* LIGAND DATABASE FILE (OPLS2005)
*
001      91    95    173    268     499
    1     0 S   NP   _N1_     1    29.52802    95.02577   -25.17874
    2     1 S   H    _HN1     2     1.02797   113.94519  -114.91026
    3     1 S   H    _H1_     3     1.02949    85.15176    -6.98337
    4     1 S   H    _H2_     4     1.02833    22.07801   166.78143
    5     1 S   CT   _CA1     5     1.50080   122.67985   104.28013
    6     5 S   HC   _HA1     6     1.09566   105.25691    80.16834
    7     5 S   CO3  _C1_     7     1.53819   112.40590   -40.25232
    8     7 S   O2Z  _O11     8     1.26378   115.03264   -44.76585
    9     7 S   O2Z  _O12     9     1.26227   114.93894   134.48092
   10     5 S   CT   _CB1    10     1.53053   107.45086  -161.74183
   11    10 S   HC   HB11    11     1.09837   109.61045   -49.15281
   12    10 S   HC   HB12    12     1.09768   110.32954    67.38783
   13    10 S   CT   _CG1    13     1.52987   112.54180  -169.99810
   14    13 S   HC   HG11    14     1.09565   110.81214   -62.13213
   15    13 S   HC   HG12    15     1.09652   109.70618    57.12014
   16    13 S   C    _CD1    16     1.51704   112.04413   177.96270
   17    16 S   O    _OE1    17     1.22759   123.19423    11.86975
   18    16 S   N    _N2_    18     1.38676   111.84687  -168.98477
   19    18 S   H    _HN2    19     1.01582   119.06857     3.24045
   20    18 S   CT1  _CA2    20     1.46072   123.25310   179.50862
   21    20 S   HC   _HA2    21     1.09587   109.17461     6.81250
   22    20 S   C    _C2_    22     1.53593   109.49548  -108.38999
   23    22 S   O    _O2_    23     1.23087   122.03645  -151.22461
   24    20 S   CT   _CB2    32     1.53392   111.77819   128.89438
   25    24 S   HC   HB21    33     1.09667   109.56696    66.74249
   26    24 S   HC   HB22    34     1.09569   110.65332  -176.38719
   27    22 S   N    _N3_    24     1.38244   113.96103    36.26180
   28    27 S   H    _HN3    25     1.01551   119.64965    -3.40036
   29    24 S   S    _SG2    35     1.83078   115.36130   -53.00705
   30    27 S   CT   _CA3    26     1.45287   123.25757   177.06422
   31    30 S   HC   HA31    27     1.09548   107.52299   -64.44946
   32    30 S   HC   HA32    28     1.09555   107.98627    52.00879
   33    29 S   CT   _C22    36     1.83995   100.61163   -57.92255
   34    33 S   HC   _H7_    37     1.09225   106.67672    63.24796
   35    30 S   CO3  _C3_    29     1.52970   114.03319   173.99877
   36    35 S   O2Z  _O31    30     1.26384   116.06056    -0.49496
   37    35 S   O2Z  _O32    31     1.26421   114.42557   179.56704
   38    33 S   CT   _C21    38     1.54573   109.70908  -177.67518
   39    38 S   HC   _H6_    39     1.09850   108.87323    54.04426
   40    38 S   CT   _C20    40     1.54796   110.44872   173.00339
   41    40 S   HC   _H5_    41     1.09860   107.56548    68.04000
   42    38 S   CO4  _C23    85     1.52344   111.58534   -63.77811
   43    42 S   O    _O34    86     1.22526   123.02040   125.45505
   44    40 S   CT   _C19    42     1.52812   114.50075  -174.47465
   45    44 S   HC   _H18    43     1.09536   110.24704   -46.92086
   46    44 S   HC   _H19    44     1.09844   108.46998  -162.70429
   47    40 S   CT   _C6_    56     1.53039   111.15473   -50.63241
   48    47 S   HC   _H4_    57     1.09845   108.98022   172.87489
   49    42 S   OS   _O35    87     1.36213   111.25255   -55.87490
   50    44 S   CA   _C18    45     1.49952   114.91123    78.08798
   51    47 S   CT   _C5_    58     1.53879   110.59570    52.75420
   52    51 S   HC   _H3_    59     1.09724   108.33388  -170.37725
   53    49 S   CT   _C24    88     1.43076   115.43544  -179.59846
   54    53 S   HC   _H20    89     1.09279   108.01748   174.10046
   55    53 S   HC   _H21    90     1.09431   110.63631    55.47477
   56    53 S   HC   _H22    91     1.09391   109.98007   -67.21955
   57    50 S   C56A _C17    46     1.40249   122.21338  -162.55077
   58    33 S   OS   _O33    60     1.42924   109.65129   -54.80941
   59    51 S   CT   _C4_    61     1.52806   114.00434    71.42813
   60    59 S   HC   _H8_    62     1.09334   112.79823   -60.29208
