* LIGAND DATABASE FILE (OPLS2005)
*
001      95    97    173    256     489
    1     0 S   NP   _N1_     1    28.87617    94.21210   -21.61274
    2     1 S   H    _HN1     2     1.02950    86.94335    17.41202
    3     1 S   H    _H1_     3     1.02832    31.33620   148.22018
    4     1 S   H    _H2_     4     1.02781    92.66863   -90.83188
    5     1 S   CT   _CA1     5     1.50073   141.68805   137.17777
    6     5 S   HC   _HA1     6     1.09562   105.28662    65.44442
    7     5 S   CO3  _C1_     7     1.53748   112.36937   -55.03949
    8     7 S   O2Z  _O11     8     1.26376   115.01568   -44.60194
    9     7 S   O2Z  _O12     9     1.26192   114.92385   134.75487
   10     5 S   CT   _CB1    10     1.53055   107.48084  -176.39842
   11    10 S   HC   HB11    11     1.09831   109.54141   -48.98186
   12    10 S   HC   HB12    12     1.09821   110.35748    67.63040
   13    10 S   CT   _CG1    13     1.53011   112.61098  -169.93614
   14    13 S   HC   HG11    14     1.09570   110.66084   -62.23807
   15    13 S   HC   HG12    15     1.09648   109.88946    57.06192
   16    13 S   C    _CD1    16     1.51750   112.06520   177.64341
   17    16 S   O    _OE1    17     1.22739   123.22894     4.86635
   18    16 S   N    _N2_    18     1.38612   111.75225  -175.72942
   19    18 S   H    _HN2    19     1.01603   119.05622     2.63582
   20    18 S   CT1  _CA2    20     1.46271   123.20394  -179.65965
   21    20 S   HC   _HA2    21     1.09730   109.39664    -3.77543
   22    20 S   C    _C2_    22     1.53385   108.72115  -119.46255
   23    22 S   O    _O2_    23     1.23042   122.25764  -148.87403
   24    20 S   CT   _CB2    32     1.53378   111.29888   118.09409
   25    24 S   HC   HB21    33     1.09265   109.36070    59.88154
   26    24 S   HC   HB22    34     1.09530   110.42557   177.73739
   27    22 S   N    _N3_    24     1.38318   113.59083    38.57659
   28    27 S   H    _HN3    25     1.01622   119.52202    -3.53817
   29    24 S   S    _SG2    35     1.83077   110.98443   -63.36658
   30    27 S   CT   _CA3    26     1.45285   123.17330   177.06555
   31    30 S   HC   HA31    27     1.09550   107.52663   -64.09969
   32    30 S   HC   HA32    28     1.09557   107.95870    52.32490
   33    29 S   CT   _C5_    36     1.87100   102.54676   145.57986
   34    30 S   CO3  _C3_    29     1.52944   114.09862   174.31232
   35    34 S   O2Z  _O31    30     1.26372   116.05411    -0.51624
   36    34 S   O2Z  _O32    31     1.26427   114.41504   179.54243
   37    33 S   CT   _C6_    37     1.56377   106.68596   173.09658
   38    37 S   HC   _H9_    38     1.09686   108.64473  -162.21529
   39    37 S   HC   _H10    39     1.09730   110.60235   -47.41046
   40    33 S   CT   _C4_    92     1.54323   106.81631    57.72668
   41    40 S   HC   _H6_    93     1.09492   112.23774   -69.77519
   42    40 S   HC   _H7_    94     1.09622   111.27073   170.68325
   43    40 S   HC   _H8_    95     1.09667   111.73088    51.93442
   44    37 S   S    _S1_    40     1.84234   120.17747    78.14846
   45    44 S   C4T  _C7_    41     1.80676    99.18892    -2.09069
   46    45 S   HC   _H3_    42     1.09526   114.37682   -82.21143
   47    45 S   C4T  _C8_    43     1.55460   118.26225   142.30430
   48    47 S   HC   _H4_    44     1.09408   113.74726   123.97537
   49    45 S   N4   _N4_    47     1.45069   109.11679    45.75566
   50    47 S   C4   _C9_    45     1.56488    84.01608  -122.70381
   51    50 S   O    _O33    46     1.20750   137.93964  -169.63428
   52    33 S   CT1  _C10    48     1.55450   111.18995   -64.74826
   53    52 S   HC   _H5_    49     1.09393   113.94570    47.93696
   54    47 S   N    _N5_    72     1.47842   116.88064    -8.22084
   55    54 S   H    _H22    73     1.01736   118.99847    19.06404
   56    52 S   CO4  _C11    50     1.52824   111.16249   169.87628
   57    56 S   O    _O34    51     1.22419   125.16853    74.42936
