* LIGAND DATABASE FILE (OPLS2005)
*
001      81    83    157    245     465
    1     0 S   NP   _N1_     1    28.92405    94.94404   -23.67953
    2     1 S   H    _HN1     2     1.02962    80.47447    22.19632
    3     1 S   H    _H1_     3     1.02835    28.92839   178.79018
    4     1 S   H    _H2_     4     1.02780   106.65960   -84.22123
    5     1 S   CT   _CA1     5     1.50124   132.73544   131.22566
    6     5 S   HC   _HA1     6     1.09577   105.22583    81.57731
    7     5 S   CO3  _C1_     7     1.53778   112.40207   -38.60911
    8     7 S   O2Z  _O11     8     1.26357   115.00307   -43.65799
    9     7 S   O2Z  _O12     9     1.26241   114.91757   135.52180
   10     5 S   CT   _CB1    10     1.53095   107.42559  -160.53933
   11    10 S   HC   HB11    11     1.09825   109.28307   -51.03916
   12    10 S   HC   HB12    12     1.09821   110.42976    65.48773
   13    10 S   CT   _CG1    13     1.53020   112.70738  -172.16403
   14    13 S   HC   HG11    14     1.09595   110.43435   -64.38566
   15    13 S   HC   HG12    15     1.09653   109.99228    54.84809
   16    13 S   C    _CD1    16     1.51810   112.30668   175.15002
   17    16 S   O    _OE1    17     1.22723   123.24902    -2.20966
   18    16 S   N    _N2_    18     1.38645   111.67897   178.07055
   19    18 S   H    _HN2    19     1.01589   119.02468     1.23749
   20    18 S   CT1  _CA2    20     1.46082   123.36539   179.56614
   21    20 S   HC   _HA2    21     1.09598   109.33702    -5.74597
   22    20 S   C    _C2_    22     1.53469   108.76808  -120.90752
   23    22 S   O    _O2_    23     1.23038   122.10466  -147.06192
   24    20 S   CT   _CB2    32     1.53335   111.62620   116.65896
   25    24 S   HC   HB21    33     1.09650   109.71996    59.91365
   26    24 S   HC   HB22    34     1.09573   110.94913   177.34156
   27    22 S   N    _N3_    24     1.38466   113.53455    40.53278
   28    27 S   H    _HN3    25     1.01501   118.98418    -0.73807
   29    24 S   S    _SG2    35     1.82900   114.60972   -60.13515
   30    27 S   CT   _CA3    26     1.45445   123.40618   174.69666
   31    30 S   HC   HA31    27     1.09525   109.20359    25.41820
   32    30 S   HC   HA32    28     1.09494   107.14405   142.44554
   33    29 S   CT   _C20    36     1.83678    99.71653   -65.46688
   34    33 S   HC   _H3_    37     1.08927   106.84542   -44.11501
   35    33 S   HC   _H4_    38     1.09345   106.02283    71.64589
   36    30 S   CO3  _C3_    29     1.52936   113.09233   -98.00960
   37    36 S   O2Z  _O31    30     1.26404   115.41027   -44.11122
   38    36 S   O2Z  _O32    31     1.26355   114.97711   136.79031
   39    33 S   CT   _C15    39     1.55543   113.16246  -168.88291
   40    39 S   CT   _C11    40     1.53409   114.03448    61.75403
   41    40 S   HC   _H31    41     1.09275   113.43537   -49.08253
   42    39 S   OH   _O20    80     1.41959   105.44213   -60.64633
   43    42 S   HO   _H47    81     0.97321   107.66376    63.43085
   44    40 S   CT   _C9_    42     1.53186   103.76367    71.99007
   45    44 S   HC   _H28    43     1.09469   111.68920   151.72757
   46    44 S   HC   _H29    44     1.09579   110.48352   -88.19555
   47    40 S   OS   _O19    60     1.43454   110.23758  -167.33123
   48    44 S   CT   _C12    45     1.54827   104.71577    31.32212
   49    48 S   HC   _H32    46     1.09000   110.05343   122.31006
   50    39 S   CT   _C14    47     1.57999   114.98762   174.23887
   51    48 S   OS   _O21    73     1.44226   110.21381  -119.53508
   52    50 S   CT   _C13    48     1.61843   111.46350   172.25985
   53    50 S   CT   _C19    69     1.53814   112.14319    46.91458
   54    53 S   HC   _H42    70     1.09410   111.41814    62.53303
   55    53 S   HC   _H43    71     1.09445   112.46976   -57.10030
   56    53 S   HC   _H44    72     1.09371   111.61082  -176.17905
   57    51 S   CO4  _C6_    74     1.36281   117.29544   -77.10499