   61    59 S   HC   _H9_    63     1.09544   110.06992  -179.11707
   62    59 S   HC   _H10    64     1.09448   110.75887    60.86905
   63    57 S   C56B _C10    47     1.38995   123.24853  -176.79784
   64    57 S   NA   _N5_    73     1.37857   130.15656     2.85616
   65    64 S   H    _H17    74     1.01057   124.67608     0.16313
   66    63 S   CA   _C9_    48     1.39759   118.08644     0.26614
   67    66 S   HA   _H14    49     1.08512   121.69079  -179.73386
   68    63 S   C56B _C11    65     1.43070   107.88980  -179.81337
   69    66 S   CA   _C8_    50     1.38642   117.69995     0.09065
   70    69 S   HA   _H13    51     1.08574   120.68245  -179.22696
   71    68 S   CA   _C12    66     1.41145   134.06696   179.84174
   72    71 S   HA   _H15    67     1.08458   118.36720    -0.07402
   73    50 S   NAP  _N4_    52     1.35568   121.28841    21.76056
   74    71 S   CA   _C13    68     1.40463   119.69721   179.94766
   75    73 S   CT   _C7_    53     1.48663   122.11139    -7.01451
   76    75 S   HC   _H11    54     1.09685   105.24128  -104.76991
   77    75 S   HC   _H12    55     1.09738   107.20165   140.26931
   78    74 S   CA   _C14    69     1.40790   120.26500    -0.01978
   79    74 S   OS   _O37    80     1.37555   124.10308   179.97202
   80    78 S   CA   _C15    70     1.40312   120.56660    -0.02798
   81    80 S   HA   _H16    71     1.08383   122.67067  -179.95154
   82    78 S   OS   _O36    75     1.37637   115.49574   179.98022
   83    79 S   CT   _C26    81     1.42212   117.43065    -0.00000
   84    83 S   HC   _H26    82     1.09430   107.73287  -180.00000
   85    83 S   HC   _H27    83     1.09493   111.14584    62.30834
   86    83 S   HC   _H28    84     1.09493   111.14607   -62.29914
   87    68 S   C56A _C16    72     1.38986   107.28994    -0.27196
   88    82 S   CT   _C25    76     1.42219   117.40475  -179.86438
   89    88 S   HC   _H23    77     1.09430   107.73099   179.90513
   90    88 S   HC   _H24    78     1.09493   111.14998    62.20680
   91    88 S   HC   _H25    79     1.09492   111.14305   -62.39992
  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   8   5   4   3
  14   6   2   1   1  16   8  19   9   9   2  12   5   4  14   8
   4  13  10   6   3   2   1   1  12   5   4   2   1   1  13   9
   3   8   4   9   5   2   8   4   3  11   2   1   1  10   6   4
   2   5   3   2   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    58    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    51    58    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    51    52    58    59    42    43    49  
   38    39    40    51    58    42  
   36    37  
   37  
    0  
   39    40    41    44    45    46    50    75    47    48    51    58    42    43    49    53  
   40    41    44    47    58    42    43    49  
   41    44    45    46    50    57    73    75    76    77    47    48    51    52    58    59    42    43    49  
   44    45    46    50    75    47    48    51    42  
   43    49    53    54    55    56    44    47    58  
   49    53  
   45    46    50    57    63    69    73    75    47    48    51    64  
   46    50    57    73    47  
   50    57    73    47  
   48    51    52    58    59    60    61    62    50    69    73    75    76    77  
   51    52    58    59    73    75    76    77  
   53    54    55    56  
   57    63    66    69    70    73    75    76    77    68    87    64    65  
   52    58    59    60    61    62    73    75    76    77  
   58    59    60    61    62    75  
   54    55    56  
   55    56  
   56  
    0  
   63    66    67    69    73    75    68    71    80    87    64    65  
   59    60    61    62    75  
   60    61    62    75  
   61    62  
   62  
    0  
   66    67    69    70    73    68    71    72    74    80    87    64    65  
   65    66    68    71    73    78    80    81    87  
   68    80    87  
   67    69    70    73    75    68    71    87  
   69    70    73    68  
   71    72    74    78    80    81    87    79    69  
   70    73    75    76    77  
   73    75  
   72    74    78    80    87    82    79    83  