   58    54 S   C    _C18    74     1.37856   122.87479  -158.64378
   59    58 S   O    _O38    75     1.22046   128.52632    -1.79951
   60    56 S   OS   _O35    52     1.36568   109.47058  -104.53652
   61    58 S   CD   _C19    76     1.50673   112.84143   177.09862
   62    60 S   CO   _C12    53     1.43538   115.67638  -179.43977
   63    62 S   HC   _H11    54     1.09607   109.57365   -55.72463
   64    62 S   HC   _H12    55     1.09598   108.39625  -172.03905
   65    61 S   C5B  _C21    77     1.45256   119.61799   -78.67818
   66    61 S   NI   _N6_    86     1.29800   121.77900   101.07282
   67    62 S   OS   _O36    56     1.43571   113.42629    65.39875
   68    65 S   C5A  _C22    78     1.38164   125.78263  -175.20797
   69    68 S   HA   _H26    79     1.08108   128.85926     0.48658
   70    66 S   OS   _O39    87     1.40190   111.31481    -0.47478
   71    67 S   CO4  _C13    57     1.36487   116.25260    72.62857
   72    71 S   O    _O37    58     1.22505   124.91859     0.10468
   73    68 S   SA   _S2_    80     1.71221   110.12175  -179.63738
   74    70 S   CT   _C20    88     1.41948   108.20938   179.51786
   75    74 S   HC   _H23    89     1.09316   108.47585  -179.97202
   76    74 S   HC   _H24    90     1.09443   110.33717    60.97993
   77    74 S   HC   _H25    91     1.09443   110.33883   -60.97591
   78    71 S   CT   _C14    59     1.53243   110.70506  -178.31031
   79    73 S   CRA  _C23    81     1.72206    89.92171     0.44893
   80    78 S   CT   _C15    60     1.53281   108.60634    74.62275
   81    80 S   HC   _H13    61     1.09551   111.33282  -178.66675
   82    80 S   HC   _H14    62     1.09479   111.44131   -58.15755
   83    80 S   HC   _H15    63     1.09541   111.00646    61.19059
   84    78 S   CT   _C16    64     1.53710   109.36214  -166.11370
   85    84 S   HC   _H16    65     1.09578   111.29516   179.77971
   86    84 S   HC   _H17    66     1.09621   111.12878    59.48417
   87    84 S   HC   _H18    67     1.09623   111.39563   -60.11851
   88    78 S   CT   _C17    68     1.53577   110.65154   -46.58505
   89    88 S   HC   _H19    69     1.09581   111.22192  -175.08969
   90    88 S   HC   _H20    70     1.09604   111.02489   -54.81359
   91    88 S   HC   _H21    71     1.09537   111.78473    65.00699
   92    65 S   N5B  _N7_    82     1.38642   119.86637     5.39539
   93    79 S   NE   _N8_    83     1.34597   120.64323   179.24489
   94    93 S   H    _H27    84     1.01569   120.96087  -178.46711
   95    93 S   H    _H28    85     1.01354   122.28643     0.15702
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  16   2   1   1  14   5   4   8   3   2   1   8  12   6  10   6
   8   7   2   5   3   6   3   6   2   7   3   5   9   6   3   2
   8   7   6   5   3   4  14   4   5   3   2   1   1  12   4  11
   4   3   2   7   3   2   1   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    49    52    53    56    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    50    49    52    53    56    57    60    40    41    42    43  
   35    36  
   36  
    0  
   38    39    44    45    46    47    49    52    53    56    40    41    42    43  
   39    44    45    52    40  
   44    45    52    40  
   41    42    43    44    49    52    53    56  
   42    43    52  
   43    52  
   52  
   45    46    47    48    50    49    52    54  
   46    47    48    50    51    49    52    53    56    54    55    58  
   47    48    50    49    52    54  
   48    50    51    49    52    54    55    58    59    61  
   50    51    49    54    55    58  
   52    53    56    57    60    54    50    51  
   51    52    53    56    54    55    58  
   52    54  
   53    56    57    60    62  
   56    57    60  
   55    58    59    61    65    66  
   58    59    61  
   57    60    62    63    64    67  
   60    62  
   59    61    65    68    92    66    70  
   61    65    66  
   62    63    64    67    71  