   58    57 S   O    _O18    75     1.22302   126.36225     0.02798
   59    52 S   CT   _C8_    49     1.56357   113.96709   -68.23311
   60    59 S   HC   _H26    50     1.08885   111.77572    56.76495
   61    59 S   HC   _H27    51     1.09608   110.77766   -61.56016
   62    52 S   CT   _C18    65     1.56441   110.96484   173.12120
   63    62 S   HC   _H39    66     1.09079   113.53047   -53.02796
   64    62 S   HC   _H40    67     1.09492   112.15153  -171.97840
   65    62 S   HC   _H41    68     1.09495   111.32261    68.43684
   66    57 S   CT   _C17    76     1.49828   109.42825   179.76510
   67    66 S   HC   _H36    77     1.09300   109.79740   -60.97001
   68    66 S   HC   _H37    78     1.09374   109.37053   179.96044
   69    66 S   HC   _H38    79     1.09291   109.82495    60.89691
   70    59 S   CT   _C7_    52     1.53626   114.00257   175.96444
   71    70 S   HC   _H24    53     1.09739   107.95371  -165.26807
   72    70 S   HC   _H25    54     1.09632   110.32205    78.92567
   73    70 S   CM   _C5_    55     1.50425   113.22026   -43.86304
   74    73 S   CM   _C4_    56     1.34340   121.92803    14.82542
   75    74 S   HC   _H23    57     1.08783   119.34003  -178.97092
   76    73 S   CT   _C16    61     1.50030   116.13165  -165.25900
   77    76 S   HC   _H33    62     1.09482   110.22423   -58.95197
   78    76 S   HC   _H34    63     1.09505   112.18645  -178.97703
   79    76 S   HC   _H35    64     1.09478   110.32104    60.90820
   80    52 S   CT   _C10    58     1.56136   108.71562    53.54010
   81    80 S   HC   _H30    59     1.09739   109.01862    80.24957
  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   7   5   4   3
  13   5   4   2   1   1  20  16   8   7   1  11   6   5  10  14
   5  18   8  19   6   2   1   1   5   4  14   7   6   7   3   2
   1   3   2   1   1  10   4   3   8   7   3   4   2   1   1   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    50    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    48    50    52    47    53    42    43  
   35    39    40    50    42  
   39    40    50    42  
   37    38  
   38  
    0  
   40    41    44    45    46    48    49    50    52    59    80    47    62    53    54    55    56    51    42    43  
   41    44    45    46    48    49    50    52    74    80    81    47    53    51    42    43  
   44    45    46    48    50    80    47    42  
   43    44    47    48    50    52    53  
   50  
   45    46    48    49    50    52    80    47    53    51    57  
   46    48    49    50    47    51  
   48    49    50    47    51  
   62    48    50    52    59    73    74    75    80    81  
   49    50    52    59    80    62    53    54    55    56    51    57    58    66  
   50    52    53    51    57  
   52    59    60    61    70    74    80    81    62    63    64    65    53    54    55    56    51    57  
   57    58    66    67    68    69    52    53  
   59    60    61    70    71    72    73    74    75    80    81    62    63    64    65    53    54    55    56  
   54    55    56    59    62    80  
   55    56  
   56  
    0  
   58    66    67    68    69  
   66    67    68    69  
   60    61    70    71    72    73    74    80    81    76    62    63    64    65  
   61    70    71    72    73    80    62  
   70    71    72    73    80    62  
   63    64    65    70    74    80    81  
   64    65    80  
   65    80  
   80  
   67    68    69  
   68    69  
   69  
    0  
   71    72    73    74    75    80    76    77    78    79  
   72    73    74    76  
   73    74    76  
   74    75    80    81    76    77    78    79  
   75    80    81    76    77    78    79  
   80    81    76  
   77    78    79    80  
   78    79  
   79  
    0  
   81  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660  -0.120000   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   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   81   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   268.000  1.529
