   137.40780  -148.88787
   46    45 S   O    _O36    40     1.21047   135.23202     0.19383
   47    41 S   C4T  _C12    43     1.45345   126.38239    31.79849
   48    47 S   HC   _H4_    44     1.09725   112.07838    71.52456
   49    42 S   OS   _O35    70     1.41369   112.33734     6.75067
   50    44 S   CO4  _C23    88     1.36053   116.06101  -175.34992
   51    50 S   O    _O41    89     1.22509   125.59452    -1.27103
   52    45 S   C4T  _C14    41     1.55055    90.77808   175.16503
   53    52 S   HC   _H5_    42     1.09600   113.10741   118.62282
   54    47 S   S    _S1_    45     1.80245   110.85160   -57.25116
   55    49 S   CO   _C5_    71     1.43925   117.18490  -156.42769
   56    55 S   HC   _H3_    72     1.09789   109.94167   -57.13727
   57    50 S   N    _N7_    90     1.36848   110.16762   178.86979
   58    57 S   H    _H23    91     1.01304   121.05897  -179.86438
   59    57 S   H    _H24    92     1.01331   120.90853    -0.90461
   60    33 S   CT   _C11    46     1.56143   108.87677   -67.67561
   61    60 S   HC   _H12    47     1.09400   112.02250    55.99925
   62    60 S   HC   _H13    48     1.09750   109.83550   172.96882
   63    52 S   N    _N5_    49     1.47963   114.00803  -112.91507
   64    63 S   H    _H14    50     1.01989   119.32217   110.99164
   65    55 S   CT   _C4_    73     1.52518   106.51841  -174.77775
   66    65 S   HC   _H6_    74     1.09576   110.60359   -62.47115
   67    65 S   HC   _H7_    75     1.09417   111.37524   178.36051
   68    65 S   HC   _H8_    76     1.09464   110.89056    56.64038
   69    55 S   OS   _O33    77     1.44119   111.40030    67.25592
   70    63 S   C    _C15    51     1.37935   122.49330   -67.19144
   71    70 S   O    _O37    52     1.22071   128.47356    -6.23215
   72    69 S   CO4  _C6_    78     1.36072   117.06742  -156.50812
   73    72 S   O    _O34    79     1.22327   126.59006    -1.95064
   74    70 S   CD   _C16    53     1.50218   112.95436   171.85920
   75    72 S   CT   _C7_    80     1.49846   109.42325   178.77875
   76    75 S   HC   _H9_    81     1.09310   109.88769   -56.80106
   77    75 S   HC   _H10    82     1.09274   109.77871    65.10401
   78    75 S   HC   _H11    83     1.09376   109.36602  -175.61689
   79    74 S   C5A  _C18    54     1.43668   115.78597   -86.73192
   80    74 S   NI   _N6_    62     1.29671   122.81062    92.63271
   81    79 S   C5BC _C19    55     1.38271   132.50971     0.02798
   82    81 S   HA   _H18    56     1.08163   126.46075    -0.80454
   83    80 S   OS   _O38    63     1.40177   111.03505     0.23821
   84    81 S   C5BC _C20    57     1.41521   106.72543   178.69269
   85    84 S   HA   _H19    58     1.08049   127.53793  -179.65622
   86    83 S   CT   _C17    64     1.41938   108.22524  -176.19188
   87    86 S   HC   _H15    65     1.09311   108.48170   180.00000
   88    86 S   HC   _H16    66     1.09447   110.33189    60.97711
   89    86 S   HC   _H17    67     1.09438   110.34326   -60.95704
   90    84 S   C5A  _C21    59     1.37347   106.11346     0.20367
   91    90 S   HA   _H20    60     1.08024   133.74717  -180.00000
   92    79 S   OA   _O39    61     1.36884   118.11626   178.74914
  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  12   5   4   3
  16   2   1   1  18  12   4   3  12   9   2   6   9   4  10   5
   8   4   3   8   4   4   9   6   2   1   1   2   1   1   6   3
   5   3   2   1   6   7   3   5   4   9   3   2   1   1   9   7
   6   4   4   4   3   3   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    60    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    54    60    61    62    42    38    39    40    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    45    47    54    60    61    62    42    43    49    38    39    40    44    50  
   35    36  
   36  
    0  
   41    45    46    52    47    48    54    60    61    62    42    43    49    55    38    39    40    44  
   39    40    44    50    51    57    41    42    54    60    61    62  
   40    44    50    60  
   44    50    60  
   45    46    52    53    47    48    54    60    63    42    43    49  
   43    49    55    56    65    69    45    47    60  
   49    55  