   65    68    69    73    79    92    66    70    74  
   63    64    67    71    72    78  
   64    67    71  
   67    71  
   68    69    73    79    92    93    66    70  
   70    74    75    76    77    68    92  
   71    72    78    80    84    88  
   69    73    79    92    93  
   73    79    92  
   74    75    76    77  
   72    78    80    81    82    83    84    85    86    87    88    89    90    91  
   78    80    84    88  
   79    92    93    94    95  
   75    76    77  
   76    77  
   77  
    0  
   80    81    82    83    84    85    86    87    88    89    90    91  
   92    93    94    95  
   81    82    83    84    85    86    87    88    89    90    91  
   82    83    84    88  
   83    84    88  
   84    88  
   85    86    87    88    89    90    91  
   86    87    88  
   87    88  
   88  
   89    90    91  
   90    91  
   91  
    0  
   93    94    95  
   94    95  
   95  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   45   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   50   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   52   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   55   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   60   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   61   3.7500   0.1050   0.389700   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5000   0.0660   0.142800   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   64   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
   66   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   67   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   70   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   71   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   74   3.5000   0.0660   0.042500   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   79   3.5500   0.0700   0.500900   2.0020   1.7750   0.001000000  -0.843144165
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   93   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   94   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   95   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    52   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   222.000  1.810
   44    45   200.000  1.824
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    49   305.000  1.456
   47    48   340.000  1.090
   47    50   250.000  1.540
   47    54   337.000  1.449
   50    51   930.000  1.212
   50    49   440.000  1.369
   49    52   337.000  1.449
   52    53   340.000  1.090
   52    56   255.000  1.522
   56    57   570.000  1.229
   56    60   214.000  1.327
   60    62   320.000  1.380
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   320.000  1.380
   67    71   214.000  1.327
   71    72   570.000  1.229
   71    78   317.000  1.522
   78    80   268.000  1.529
   78    84   268.000  1.529
   78    88   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   54    55   434.000  1.010
   54    58   490.000  1.335
   58    59   570.000  1.229
   58    61   270.000  1.486
   61    65   305.000  1.466
   61    66   500.000  1.261
   65    68   520.000  1.370
   65    92   410.000  1.394
   68    69   367.000  1.080
   68    73   265.000  1.745
   73    79   250.000  1.765
   79    92   488.000  1.335
   79    93   420.000  1.385
   93    94   434.000  1.010
   93    95   434.000  1.010
   66    70   320.000  1.394
   70    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    52    75.00000  108.68000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    75.00000  111.63000
   33    52    49    80.00000  109.70000
   33    52    53    37.50000  110.70000
   33    52    56    70.00000  110.61500
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    45    85.00000   99.86700
   39    37    38    33.00000  107.80000
   44    37    38    35.00000  109.50000
   44    37    39    35.00000  109.50000
   44    45    46    45.00000  109.41400