   39    50   268.000  1.529
   39    42   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    47   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    48   268.000  1.529
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    51   320.000  1.410
   50    52   268.000  1.529
   50    53   268.000  1.529
   52    59   268.000  1.529
   52    80   268.000  1.529
   52    62   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   317.000  1.510
   73    74   549.000  1.340
   73    76   317.000  1.510
   74    75   340.000  1.080
   74    80   317.000  1.510
   80    81   340.000  1.090
   80    47   320.000  1.410
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   51    57   214.000  1.327
   57    58   570.000  1.229
   57    66   317.000  1.522
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   42    43   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    58.35000  112.70000
   33    39    50    58.35000  112.70000
   33    39    42    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    40    41    37.50000  110.70000
   39    40    44    58.35000  112.70000
   39    40    47    50.00000  109.50000
   39    50    48    58.35000  112.70000
   39    50    52    58.35000  112.70000
   39    50    53    58.35000  112.70000
   39    42    43    55.00000  108.50000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    48    58.35000  112.70000
   40    47    80    60.00000  109.50000
   44    40    41    37.50000  110.70000
   44    48    49    37.50000  110.70000
   44    48    50    58.35000  112.70000
   44    48    51    50.00000  109.50000
   46    44    45    33.00000  107.80000
   48    44    45    37.50000  110.70000
   48    44    46    37.50000  110.70000
   48    50    52    58.35000  112.70000
   48    50    53    58.35000  112.70000
   48    51    57    83.00000  116.90000
   50    39    40    58.35000  112.70000
   50    48    49    37.50000  110.70000
   50    52    59    58.35000  112.70000
   50    52    80    58.35000  112.70000
   50    52    62    58.35000  112.70000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    37.50000  110.70000
   52    59    60    37.50000  110.70000
   52    59    61    37.50000  110.70000
   52    59    70    58.35000  112.70000
   52    80    74    70.00000  112.02700
   52    80    81    37.50000  110.70000
   52    80    47    50.00000  109.50000
   52    62    63    37.50000  110.70000
   52    62    64    37.50000  110.70000
   52    62    65    37.50000  110.70000
   59    70    71    37.50000  110.70000
   59    70    72    37.50000  110.70000
   59    70    73    70.00000  112.02700
   61    59    60    33.00000  107.80000
   70    59    60    37.50000  110.70000
   70    59    61    37.50000  110.70000
   70    73    74    70.00000  124.00000
   70    73    76    65.00000  117.92700
   72    70    71    33.00000  107.80000
   73    70    71    35.00000  109.50000
   73    70    72    35.00000  109.50000
   73    74    75    35.00000  120.00000
   73    74    80    70.00000  124.00000
   73    76    77    35.00000  109.50000
   73    76    78    35.00000  109.50000
   73    76    79    35.00000  109.50000
   74    80    81    35.00000  109.50000
   74    80    47    85.00000  110.90400
   80    52    59    58.35000  112.70000
   80    74    75    35.00000  117.00000
   47    40    41    35.00000  109.50000
   47    40    44    50.00000  109.50000
   47    80    81    35.00000  109.50000
   76    73    74    70.00000  124.00000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   62    52    59    58.35000  112.70000
   62    52    80    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   53    50    52    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   51    48    49    35.00000  109.50000
   51    48    50    50.00000  109.50000
   51    57    58    83.00000  123.40000
   51    57    66    81.00000  111.40000