   74    78    87    79  
   75    76    77  
   78    80    81    87    82    88    79    83    84    85    86  
   76    77  
   77  
    0  
   80    81    87    82    88    89    90    91    79    83  
   83    84    85    86    80    82  
   81    87    82    88  
   87    82  
   88    89    90    91    87  
   84    85    86  
   85    86  
   86  
    0  
    0  
   89    90    91  
   90    91  
   91  
    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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5500   0.0700   0.007500   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5500   0.0700  -0.023500   2.5000   1.7750   0.001000000  -0.843144165
   58   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.015500   2.5000   1.7750   0.001000000  -0.843144165
   64   3.2500   0.1700  -0.239000   1.8650   1.6500   0.001000000  -0.511443539
   65   0.5000   0.0300   0.317000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700  -0.205100   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.015500   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700   0.007500   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.2500   0.1700   0.632500   1.9750   1.7500   0.001000000  -0.511443539
   74   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.5000   0.0660   0.002500   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   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   79   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   83   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5500   0.0700  -0.023500   2.5000   1.7750   0.001000000  -0.843144165
   88   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    38   268.000  1.529
   33    58   320.000  1.410
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   317.000  1.522
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    47   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    50   317.000  1.510
   50    57   469.000  1.400
   50    73   485.000  1.342
   57    63   447.000  1.419
   57    64   428.000  1.380
   63    66   469.000  1.404
   63    68   365.000  1.456
   66    67   367.000  1.080
   66    69   469.000  1.400
   69    70   367.000  1.080
   69    73   485.000  1.342
   73    75   280.000  1.457
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    47   268.000  1.529
   47    48   340.000  1.090
   47    51   268.000  1.529
   51    52   340.000  1.090
   51    58   320.000  1.410
   51    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   68    71   469.000  1.404
   68    87   447.000  1.419
   71    72   367.000  1.080
   71    74   469.000  1.400
   74    78   469.000  1.400
   74    79   450.000  1.364
   78    80   469.000  1.400
   78    82   450.000  1.364
   80    81   367.000  1.080
   80    87   469.000  1.400
   87    64   428.000  1.380
   64    65   434.000  1.010
   82    88   320.000  1.410
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   79    83   320.000  1.410
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   42    43   570.000  1.229
   42    49   214.000  1.327
   49    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    38    75.00000  111.63000
   29    33    58    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    63.00000  111.10000
   33    58    51    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    47    58.35000  112.70000
   38    42    43    80.00000  120.40000
   38    42    49    81.00000  111.40000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    50    70.00000  112.17500
   40    47    75    58.35000  112.70000
   40    47    48    37.50000  110.70000
   40    47    51    58.35000  112.70000
   44    40    41    37.50000  110.70000
   44    50    57    70.00000  120.00000
   44    50    73    70.00000  116.21300
   46    44    45    33.00000  107.80000
   50    44    45    35.00000  109.50000
   50    44    46    35.00000  109.50000
   50    57    63    85.00000  122.70000
   50    57    64    70.00000  132.80000
   50    73    69    70.00000  123.81700
   50    73    75    70.00000  119.18700
   57    63    66    85.00000  116.20000