   44    45    47    65.00000  119.05700
   44    45    49    80.00000  108.62000
   45    47    48    37.50000  110.70000
   45    47    50   100.00000   86.36000
   45    47    54    80.00000  110.05700
   45    49    50   100.00000   93.00000
   45    49    52    50.00000  132.70000
   47    45    46    37.50000  110.70000
   47    50    51    60.00000  136.58000
   47    50    49    95.00000   92.72400
   47    54    55    38.00000  118.40000
   47    54    58    50.00000  121.90000
   50    47    48    40.00000  113.37500
   50    49    52    50.00000  132.10000
   49    45    46    50.00000  112.01000
   49    45    47   105.00000   87.49700
   49    50    51    75.00000  131.60000
   49    52    53    35.00000  109.50000
   49    52    56    80.00000  110.29000
   52    33    37    58.35000  112.70000
   52    56    57    75.00000  123.42600
   52    56    60    90.00000  109.72300
   56    52    53    45.00000  110.09800
   56    60    62    95.00000  111.08000
   60    56    57    83.00000  123.40000
   60    62    63    35.00000  109.50000
   60    62    64    35.00000  109.50000
   60    62    67    92.60000  111.55000
   62    67    71    95.00000  111.08000
   64    62    63    33.00000  109.50000
   67    62    63    35.00000  109.50000
   67    62    64    35.00000  109.50000
   67    71    72    83.00000  123.40000
   67    71    78    81.00000  111.40000
   71    78    80    63.00000  111.10000
   71    78    84    63.00000  111.10000
   71    78    88    63.00000  111.10000
   78    71    72    80.00000  120.40000
   78    80    81    37.50000  110.70000
   78    80    82    37.50000  110.70000
   78    80    83    37.50000  110.70000
   78    84    85    37.50000  110.70000
   78    84    86    37.50000  110.70000
   78    84    87    37.50000  110.70000
   78    88    89    37.50000  110.70000
   78    88    90    37.50000  110.70000
   78    88    91    37.50000  110.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   84    78    80    58.35000  112.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   88    78    80    58.35000  112.70000
   88    78    84    58.35000  112.70000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   54    47    48    50.00000  112.01000
   54    47    50    75.00000  110.24000
   54    58    59    80.00000  122.90000
   54    58    61    75.00000  109.57000
   58    54    55    35.00000  119.80000
   58    61    65    75.00000  114.44000
   58    61    66    65.00000  123.79500
   61    58    59    80.00000  120.45000
   61    65    68    60.00000  121.09900
   61    65    92    60.00000  126.00000
   61    66    70   100.00000  109.52600
   65    68    69    35.00000  130.70000
   65    68    73    80.00000  111.29200
   65    92    79    70.00000  110.00000
   68    73    79   120.00000   89.04400
   73    68    69    40.00000  122.38200
   73    79    92    80.00000  114.57700
   73    79    93    70.00000  122.29500
   79    93    94    35.00000  113.50000
   79    93    95    35.00000  113.50000
   92    65    68    70.00000  111.00000
   93    79    92    75.00000  125.31200
   95    93    94    35.00000  109.00000
   66    61    65    65.00000  124.33800
   66    70    74   110.00000  106.71400
   70    74    75    35.00000  109.50000
   70    74    76    35.00000  109.50000
   70    74    77    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    52    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    44   0.56750  1.0 1.0
   29    33    37    44  -0.07550 -1.0 2.0
   29    33    37    44   0.20000  1.0 3.0
   29    33    52    49   0.71400  1.0 1.0
   29    33    52    49   0.04300 -1.0 2.0
   29    33    52    49   0.01450  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    56  -2.17200  1.0 1.0
   29    33    52    56  -0.85700 -1.0 2.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    37    44    45  -0.25000 -1.0 2.0
   33    37    44    45  -0.01800  1.0 3.0
   33    52    56    57   0.00000  1.0 1.0