   57    66    67    35.00000  109.50000
   57    66    68    35.00000  109.50000
   57    66    69    35.00000  109.50000
   66    57    58    80.00000  120.40000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   42    39    40    50.00000  109.50000
   42    39    50    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.44750  1.0 1.0
   29    33    39    40  -0.17800 -1.0 2.0
   29    33    39    40   0.20200  1.0 3.0
   29    33    39    50   0.44750  1.0 1.0
   29    33    39    50  -0.17800 -1.0 2.0
   29    33    39    50   0.20200  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    40    41   0.15000  1.0 3.0
   33    39    40    44   0.56750  1.0 1.0
   33    39    40    44  -0.07550 -1.0 2.0
   33    39    40    44   0.20000  1.0 3.0
   33    39    40    47   0.62750  1.0 1.0
   33    39    40    47  -0.30950 -1.0 2.0
   33    39    40    47   0.27300  1.0 3.0
   33    39    50    48   0.56750  1.0 1.0
   33    39    50    48  -0.07550 -1.0 2.0
   33    39    50    48   0.20000  1.0 3.0
   33    39    50    52   0.56750  1.0 1.0
   33    39    50    52  -0.07550 -1.0 2.0
   33    39    50    52   0.20000  1.0 3.0
   33    39    50    53   0.56750  1.0 1.0
   33    39    50    53  -0.07550 -1.0 2.0
   33    39    50    53   0.20000  1.0 3.0
   33    39    42    43  -0.11600  1.0 1.0
   33    39    42    43  -0.09450 -1.0 2.0
   33    39    42    43   0.21250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    50   0.15000  1.0 3.0
   34    33    39    42   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    50   0.15000  1.0 3.0
   35    33    39    42   0.23400  1.0 3.0
   39    40    44    45   0.15000  1.0 3.0
   39    40    44    46   0.15000  1.0 3.0
   39    40   -44    48   0.56750  1.0 1.0
   39    40   -44    48  -0.07550 -1.0 2.0
   39    40   -44    48   0.20000  1.0 3.0
   39    40    47    80   0.06250  1.0 1.0
   39    40    47    80  -0.01100 -1.0 2.0
   39    40    47    80   0.28050  1.0 3.0
   39    50    52    59   0.56750  1.0 1.0
   39    50    52    59  -0.07550 -1.0 2.0
   39    50    52    59   0.20000  1.0 3.0
   39    50   -52    80   0.56750  1.0 1.0
   39    50   -52    80  -0.07550 -1.0 2.0
   39    50   -52    80   0.20000  1.0 3.0
   39    50    52    62   0.56750  1.0 1.0
   39    50    52    62  -0.07550 -1.0 2.0
   39    50    52    62   0.20000  1.0 3.0
   39    50    53    54   0.15000  1.0 3.0
   39    50    53    55   0.15000  1.0 3.0
   39    50    53    56   0.15000  1.0 3.0
   40    39   -50    48   0.56750  1.0 1.0
   40    39   -50    48  -0.07550 -1.0 2.0
   40    39   -50    48   0.20000  1.0 3.0
   40    39    50    52   0.56750  1.0 1.0
   40    39    50    52  -0.07550 -1.0 2.0
   40    39    50    52   0.20000  1.0 3.0
   40    39    50    53   0.56750  1.0 1.0
   40    39    50    53  -0.07550 -1.0 2.0
   40    39    50    53   0.20000  1.0 3.0
   40    39    42    43  -0.11600  1.0 1.0
   40    39    42    43  -0.09450 -1.0 2.0
   40    39    42    43   0.21250  1.0 3.0
   40    44    48    49   0.15000  1.0 3.0
   40    44   -48    50   0.56750  1.0 1.0
   40    44   -48    50  -0.07550 -1.0 2.0
   40    44   -48    50   0.20000  1.0 3.0
   40    44    48    51   0.62750  1.0 1.0
   40    44    48    51  -0.30950 -1.0 2.0
   40    44    48    51   0.27300  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    48   0.15000  1.0 3.0
   41    40    47    80   0.37050  1.0 3.0
   44    40    47    80   0.06250  1.0 1.0
   44    40    47    80  -0.01100 -1.0 2.0
   44    40    47    80   0.28050  1.0 3.0
   44    48   -50    39   0.56750  1.0 1.0
   44    48   -50    39  -0.07550 -1.0 2.0
   44    48   -50    39   0.20000  1.0 3.0
   44    48    50    52   0.56750  1.0 1.0
   44    48    50    52  -0.07550 -1.0 2.0
   44    48    50    52   0.20000  1.0 3.0
   44    48    50    53   0.56750  1.0 1.0
   44    48    50    53  -0.07550 -1.0 2.0
   44    48    50    53   0.20000  1.0 3.0
   44    48    51    57  -0.25900  1.0 1.0