   57    63    68    80.00000  105.47000
   57    64    87    90.00000   99.14000
   57    64    65    35.00000  123.10000
   63    66    67    35.00000  120.00000
   63    66    69    63.00000  120.00000
   63    68    71    50.00000  134.41300
   63    68    87    80.00000  105.47000
   66    69    70    35.00000  120.00000
   66    69    73    70.00000  119.29800
   69    66    67    35.00000  120.00000
   69    73    75    70.00000  119.18700
   73    50    57    70.00000  122.14000
   73    69    70    45.00000  112.84900
   73    75    76    50.00000  106.41000
   73    75    77    50.00000  106.41000
   73    75    47    75.00000  109.47200
   75    47    48    37.50000  110.70000
   75    47    51    58.35000  112.70000
   77    75    76    33.00000  107.80000
   47    40    41    37.50000  110.70000
   47    40    44    58.35000  112.70000
   47    75    76    37.50000  110.70000
   47    75    77    37.50000  110.70000
   47    51    52    37.50000  110.70000
   47    51    58    50.00000  109.50000
   47    51    59    58.35000  112.70000
   51    47    48    37.50000  110.70000
   51    59    60    37.50000  110.70000
   51    59    61    37.50000  110.70000
   51    59    62    37.50000  110.70000
   58    33    34    35.00000  109.50000
   58    33    38    50.00000  109.50000
   58    51    52    35.00000  109.50000
   59    51    52    37.50000  110.70000
   59    51    58    50.00000  109.50000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   68    63    66    50.00000  134.41300
   68    71    72    35.00000  120.00000
   68    71    74    63.00000  120.00000
   68    87    80    85.00000  122.70000
   68    87    64    70.00000  104.40000
   71    74    78    63.00000  120.00000
   71    74    79    70.00000  120.00000
   74    71    72    35.00000  120.00000
   74    78    80    63.00000  120.00000
   74    78    82    70.00000  120.00000
   74    79    83    75.00000  111.00000
   78    80    81    35.00000  120.00000
   78    80    87    85.00000  120.00000
   78    82    88    75.00000  111.00000
   80    87    64    70.00000  132.80000
   87    68    71    85.00000  116.20000
   87    80    81    35.00000  120.00000
   87    64    65    35.00000  123.10000
   64    57    63    70.00000  104.40000
   82    78    80    70.00000  120.00000
   82    88    89    35.00000  109.50000
   82    88    90    35.00000  109.50000
   82    88    91    35.00000  109.50000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   79    74    78    70.00000  120.00000
   79    83    84    35.00000  109.50000
   79    83    85    35.00000  109.50000
   79    83    86    35.00000  109.50000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    63.00000  111.10000
   42    49    53    83.00000  116.90000
   49    42    43    83.00000  123.40000
   49    53    54    35.00000  109.50000
   49    53    55    35.00000  109.50000
   49    53    56    35.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    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
   24    29    33    58   0.13850  1.0 1.0
   24    29    33    58  -1.34450 -1.0 2.0
   24    29    33    58   0.57400  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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    58    51   0.14700  1.0 1.0
   29    33    58    51  -1.16150 -1.0 2.0
   29    33    58    51   0.48700  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    47   0.56750  1.0 1.0
   33    38    40    47  -0.07550 -1.0 2.0
   33    38    40    47   0.20000  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    49   0.36750  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42  -0.11250  1.0 3.0
   34    33    58    51   0.37050  1.0 3.0
   38    33    58    51   0.06250  1.0 1.0
   38    33    58    51  -0.01100 -1.0 2.0
   38    33    58    51   0.28050  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40    44    46   0.15000  1.0 3.0
   38    40    44    50  -0.03700  1.0 1.0
   38    40    44    50   0.37200 -1.0 2.0
   38    40    44    50  -0.47300  1.0 3.0
   38    40    47    75   0.56750  1.0 1.0
   38    40    47    75  -0.07550 -1.0 2.0