   33    52    56    60   0.36750  1.0 3.0
   37    33    52    49   0.42250  1.0 1.0
   37    33    52    49  -0.48100 -1.0 2.0
   37    33    52    49   0.35650  1.0 3.0
   37    33    52    53   0.15000  1.0 3.0
   37    33    52    56  -0.84850  1.0 1.0
   37    33    52    56  -0.22800 -1.0 2.0
   37    33    52    56   0.29250  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    43   0.15000  1.0 3.0
   37    44    45    46   0.00000  1.0 1.0
   37    44    45    47   0.25150  1.0 1.0
   37    44    45    47  -1.17200 -1.0 2.0
   37    44    45    47   0.53050  1.0 3.0
   37    44   -45    49   0.01700  1.0 1.0
   37    44   -45    49  -0.23550 -1.0 2.0
   37    44   -45    49   0.21350  1.0 3.0
   38    37    44    45   0.32350  1.0 3.0
   39    37    44    45   0.32350  1.0 3.0
   44    45    47    48   0.00000  1.0 1.0
   44    45    47    50   0.00000  1.0 1.0
   44    45    47    54   0.00000  1.0 1.0
   44    45   -49    50   0.00000  1.0 1.0
   44    45    49    52   0.00000  1.0 1.0
   45    47    50    51  -0.11250  1.0 1.0
   45    47    50    51   0.11400 -1.0 2.0
   45    47    50    51  -0.28950  1.0 3.0
   45    47   -50    49   3.00000 -1.0 2.0
   45    47    54    55   0.00000  1.0 1.0
   45    47    54    58  -0.43950  1.0 1.0
   45    47    54    58  -0.08100 -1.0 2.0
   45    47    54    58   0.03350  1.0 3.0
   45    49   -52    33   0.00000  1.0 1.0
   45    49    52    53   0.00000  1.0 1.0
   45    49    52    56   0.00000  1.0 1.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    50   0.15000  1.0 3.0
   46    45    47    54   0.15000  1.0 3.0
   46    45   -49    50   0.00000  1.0 1.0
   46    45    49    52   0.00000  1.0 1.0
   47    45   -49    50   0.00000  1.0 1.0
   47    45    49    52   0.00000  1.0 1.0
   47    50   -49    45   3.00000 -1.0 2.0
   47    50   -49    52   3.00000 -1.0 2.0
   47    54    58    59   3.04450 -1.0 2.0
   47    54    58    61   1.49850  1.0 1.0
   47    54    58    61   1.53950 -1.0 2.0
   48    47    50    51   0.00000  1.0 1.0
   48    47    50    49   0.00000  1.0 1.0
   48    47    54    55   0.00000  1.0 1.0
   48    47    54    58   0.00000  1.0 1.0
   50    47    54    55   0.00000  1.0 1.0
   50    47    54    58  -0.42300  1.0 1.0
   50    47    54    58  -0.07000 -1.0 2.0
   50    47    54    58   0.04150  1.0 3.0
   50    49    52    33   0.00000  1.0 1.0
   50    49    52    53   0.00000  1.0 1.0
   50    49    52    56   0.00000  1.0 1.0
   51    50   -49    45   3.00000 -1.0 2.0
   51    50    49    52   3.00000 -1.0 2.0
   49    45   -47    48   0.15000  1.0 3.0
   49    45   -47    50   3.00000 -1.0 2.0
   49    45    47    54   2.20050  1.0 1.0
   49    45    47    54   0.63450 -1.0 2.0
   49    45    47    54  -0.91300  1.0 3.0
   49    52    56    57   0.00000  1.0 1.0
   49    52    56    60   0.40000  1.0 3.0
   52    33    37    38   0.15000  1.0 3.0
   52    33    37    39   0.15000  1.0 3.0
   52    33   -37    44   0.44750  1.0 1.0
   52    33   -37    44  -0.17800 -1.0 2.0
   52    33   -37    44   0.20200  1.0 3.0
   52    33    40    41   0.15000  1.0 3.0
   52    33    40    42   0.15000  1.0 3.0
   52    33    40    43   0.15000  1.0 3.0
   52    56    60    62   1.63150  1.0 1.0
   52    56    60    62   2.92000 -1.0 2.0
   53    52    56    57   0.00000  1.0 1.0
   53    52    56    60   0.00000  1.0 1.0
   56    60    62    63   0.08050  1.0 3.0
   56    60    62    64   0.08050  1.0 3.0
   56    60    62    67  -1.83450  1.0 1.0
   56    60    62    67  -0.02700 -1.0 2.0
   56    60    62    67  -0.20100  1.0 3.0
   57    56    60    62   3.00000 -1.0 2.0
   60    62    67    71  -1.83450  1.0 1.0
   60    62    67    71  -0.02700 -1.0 2.0
   60    62    67    71  -0.20100  1.0 3.0
   62    67    71    72   3.00000 -1.0 2.0
   62    67    71    78   1.63150  1.0 1.0
   62    67    71    78   2.92000 -1.0 2.0
   63    62    67    71   0.08050  1.0 3.0
   64    62    67    71   0.08050  1.0 3.0