   50    51    57    58    59    60  
   46    52    53    47    48    54    63    64    70  
   52    53    47    63  
   48    54    60    61    62    63    64    70    52    53  
   54    60    63    52    53  
   55    56    65    66    67    68    69    72  
   51    57    58    59  
   57    58    59  
   53    54    60    63    64    70    71    74  
   54    63    64    70  
   60    61    62    63  
   56    65    66    67    68    69    72    73    75  
   65    66    67    68    69    72  
   58    59  
   59  
    0  
   61    62  
   62  
    0  
   64    70    71    74    79    80  
   70    71    74  
   66    67    68    69    72  
   67    68    69  
   68    69  
   69  
   72    73    75    76    77    78  
   71    74    79    81    92    80    83  
   74    79    80  
   73    75    76    77    78  
   75    76    77    78  
   79    81    82    84    90    92    80    83    86  
   76    77    78  
   77    78  
   78  
    0  
   81    82    84    85    90    91    92    80    83  
   83    86    87    88    89    81    92  
   82    84    85    90    91    92  
   84    85    90    92  
   86    87    88    89  
   85    90    91    92  
   90    91    92  
   87    88    89  
   88    89  
   89  
    0  
   91    92  
   92  
    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   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   41   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   42   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   47   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   2.8500   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   52   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   55   3.5000   0.0660   0.271400   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   57   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   58   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   59   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   60   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   64   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   70   3.7500   0.1050   0.500000   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   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.7500   0.1050   0.389700   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   3.5500   0.0700   0.123000   2.0020   1.7750   0.001000000  -0.843144165
   80   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   81   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   83   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   84   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   85   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   86   3.5000   0.0660   0.042500   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   91   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   92   2.9000   0.1400  -0.190000   1.6450   1.4500   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    60   268.000  1.529
   33    38   268.000  1.529
   37    41   400.000  1.384
   37    42   465.000  1.376
   41    45   440.000  1.369
   41    47   305.000  1.456
   45    46   930.000  1.212
   45    52   250.000  1.540
   52    53   340.000  1.090
   52    47   268.000  1.529
   52    63   337.000  1.449
   47    48   340.000  1.090
   47    54   200.000  1.824
   54    60   222.000  1.810
   60    61   340.000  1.090
   60    62   340.000  1.090
   63    64   434.000  1.010
   63    70   490.000  1.335
   70    71   570.000  1.229
   70    74   270.000  1.486
   74    79   340.000  1.446
   74    80   500.000  1.261
   79    81   546.000  1.367
   79    92   340.000  1.360
   81    82   367.000  1.080
   81    84   469.000  1.424
   84    85   367.000  1.080
   84    90   546.000  1.367
   90    91   367.000  1.080
   90    92   340.000  1.360
   80    83   320.000  1.394
   83    86   320.000  1.410
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   42    43   745.000  1.250
   42    49   440.000  1.360
   49    55   320.000  1.380
   55    56   340.000  1.090
   55    65   250.000  1.527
   55    69   320.000  1.380
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   69    72   214.000  1.327
   72    73   570.000  1.229
   72    75   317.000  1.522
