* LIGAND DATABASE FILE (OPLS2005)
*
001      87    90    161    261     467
    1     0 S   NP   _N1_     1    29.75077   101.09131   -20.29624
    2     1 S   H    _HN1     2     1.02931    47.35370    19.63016
    3     1 S   H    _H1_     3     1.02839    70.78249   157.89327
    4     1 S   H    _H2_     4     1.02823    91.70838   -93.90052
    5     1 S   CT   _CA1     5     1.50105   153.27388    59.61203
    6     5 S   HC   _HA1     6     1.09560   105.19432   147.79135
    7     5 S   CO3  _C1_     7     1.53760   112.43300    27.34190
    8     7 S   O2Z  _O11     8     1.26447   115.14136   -44.33802
    9     7 S   O2Z  _O12     9     1.26243   114.97677   134.84448
   10     5 S   CT   _CB1    10     1.53038   107.45906   -94.03207
   11    10 S   HC   HB11    11     1.09842   109.61183   -46.66322
   12    10 S   HC   HB12    12     1.09816   110.35951    69.97976
   13    10 S   CT   _CG1    13     1.53066   112.63450  -167.45398
   14    13 S   HC   HG11    14     1.09438   110.80364   -63.81926
   15    13 S   HC   HG12    15     1.09645   109.72425    55.44037
   16    13 S   C    _CD1    16     1.51774   111.68833   176.18315
   17    16 S   O    _OE1    17     1.22785   122.94522    15.13780
   18    16 S   N    _N2_    18     1.38640   112.13842  -165.35378
   19    18 S   H    _HN2    19     1.01560   119.17763     1.60791
   20    18 S   CT1  _CA2    20     1.46323   123.05228   177.54345
   21    20 S   HC   _HA2    21     1.09744   109.23506     4.98201
   22    20 S   C    _C2_    22     1.53572   108.85067  -110.55800
   23    22 S   O    _O2_    23     1.23072   122.20324  -148.90146
   24    20 S   CT   _CB2    32     1.53559   111.90691   126.84483
   25    24 S   HC   HB21    33     1.09323   109.34598    61.59154
   26    24 S   HC   HB22    34     1.09370   109.23902  -179.62938
   27    22 S   N    _N3_    24     1.38296   113.79147    38.45564
   28    27 S   H    _HN3    25     1.01563   119.57945    -3.11156
   29    24 S   S    _SG2    35     1.82288   110.84291   -60.87719
   30    27 S   CT   _CA3    26     1.45280   123.29642   177.28358
   31    30 S   HC   HA31    27     1.09546   107.49928   -65.16761
   32    30 S   HC   HA32    28     1.09555   108.01552    51.29758
   33    29 S   CT   _C10    36     1.86791   103.64509   163.61644
   34    30 S   CO3  _C3_    29     1.52977   114.02203   173.30315
   35    34 S   O2Z  _O31    30     1.26387   116.06532    -0.61580
   36    34 S   O2Z  _O32    31     1.26421   114.42527   179.44893
   37    33 S   CT1  _C9_    37     1.57091   110.62069   177.82273
   38    37 S   HC   _H6_    38     1.09578   111.97092    94.69573
   39    33 S   S    _S1_    63     1.86461   110.87726   -60.00819
   40    37 S   N4   _N4_    39     1.46231   101.87421  -151.10624
   41    37 S   CO3  _C21    60     1.54738   117.77497   -31.06595
   42    41 S   O2Z  _O36    61     1.26371   116.19949   -61.56925
   43    41 S   O2Z  _O35    62     1.26557   114.56983   118.76597
   44    39 S   CRA  _C11    64     1.75229   105.41765   -52.92286
   45    40 S   C4   _C8_    40     1.36179   126.00687   -92.20436
   46    45 S   O    _O33    41     1.21054   132.47149   -45.10723
   47    40 S   C4T  _C6_    44     1.47186   115.06900    26.88547
   48    47 S   HC   _H4_    45     1.09774   111.42012   109.88914
   49    44 S   N5B  _N5_    65     1.31173   123.37294   -16.49778
   50    45 S   C4T  _C7_    42     1.53979    91.65889   128.62793
   51    50 S   HC   _H5_    43     1.09812   110.29953  -115.04706
   52    33 S   CT   _C5_    46     1.58512   111.57136    64.13472
   53    52 S   HC   _H3_    47     1.09971   107.62352    32.82834
   54    49 S   C5B  _C12    66     1.38407   110.41230   179.30733
   55    52 S   CT   _C4_    48     1.52790   119.88333   -89.12520
   56    55 S   HC   _H8_    49     1.09325   113.00484   -63.05102
   57    55 S   HC   _H9_    50     1.09641   109.73356   178.42691
   58    55 S   HC   _H10    51     1.09025   112.36108    59.27255
   59    50 S   CT   _C22    52     1.52492   116.00151   119.28430