   67    71    78    80   0.36750  1.0 3.0
   67    71    78    84   0.36750  1.0 3.0
   67    71    78    88   0.36750  1.0 3.0
   71    78    80    81  -0.11250  1.0 3.0
   71    78    80    82  -0.11250  1.0 3.0
   71    78    80    83  -0.11250  1.0 3.0
   71    78    84    85  -0.11250  1.0 3.0
   71    78    84    86  -0.11250  1.0 3.0
   71    78    84    87  -0.11250  1.0 3.0
   71    78    88    89  -0.11250  1.0 3.0
   71    78    88    90  -0.11250  1.0 3.0
   71    78    88    91  -0.11250  1.0 3.0
   72    71    78    80   0.30150 -1.0 2.0
   72    71    78    84   0.30150 -1.0 2.0
   72    71    78    88   0.30150 -1.0 2.0
   80    78    84    85   0.15000  1.0 3.0
   80    78    84    86   0.15000  1.0 3.0
   80    78    84    87   0.15000  1.0 3.0
   80    78    88    89   0.15000  1.0 3.0
   80    78    88    90   0.15000  1.0 3.0
   80    78    88    91   0.15000  1.0 3.0
   84    78    80    81   0.15000  1.0 3.0
   84    78    80    82   0.15000  1.0 3.0
   84    78    80    83   0.15000  1.0 3.0
   84    78    88    89   0.15000  1.0 3.0
   84    78    88    90   0.15000  1.0 3.0
   84    78    88    91   0.15000  1.0 3.0
   88    78    80    81   0.15000  1.0 3.0
   88    78    80    82   0.15000  1.0 3.0
   88    78    80    83   0.15000  1.0 3.0
   88    78    84    85   0.15000  1.0 3.0
   88    78    84    86   0.15000  1.0 3.0
   88    78    84    87   0.15000  1.0 3.0
   54    47    50    51   0.30150 -1.0 2.0
   54    47   -50    49   0.00000  1.0 1.0
   54    58    61    65   1.50000 -1.0 2.0
   54    58    61    66   1.50000 -1.0 2.0
   55    54    58    59   2.45000 -1.0 2.0
   55    54    58    61   2.56700 -1.0 2.0
   58    61    65    68   0.30050 -1.0 2.0
   58    61    65    68   0.16600  1.0 3.0
   58    61    65    92   0.30050 -1.0 2.0
   58    61    65    92   0.16600  1.0 3.0
   58    61    66    70   6.00000 -1.0 2.0
   59    58    61    65   1.00000 -1.0 2.0
   59    58    61    66   1.00000 -1.0 2.0
   61    65    68    69   3.62500 -1.0 2.0
   61    65    68    73   3.62500 -1.0 2.0
   61    65    92    79   3.62500 -1.0 2.0
   61    66    70    74   1.50000 -1.0 2.0
   65    61    66    70   6.00000 -1.0 2.0
   65    68   -73    79   3.62500 -1.0 2.0
   68    65   -92    79   2.40000 -1.0 2.0
   68    73   -79    92   3.62500 -1.0 2.0
   68    73    79    93   3.62500 -1.0 2.0
   69    68    73    79   3.62500 -1.0 2.0
   73    79   -92    65   3.62500 -1.0 2.0
   73    79    93    94   0.47600 -1.0 2.0
   73    79    93    95   0.47600 -1.0 2.0
   92    65    68    69   3.62500 -1.0 2.0
   92    65   -68    73   3.62500 -1.0 2.0
   92    79    93    94   1.75000 -1.0 2.0
   92    79    93    95   1.75000 -1.0 2.0
   93    79    92    65   3.62500 -1.0 2.0
   66    61    65    68   1.02250 -1.0 2.0
   66    61    65    92   1.02250 -1.0 2.0
   66    70    74    75   0.37500  1.0 3.0
   66    70    74    76   0.37500  1.0 3.0
   66    70    74    77   0.37500  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    44   0.44750  1.0 1.0
   40    33    37    44  -0.17800 -1.0 2.0
   40    33    37    44   0.20200  1.0 3.0
   40    33    52    49   0.42250  1.0 1.0
   40    33    52    49  -0.48100 -1.0 2.0
   40    33    52    49   0.35650  1.0 3.0
   40    33    52    53   0.15000  1.0 3.0
   40    33    52    56  -0.84850  1.0 1.0
   40    33    52    56  -0.22800 -1.0 2.0
   40    33    52    56   0.29250  1.0 3.0
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
   47    49    50    51  10.50000 -1.0 2.0
   52    50    49    45   1.00000 -1.0 2.0
   52    60    56    57  10.50000 -1.0 2.0
   67    78    71    72  10.50000 -1.0 2.0
   55    58    54    47   1.00000 -1.0 2.0
   54    61    58    59  10.50000 -1.0 2.0
   58    65    61    66  10.50000 -1.0 2.0
   68    92    65    61   4.00000 -1.0 2.0
   73    69    68    65   1.10000 -1.0 2.0
   92    93    79    73   4.00000 -1.0 2.0
   95    79    93    94   1.00000 -1.0 2.0
END