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    44   320.000  1.410
   44    50   214.000  1.327
   50    51   570.000  1.229
   50    57   435.000  1.380
   57    58   434.000  1.010
   57    59   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    60    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  113.82800
   33    37    42    70.00000  124.00000
   33    60    54    75.00000  111.63000
   33    60    61    37.50000  110.70000
   33    60    62    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    44    50.00000  109.50000
   37    41    45    50.00000  132.10000
   37    41    47    50.00000  132.70000
   37    42    43    65.00000  137.10300
   37    42    49    80.00000  120.01400
   41    45    46    75.00000  131.60000
   41    45    52    95.00000   92.72400
   41    47    52   105.00000   87.49700
   41    47    48    50.00000  112.01000
   41    47    54    80.00000  108.62000
   45    52    53    40.00000  113.37500
   45    52    47   100.00000   86.36000
   45    52    63    75.00000  110.24000
   52    45    46    60.00000  136.58000
   52    47    48    37.50000  110.70000
   52    47    54    65.00000  119.05700
   52    63    64    38.00000  118.40000
   52    63    70    50.00000  121.90000
   47    41    45   100.00000   93.00000
   47    52    53    37.50000  110.70000
   47    54    60    85.00000   99.86700
   54    47    48    45.00000  109.41400
   54    60    61    35.00000  109.50000
   54    60    62    35.00000  109.50000
   60    33    37    70.00000  112.02700
   62    60    61    33.00000  107.80000
   63    52    53    50.00000  112.01000
   63    52    47    80.00000  110.05700
   63    70    71    80.00000  122.90000
   63    70    74    75.00000  109.57000
   70    63    64    35.00000  119.80000
   70    74    79    75.00000  114.44000
   70    74    80    65.00000  123.79500
   74    70    71    80.00000  120.45000
   74    79    81    50.00000  135.19500
   74    79    92    85.00000  115.13500
   74    80    83   100.00000  109.52600
   79    81    82    35.00000  125.70000
   79    81    84    70.00000  107.30000
   79    92    90    70.00000  106.50000
   81    84    85    35.00000  127.50000
   81    84    90    70.00000  107.30000
   84    81    82    35.00000  127.50000
   84    90    91    35.00000  132.10000
   84    90    92    70.00000  110.60000
   90    84    85    35.00000  125.70000
   92    79    81    70.00000  110.60000
   92    90    91    35.00000  113.40000
   80    74    79    70.00000  124.86800
   80    83    86   110.00000  106.71400
   83    86    87    35.00000  109.50000
   83    86    88    35.00000  109.50000
   83    86    89    35.00000  109.50000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   42    37    41    75.00000  120.83300
   42    49    55    85.00000  113.97000
   49    42    43    65.00000  121.00000
   49    55    56    35.00000  109.50000
   49    55    65    90.00000  108.56700
   49    55    69    92.60000  111.55000
   55    65    66    45.00000  108.72000
   55    65    67    45.00000  108.72000
   55    65    68    45.00000  108.72000
   55    69    72    95.00000  111.08000
   65    55    56    45.00000  112.01100
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   69    55    56    35.00000  109.50000
   69    55    65    90.00000  108.56700
   69    72    73    83.00000  123.40000
   69    72    75    81.00000  111.40000
   72    75    76    35.00000  109.50000
   72    75    77    35.00000  109.50000
   72    75    78    35.00000  109.50000
   75    72    73    80.00000  120.40000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    60    58.35000  112.70000
   38    44    50    83.00000  116.90000
   40    38    39    33.00000  107.80000
   44    38    39    35.00000  109.50000
   44    38    40    35.00000  109.50000
   44    50    51    83.00000  123.40000
   44    50    57   110.00000  108.75700
   50    57    58    50.00000  116.34900
   50    57    59    50.00000  116.34900
   57    50    51    85.00000  125.96000
   59    57    58    35.00000  120.00000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    60   0.01700  1.0 1.0
   24    29    33    60  -0.23550 -1.0 2.0