   38    40    47    75   0.20000  1.0 3.0
   38    40    47    48   0.15000  1.0 3.0
   38    40   -47    51   0.56750  1.0 1.0
   38    40   -47    51  -0.07550 -1.0 2.0
   38    40   -47    51   0.20000  1.0 3.0
   38    42    49    53   1.63150  1.0 1.0
   38    42    49    53   2.92000 -1.0 2.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    47   0.15000  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    49   0.00000  1.0 1.0
   40    38    42    43   0.30150 -1.0 2.0
   40    38    42    49   0.36750  1.0 3.0
   40    44    50    57   0.04150 -1.0 2.0
   40    44    50    73   0.29300  1.0 1.0
   40    44    50    73  -1.19700 -1.0 2.0
   40    44    50    73   0.60900  1.0 3.0
   40    47    51    52   0.15000  1.0 3.0
   40    47    51    58   0.62750  1.0 1.0
   40    47    51    58  -0.30950 -1.0 2.0
   40    47    51    58   0.27300  1.0 3.0
   40    47    51    59   0.56750  1.0 1.0
   40    47    51    59  -0.07550 -1.0 2.0
   40    47    51    59   0.20000  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    50   0.43200  1.0 3.0
   41    40    47    75   0.15000  1.0 3.0
   41    40    47    48   0.15000  1.0 3.0
   41    40    47    51   0.15000  1.0 3.0
   44    40    47    75   0.56750  1.0 1.0
   44    40    47    75  -0.07550 -1.0 2.0
   44    40    47    75   0.20000  1.0 3.0
   44    40    47    48   0.15000  1.0 3.0
   44    40    47    51   0.56750  1.0 1.0
   44    40    47    51  -0.07550 -1.0 2.0
   44    40    47    51   0.20000  1.0 3.0
   44    50    57    63   3.62500 -1.0 2.0
   44    50    57    64   3.62500 -1.0 2.0
   44    50    73    69   3.62500 -1.0 2.0
   44    50   -73    75   3.62500 -1.0 2.0
   45    44    50    57   0.00000  1.0 1.0
   45    44    50    73   0.00000  1.0 1.0
   46    44    50    57   0.00000  1.0 1.0
   46    44    50    73   0.00000  1.0 1.0
   50    57    63    66   3.00000 -1.0 2.0
   50    57    63    68   3.00000 -1.0 2.0
   50    57    64    87   3.62500 -1.0 2.0
   50    57    64    65   1.52500 -1.0 2.0
   50    73    75    76   0.00000  1.0 1.0
   50    73    75    77   0.00000  1.0 1.0
   50    73    75    47   0.00000  1.0 1.0
   57    50    73    69   3.62500 -1.0 2.0
   57    50    73    75   3.62500 -1.0 2.0
   57    63    66    67   3.50000 -1.0 2.0
   57    63   -66    69   3.50000 -1.0 2.0
   57    63    68    71   3.50000 -1.0 2.0
   57    63   -68    87   3.50000 -1.0 2.0
   63    57   -64    87   3.62500 -1.0 2.0
   63    57    64    65   1.52500 -1.0 2.0
   63    66    69    70   3.62500 -1.0 2.0
   63    66    69    73   3.62500 -1.0 2.0
   63    68    71    72   3.62500 -1.0 2.0
   63    68    71    74   3.62500 -1.0 2.0
   63    68    87    80   3.00000 -1.0 2.0
   63    68   -87    64   3.00000 -1.0 2.0
   66    63    68    71   3.62500 -1.0 2.0
   66    63    68    87   3.50000 -1.0 2.0
   66    69   -73    50   3.62500 -1.0 2.0
   66    69    73    75   3.62500 -1.0 2.0
   67    66    69    70   3.62500 -1.0 2.0
   67    66    69    73   3.62500 -1.0 2.0
   69    73    75    76   0.00000  1.0 1.0
   69    73    75    77   0.00000  1.0 1.0
   69    73    75    47   0.00000  1.0 1.0
   70    69    73    50   3.62500 -1.0 2.0
   70    69    73    75   3.62500 -1.0 2.0
   73    50   -57    63   3.62500 -1.0 2.0
   73    50    57    64   3.62500 -1.0 2.0
   73    75   -47    40   0.56750  1.0 1.0
   73    75   -47    40  -0.07550 -1.0 2.0
   73    75   -47    40   0.20000  1.0 3.0
   73    75    47    48   0.15000  1.0 3.0
   73    75    47    51   0.56750  1.0 1.0
   73    75    47    51  -0.07550 -1.0 2.0
   73    75    47    51   0.20000  1.0 3.0
   75    47    51    52   0.15000  1.0 3.0
   75    47    51    58   0.62750  1.0 1.0
   75    47    51    58  -0.30950 -1.0 2.0
   75    47    51    58   0.27300  1.0 3.0
   75    47    51    59   0.56750  1.0 1.0
   75    47    51    59  -0.07550 -1.0 2.0
   75    47    51    59   0.20000  1.0 3.0
   76    75    47    40   0.15000  1.0 3.0
   76    75    47    48   0.15000  1.0 3.0
   76    75    47    51   0.15000  1.0 3.0
   77    75    47    40   0.15000  1.0 3.0
   77    75    47    48   0.15000  1.0 3.0