   44    48    51    57  -0.47000 -1.0 2.0
   44    48    51    57   0.11750  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    50   0.15000  1.0 3.0
   45    44    48    51   0.23400  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    44    48    50   0.15000  1.0 3.0
   46    44    48    51   0.23400  1.0 3.0
   48    50    52    59   0.56750  1.0 1.0
   48    50    52    59  -0.07550 -1.0 2.0
   48    50    52    59   0.20000  1.0 3.0
   48    50    52    80   0.56750  1.0 1.0
   48    50    52    80  -0.07550 -1.0 2.0
   48    50    52    80   0.20000  1.0 3.0
   48    50    52    62   0.56750  1.0 1.0
   48    50    52    62  -0.07550 -1.0 2.0
   48    50    52    62   0.20000  1.0 3.0
   48    50    53    54   0.15000  1.0 3.0
   48    50    53    55   0.15000  1.0 3.0
   48    50    53    56   0.15000  1.0 3.0
   48    51    57    58   3.00000 -1.0 2.0
   48    51    57    66   1.63150  1.0 1.0
   48    51    57    66   2.92000 -1.0 2.0
   49    48    50    39   0.15000  1.0 3.0
   49    48    50    52   0.15000  1.0 3.0
   49    48    50    53   0.15000  1.0 3.0
   49    48    51    57   0.08050  1.0 3.0
   50    39    40    41   0.15000  1.0 3.0
   50    39   -40    44   0.56750  1.0 1.0
   50    39   -40    44  -0.07550 -1.0 2.0
   50    39   -40    44   0.20000  1.0 3.0
   50    39    40    47   0.62750  1.0 1.0
   50    39    40    47  -0.30950 -1.0 2.0
   50    39    40    47   0.27300  1.0 3.0
   50    39    42    43  -0.11600  1.0 1.0
   50    39    42    43  -0.09450 -1.0 2.0
   50    39    42    43   0.21250  1.0 3.0
   50    48    51    57  -0.25900  1.0 1.0
   50    48    51    57  -0.47000 -1.0 2.0
   50    48    51    57   0.11750  1.0 3.0
   50    52    59    60   0.15000  1.0 3.0
   50    52    59    61   0.15000  1.0 3.0
   50    52    59    70   0.56750  1.0 1.0
   50    52    59    70  -0.07550 -1.0 2.0
   50    52    59    70   0.20000  1.0 3.0
   50    52    80    74   0.34400  1.0 1.0
   50    52    80    74   0.09450 -1.0 2.0
   50    52    80    74   0.11100  1.0 3.0
   50    52    80    81   0.15000  1.0 3.0
   50    52   -80    47   0.62750  1.0 1.0
   50    52   -80    47  -0.30950 -1.0 2.0
   50    52   -80    47   0.27300  1.0 3.0
   50    52    62    63   0.15000  1.0 3.0
   50    52    62    64   0.15000  1.0 3.0
   50    52    62    65   0.15000  1.0 3.0
   52    50    53    54   0.15000  1.0 3.0
   52    50    53    55   0.15000  1.0 3.0
   52    50    53    56   0.15000  1.0 3.0
   52    59    70    71   0.15000  1.0 3.0
   52    59    70    72   0.15000  1.0 3.0
   52    59    70    73   0.34400  1.0 1.0
   52    59    70    73   0.09450 -1.0 2.0
   52    59    70    73   0.11100  1.0 3.0
   52    80   -47    40   0.06250  1.0 1.0
   52    80   -47    40  -0.01100 -1.0 2.0
   52    80   -47    40   0.28050  1.0 3.0
   59    52    80    74   0.34400  1.0 1.0
   59    52    80    74   0.09450 -1.0 2.0
   59    52    80    74   0.11100  1.0 3.0
   59    52    80    81   0.15000  1.0 3.0
   59    52    80    47   0.62750  1.0 1.0
   59    52    80    47  -0.30950 -1.0 2.0
   59    52    80    47   0.27300  1.0 3.0
   59    52    62    63   0.15000  1.0 3.0
   59    52    62    64   0.15000  1.0 3.0
   59    52    62    65   0.15000  1.0 3.0
   59    70   -73    74   0.09850  1.0 1.0
   59    70   -73    74   0.15250 -1.0 2.0
   59    70   -73    74  -0.50650  1.0 3.0
   59    70    73    76   0.46850  1.0 1.0
   59    70    73    76   0.08550 -1.0 2.0
   59    70    73    76   0.09800  1.0 3.0
   60    59    70    71   0.15000  1.0 3.0
   60    59    70    72   0.15000  1.0 3.0
   60    59    70    73   0.15000  1.0 3.0
   61    59    70    71   0.15000  1.0 3.0
   61    59    70    72   0.15000  1.0 3.0
   61    59    70    73   0.15000  1.0 3.0
   70    73    74    75   7.00000 -1.0 2.0
   70    73    74    80   7.00000 -1.0 2.0
   70    73    76    77   0.34800  1.0 3.0
   70    73    76    78   0.34800  1.0 3.0