   24    29    33    60   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    41   0.09700  1.0 1.0
   29    33    37    41   0.15600 -1.0 2.0
   29    33    37    41  -0.50800  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    60    54   0.56750  1.0 1.0
   29    33    60    54  -0.07550 -1.0 2.0
   29    33    60    54   0.20000  1.0 3.0
   29    33    60    61   0.15000  1.0 3.0
   29    33    60    62   0.15000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   33    37    41    45   0.00000  1.0 1.0
   33    37    41    47   0.00000  1.0 1.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    49   7.00000 -1.0 2.0
   33    38    44    50  -0.25900  1.0 1.0
   33    38    44    50  -0.47000 -1.0 2.0
   33    38    44    50   0.11750  1.0 3.0
   37    33    60    54   0.56750  1.0 1.0
   37    33    60    54  -0.07550 -1.0 2.0
   37    33    60    54   0.20000  1.0 3.0
   37    33    60    61   0.15000  1.0 3.0
   37    33    60    62   0.15000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    44   0.61850  1.0 1.0
   37    33    38    44  -0.22750 -1.0 2.0
   37    33    38    44   0.15300  1.0 3.0
   37    41    45    46   3.00000 -1.0 2.0
   37    41    45    52   3.00000 -1.0 2.0
   37    41   -47    52   0.00000  1.0 1.0
   37    41    47    48   0.00000  1.0 1.0
   37    41   -47    54   0.00000  1.0 1.0
   37    42    49    55  -2.26850  1.0 1.0
   37    42    49    55   3.39050 -1.0 2.0
   41    37    42    43   7.00000 -1.0 2.0
   41    37    42    49   7.00000 -1.0 2.0
   41    45    52    53   0.00000  1.0 1.0
   41    45   -52    47   3.00000 -1.0 2.0
   41    45    52    63   0.00000  1.0 1.0
   41    47    54    60   0.01700  1.0 1.0
   41    47    54    60  -0.23550 -1.0 2.0
   41    47    54    60   0.21350  1.0 3.0
   45    41   -47    52   0.00000  1.0 1.0
   45    41    47    48   0.00000  1.0 1.0
   45    41    47    54   0.00000  1.0 1.0
   45    52   -47    41   3.00000 -1.0 2.0
   45    52   -47    48   0.15000  1.0 3.0
   45    52   -47    54   0.00000  1.0 1.0
   45    52    63    64   0.00000  1.0 1.0
   45    52    63    70  -0.42300  1.0 1.0
   45    52    63    70  -0.07000 -1.0 2.0
   45    52    63    70   0.04150  1.0 3.0
   46    45    52    53   0.00000  1.0 1.0
   46    45    52    47  -0.11250  1.0 1.0
   46    45    52    47   0.11400 -1.0 2.0
   46    45    52    47  -0.28950  1.0 3.0
   46    45    52    63   0.30150 -1.0 2.0
   52    47    54    60   0.25150  1.0 1.0
   52    47    54    60  -1.17200 -1.0 2.0
   52    47    54    60   0.53050  1.0 3.0
   52    63    70    71   3.04450 -1.0 2.0
   52    63    70    74   1.49850  1.0 1.0
   52    63    70    74   1.53950 -1.0 2.0
   53    52   -47    41   0.15000  1.0 3.0
   53    52    47    48   0.15000  1.0 3.0
   53    52    47    54   0.00000  1.0 1.0
   53    52    63    64   0.00000  1.0 1.0
   53    52    63    70   0.00000  1.0 1.0
   47    41   -45    46   3.00000 -1.0 2.0
   47    41   -45    52   3.00000 -1.0 2.0
   47    52    63    64   0.00000  1.0 1.0
   47    52    63    70  -0.43950  1.0 1.0
   47    52    63    70  -0.08100 -1.0 2.0
   47    52    63    70   0.03350  1.0 3.0
   47    54   -60    33  -0.25000 -1.0 2.0
   47    54   -60    33  -0.01800  1.0 3.0
   47    54    60    61   0.32350  1.0 3.0
   47    54    60    62   0.32350  1.0 3.0
   48    47    54    60   0.00000  1.0 1.0
   60    33   -37    41  -0.93550  1.0 1.0
   60    33   -37    41   0.38900 -1.0 2.0
   60    33   -37    41   0.16950  1.0 3.0
   60    33    37    42   0.09850  1.0 1.0
   60    33    37    42   0.15250 -1.0 2.0
   60    33    37    42  -0.50650  1.0 3.0
   60    33    38    39   0.15000  1.0 3.0
   60    33    38    40   0.15000  1.0 3.0
   60    33    38    44   0.62750  1.0 1.0
   60    33    38    44  -0.30950 -1.0 2.0
   60    33    38    44   0.27300  1.0 3.0
   63    52   -47    41   2.20050  1.0 1.0
   63    52   -47    41   0.63450 -1.0 2.0
   63    52   -47    41  -0.91300  1.0 3.0
   63    52    47    48   0.15000  1.0 3.0
   63    52    47    54   0.00000  1.0 1.0
   63    70    74    79   1.50000 -1.0 2.0
   63    70    74    80   1.50000 -1.0 2.0
   64    63    70    71   2.45000 -1.0 2.0
   64    63    70    74   2.56700 -1.0 2.0
   70    74    79    81   0.30050 -1.0 2.0