   77    75    47    51   0.15000  1.0 3.0
   47    40    44    45   0.15000  1.0 3.0
   47    40    44    46   0.15000  1.0 3.0
   47    40   -44    50  -0.03700  1.0 1.0
   47    40   -44    50   0.37200 -1.0 2.0
   47    40   -44    50  -0.47300  1.0 3.0
   47    51   -58    33   0.06250  1.0 1.0
   47    51   -58    33  -0.01100 -1.0 2.0
   47    51   -58    33   0.28050  1.0 3.0
   47    51    59    60   0.15000  1.0 3.0
   47    51    59    61   0.15000  1.0 3.0
   47    51    59    62   0.15000  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    58   0.23400  1.0 3.0
   48    47    51    59   0.15000  1.0 3.0
   52    51    58    33   0.37050  1.0 3.0
   52    51    59    60   0.15000  1.0 3.0
   52    51    59    61   0.15000  1.0 3.0
   52    51    59    62   0.15000  1.0 3.0
   58    33    38    39   0.23400  1.0 3.0
   58    33   -38    40   0.62750  1.0 1.0
   58    33   -38    40  -0.30950 -1.0 2.0
   58    33   -38    40   0.27300  1.0 3.0
   58    33    38    42  -0.09450  1.0 1.0
   58    33    38    42  -1.12950 -1.0 2.0
   58    33    38    42   0.54000  1.0 3.0
   58    51    59    60   0.23400  1.0 3.0
   58    51    59    61   0.23400  1.0 3.0
   58    51    59    62   0.23400  1.0 3.0
   59    51    58    33   0.06250  1.0 1.0
   59    51    58    33  -0.01100 -1.0 2.0
   59    51    58    33   0.28050  1.0 3.0
   68    63    66    67   3.62500 -1.0 2.0
   68    63    66    69   3.62500 -1.0 2.0
   68    71    74    78   3.62500 -1.0 2.0
   68    71    74    79   3.62500 -1.0 2.0
   68    87   -64    57   3.62500 -1.0 2.0
   68    87    64    65   1.52500 -1.0 2.0
   71    68    87    80   3.00000 -1.0 2.0
   71    68    87    64   3.00000 -1.0 2.0
   71    74   -78    80   3.62500 -1.0 2.0
   71    74    78    82   3.62500 -1.0 2.0
   71    74    79    83   1.63200 -1.0 2.0
   72    71    74    78   3.62500 -1.0 2.0
   72    71    74    79   3.62500 -1.0 2.0
   74    78    80    81   3.62500 -1.0 2.0
   74    78    80    87   3.62500 -1.0 2.0
   74    78    82    88   1.63200 -1.0 2.0
   74    79    83    84   0.08050  1.0 3.0
   74    79    83    85   0.08050  1.0 3.0
   74    79    83    86   0.08050  1.0 3.0
   78    74    79    83   1.63200 -1.0 2.0
   78    80   -87    68   3.62500 -1.0 2.0
   78    80    87    64   3.62500 -1.0 2.0
   78    82    88    89   0.08050  1.0 3.0
   78    82    88    90   0.08050  1.0 3.0
   78    82    88    91   0.08050  1.0 3.0
   80    78    82    88   1.63200 -1.0 2.0
   80    87    64    57   3.62500 -1.0 2.0
   80    87    64    65   1.52500 -1.0 2.0
   81    80    87    68   3.62500 -1.0 2.0
   81    80    87    64   3.62500 -1.0 2.0
   87    68    71    72   3.50000 -1.0 2.0
   87    68   -71    74   3.50000 -1.0 2.0
   64    57    63    66   3.00000 -1.0 2.0
   64    57   -63    68   3.00000 -1.0 2.0
   82    78    80    81   3.62500 -1.0 2.0
   82    78    80    87   3.62500 -1.0 2.0
   79    74    78    80   3.62500 -1.0 2.0
   79    74    78    82   3.62500 -1.0 2.0
   42    38    40    41  -0.11250  1.0 3.0
   42    38    40    44  -0.95700  1.0 1.0
   42    38    40    44  -0.18200 -1.0 2.0
   42    38    40    44   0.29450  1.0 3.0
   42    38    40    47  -0.95700  1.0 1.0
   42    38    40    47  -0.18200 -1.0 2.0
   42    38    40    47   0.29450  1.0 3.0
   42    49    53    54   0.08050  1.0 3.0
   42    49    53    55   0.08050  1.0 3.0
   42    49    53    56   0.08050  1.0 3.0
   43    42    49    53   3.00000 -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
   36    30    35    37  10.50000 -1.0 2.0
   57    73    50    44   4.00000 -1.0 2.0
   63    64    57    50   4.00000 -1.0 2.0
   66    68    63    57   4.00000 -1.0 2.0
   69    67    66    63   1.10000 -1.0 2.0
   73    70    69    66   1.10000 -1.0 2.0
   69    75    73    50   4.00000 -1.0 2.0
   71    87    68    63   4.00000 -1.0 2.0
   74    72    71    68   1.10000 -1.0 2.0
   78    79    74    71   4.00000 -1.0 2.0
   80    82    78    74   4.00000 -1.0 2.0
   87    81    80    78   1.10000 -1.0 2.0
   80    64    87    68   4.00000 -1.0 2.0
   65    57    64    87   1.00000 -1.0 2.0
   38    49    42    43  10.50000 -1.0 2.0
END