   70    73    76    79   0.34800  1.0 3.0
   71    70    73    74   0.00000  1.0 1.0
   71    70    73    76   0.34800  1.0 3.0
   72    70    73    74   0.00000  1.0 1.0
   72    70    73    76   0.34800  1.0 3.0
   73    74   -80    52   0.09850  1.0 1.0
   73    74   -80    52   0.15250 -1.0 2.0
   73    74   -80    52  -0.50650  1.0 3.0
   73    74    80    81   0.00000  1.0 1.0
   73    74    80    47   0.39000  1.0 1.0
   73    74    80    47  -0.05800 -1.0 2.0
   73    74    80    47  -0.55150  1.0 3.0
   74    73    76    77   0.00000  1.0 1.0
   74    73    76    78   0.00000  1.0 1.0
   74    73    76    79   0.00000  1.0 1.0
   74    80    47    40  -0.77900  1.0 1.0
   74    80    47    40  -0.36900 -1.0 2.0
   74    80    47    40   0.40400  1.0 3.0
   75    74    80    52   0.00000  1.0 1.0
   75    74    80    81   0.33100  1.0 3.0
   75    74    80    47   0.00000  1.0 1.0
   80    52    59    60   0.15000  1.0 3.0
   80    52    59    61   0.15000  1.0 3.0
   80    52   -59    70   0.56750  1.0 1.0
   80    52   -59    70  -0.07550 -1.0 2.0
   80    52   -59    70   0.20000  1.0 3.0
   80    52    62    63   0.15000  1.0 3.0
   80    52    62    64   0.15000  1.0 3.0
   80    52    62    65   0.15000  1.0 3.0
   81    80    47    40   0.37050  1.0 3.0
   47    40    44    45   0.23400  1.0 3.0
   47    40    44    46   0.23400  1.0 3.0
   47    40    44    48   0.62750  1.0 1.0
   47    40    44    48  -0.30950 -1.0 2.0
   47    40    44    48   0.27300  1.0 3.0
   76    73    74    75   7.00000 -1.0 2.0
   76    73    74    80   7.00000 -1.0 2.0
   62    52    59    60   0.15000  1.0 3.0
   62    52    59    61   0.15000  1.0 3.0
   62    52    59    70   0.56750  1.0 1.0
   62    52    59    70  -0.07550 -1.0 2.0
   62    52    59    70   0.20000  1.0 3.0
   62    52    80    74   0.34400  1.0 1.0
   62    52    80    74   0.09450 -1.0 2.0
   62    52    80    74   0.11100  1.0 3.0
   62    52    80    81   0.15000  1.0 3.0
   62    52    80    47   0.62750  1.0 1.0
   62    52    80    47  -0.30950 -1.0 2.0
   62    52    80    47   0.27300  1.0 3.0
   53    50    52    59   0.56750  1.0 1.0
   53    50    52    59  -0.07550 -1.0 2.0
   53    50    52    59   0.20000  1.0 3.0
   53    50    52    80   0.56750  1.0 1.0
   53    50    52    80  -0.07550 -1.0 2.0
   53    50    52    80   0.20000  1.0 3.0
   53    50    52    62   0.56750  1.0 1.0
   53    50    52    62  -0.07550 -1.0 2.0
   53    50    52    62   0.20000  1.0 3.0
   51    48    50    39   0.62750  1.0 1.0
   51    48    50    39  -0.30950 -1.0 2.0
   51    48    50    39   0.27300  1.0 3.0
   51    48    50    52   0.62750  1.0 1.0
   51    48    50    52  -0.30950 -1.0 2.0
   51    48    50    52   0.27300  1.0 3.0
   51    48    50    53   0.62750  1.0 1.0
   51    48    50    53  -0.30950 -1.0 2.0
   51    48    50    53   0.27300  1.0 3.0
   51    57    66    67   0.00000  1.0 1.0
   51    57    66    68   0.00000  1.0 1.0
   51    57    66    69   0.00000  1.0 1.0
   58    57    66    67   0.00000  1.0 1.0
   58    57    66    68   0.00000  1.0 1.0
   58    57    66    69   0.00000  1.0 1.0
   42    39    40    41   0.23400  1.0 3.0
   42    39    40    44   0.86500  1.0 1.0
   42    39    40    44  -0.17500 -1.0 2.0
   42    39    40    44   0.20800  1.0 3.0
   42    39    40    47   3.69350  1.0 1.0
   42    39    40    47  -1.82950 -1.0 2.0
   42    39    50    48   0.86500  1.0 1.0
   42    39    50    48  -0.17500 -1.0 2.0
   42    39    50    48   0.20800  1.0 3.0
   42    39    50    52   0.86500  1.0 1.0
   42    39    50    52  -0.17500 -1.0 2.0
   42    39    50    52   0.20800  1.0 3.0
   42    39    50    53   0.86500  1.0 1.0
   42    39    50    53  -0.17500 -1.0 2.0
   42    39    50    53   0.20800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   70    76    73    74   1.10000 -1.0 2.0
   80    75    74    73   1.10000 -1.0 2.0
   51    66    57    58  10.50000 -1.0 2.0
END