   70    74    79    81   0.16600  1.0 3.0
   70    74    79    92   0.30050 -1.0 2.0
   70    74    79    92   0.16600  1.0 3.0
   70    74    80    83   6.00000 -1.0 2.0
   71    70    74    79   1.00000 -1.0 2.0
   71    70    74    80   1.00000 -1.0 2.0
   74    79    81    82   3.62500 -1.0 2.0
   74    79    81    84   3.62500 -1.0 2.0
   74    79    92    90   3.62500 -1.0 2.0
   74    80    83    86   1.50000 -1.0 2.0
   79    74    80    83   6.00000 -1.0 2.0
   79    81    84    85   3.62500 -1.0 2.0
   79    81   -84    90   3.62500 -1.0 2.0
   81    79   -92    90   3.62500 -1.0 2.0
   81    84    90    91   3.62500 -1.0 2.0
   81    84   -90    92   3.62500 -1.0 2.0
   82    81    84    85   3.62500 -1.0 2.0
   82    81    84    90   3.62500 -1.0 2.0
   84    90   -92    79   3.62500 -1.0 2.0
   85    84    90    91   3.62500 -1.0 2.0
   85    84    90    92   3.62500 -1.0 2.0
   91    90    92    79   3.62500 -1.0 2.0
   92    79    81    82   3.62500 -1.0 2.0
   92    79   -81    84   3.62500 -1.0 2.0
   80    74    79    81   1.02250 -1.0 2.0
   80    74    79    92   1.02250 -1.0 2.0
   80    83    86    87   0.37500  1.0 3.0
   80    83    86    88   0.37500  1.0 3.0
   80    83    86    89   0.37500  1.0 3.0
   42    37    41    45   0.00000  1.0 1.0
   42    37    41    47   0.00000  1.0 1.0
   42    49    55    56   0.08050  1.0 3.0
   42    49    55    65  -0.46850  1.0 1.0
   42    49    55    65   0.09300 -1.0 2.0
   42    49    55    65  -0.12850  1.0 3.0
   42    49    55    69  -0.48150  1.0 1.0
   42    49    55    69   0.09250 -1.0 2.0
   42    49    55    69  -0.12850  1.0 3.0
   43    42    49    55   2.00000 -1.0 2.0
   49    55    65    66   0.23400  1.0 3.0
   49    55    65    67   0.23400  1.0 3.0
   49    55    65    68   0.23400  1.0 3.0
   49    55    69    72  -1.83450  1.0 1.0
   49    55    69    72  -0.02700 -1.0 2.0
   49    55    69    72  -0.20100  1.0 3.0
   55    69    72    73   3.00000 -1.0 2.0
   55    69    72    75   1.63150  1.0 1.0
   55    69    72    75   2.92000 -1.0 2.0
   56    55    65    66   0.15000  1.0 3.0
   56    55    65    67   0.15000  1.0 3.0
   56    55    65    68   0.15000  1.0 3.0
   56    55    69    72   0.08050  1.0 3.0
   65    55    69    72  -2.60950  1.0 1.0
   65    55    69    72   1.40200 -1.0 2.0
   65    55    69    72   0.21950  1.0 3.0
   69    55    65    66   0.23400  1.0 3.0
   69    55    65    67   0.23400  1.0 3.0
   69    55    65    68   0.23400  1.0 3.0
   69    72    75    76   0.00000  1.0 1.0
   69    72    75    77   0.00000  1.0 1.0
   69    72    75    78   0.00000  1.0 1.0
   73    72    75    76   0.00000  1.0 1.0
   73    72    75    77   0.00000  1.0 1.0
   73    72    75    78   0.00000  1.0 1.0
   38    33    37    41  -0.93550  1.0 1.0
   38    33    37    41   0.38900 -1.0 2.0
   38    33    37    41   0.16950  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    60    54   0.44750  1.0 1.0
   38    33    60    54  -0.17800 -1.0 2.0
   38    33    60    54   0.20200  1.0 3.0
   38    33    60    61   0.15000  1.0 3.0
   38    33    60    62   0.15000  1.0 3.0
   38    44    50    51   3.00000 -1.0 2.0
   38    44    50    57  -0.80800  1.0 1.0
   38    44    50    57   2.06850 -1.0 2.0
   39    38    44    50   0.08050  1.0 3.0
   40    38    44    50   0.08050  1.0 3.0
   44    50    57    58   2.56700 -1.0 2.0
   44    50    57    59   2.56700 -1.0 2.0
   51    50    57    58   2.45000 -1.0 2.0
   51    50    57    59   2.45000 -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
   35    30    34    36  10.50000 -1.0 2.0
   33    41    37    42   1.10000 -1.0 2.0
   47    45    41    37   1.00000 -1.0 2.0
   41    52    45    46  10.50000 -1.0 2.0
   64    70    63    52   1.00000 -1.0 2.0
   63    74    70    71  10.50000 -1.0 2.0
   70    79    74    80  10.50000 -1.0 2.0
   81    92    79    74   4.00000 -1.0 2.0
   84    82    81    79   1.10000 -1.0 2.0
   90    85    84    81   1.10000 -1.0 2.0
   92    91    90    84   1.10000 -1.0 2.0
   43    49    42    37   1.10000 -1.0 2.0
   69    75    72    73  10.50000 -1.0 2.0
   44    57    50    51  10.50000 -1.0 2.0
   59    50    57    58   1.00000 -1.0 2.0
END