   60    59 S   HC   _H7_    53     1.09577   109.66648    66.53878
   61    54 S   C5A  _C13    67     1.38206   114.65094     0.42567
   62    61 S   HA   _H11    68     1.08111   129.49240  -178.76711
   63    54 S   CA   _C14    70     1.45591   120.69517  -177.79620
   64    59 S   CT   _C23    54     1.52192   110.26766  -172.63657
   65    64 S   HC   _H20    55     1.09557   111.13219    62.50542
   66    64 S   HC   _H21    56     1.09443   111.32314   -58.26473
   67    64 S   HC   _H22    57     1.09514   110.53794  -179.16537
   68    59 S   OH   _O37    58     1.42392   110.04820   -51.99742
   69    68 S   HO   _H23    59     0.97237   107.63645   178.94835
   70    44 S   SA   _S2_    69     1.71650   121.24172   163.61817
   71    63 S   CA   _C15    71     1.39656   119.55366    24.79334
   72    71 S   HA   _H12    72     1.08712   121.42276    -0.90828
   73    71 S   CA   _C16    73     1.38886   119.71335   178.13912
   74    73 S   HA   _H13    74     1.08396   121.99189  -179.40422
   75    73 S   NAP  _N6_    75     1.34986   120.79411     0.15323
   76    75 S   CA   _C17    76     1.35008   120.52545     1.13884
   77    76 S   HA   _H14    77     1.08389   117.12777   179.44822
   78    75 S   CT   _C19    80     1.47120   119.67101  -177.81126
   79    78 S   HC   _H16    81     1.09550   108.15709    33.08914
   80    78 S   HC   _H17    82     1.09505   108.78407   150.51266
   81    63 S   CA   _C18    78     1.39506   121.99314  -155.62207
   82    81 S   HA   _H15    79     1.08606   121.82013     1.31953
   83    78 S   C    _C20    83     1.50593   110.77796   -88.74605
   84    83 S   O    _O34    84     1.22751   123.67938   -17.55593
   85    83 S   N    _N7_    85     1.37586   113.15894   163.27748
   86    85 S   H    _H18    86     1.01466   123.01818    -0.18871
   87    85 S   H    _H19    87     1.01464   120.21571   179.72589
  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  11   5   4   3
  20   2   1   1  15   8  11  13   5   1   1   7  10   4  13   6
   7  12   5   6   4  10   3   2   1   1   7   6   5   2  10   5
   3   2   1   1   1   1   8   4   9   3  10   7   3   8   4   3
   1   1   4   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    47    52    53    55    41    39    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    45    50    47    48    52    53    55    56    57    58    41    42    43    39    44    49    70  
   35    36  
   36  
    0  
   38    40    45    46    50    47    48    52    53    55    41    42    43    39    44  
   40    45    47    52    41    42    43    39  
   44    49    54    61    70    40    41    47    52    53    55  
   45    46    50    51    47    48    52    53    55    59    41    42    43  
   42    43    45    47    52  
   43  
    0  
   49    54    61    62    70    63    52  
   46    50    51    47    48    52    59    60    64    68  
   50    51    47    59  
   48    52    53    55    56    57    58    59    60    64    68    50    51  
   52    53    55    59    50    51  
   54    61    62    70    63    71    81  
   51    52    53    55    59    60    64    65    66    67    68    69  
   52    59    60    64    68  
   53    55    56    57    58    59  
   55    56    57    58  
   61    62    70    63    71    72    73    76    81    82  
   56    57    58  
   57    58  
   58  
    0  
   60    64    65    66    67    68    69  
   64    65    66    67    68    69  
   62    70    63    71    81  
   70    63  
   71    72    73    74    75    76    77    81    82    70  
   65    66    67    68    69  
   66    67    68  
   67    68  
   68  
   69  
    0  
    0  
   72    73    74    75    76    81    82    78  
   73    74    75    81  
   74    75    76    77    81    78    79    80    83  
   75    76    78  
   76    77    81    82    78    79    80    83    84    85  
   77    81    82    78    79    80    83  
   81    82    78  
   79    80    83    84    85    86    87    81  
   80    83    84    85  
   83    84    85  
   82  
    0  
   84    85    86    87  
   85    86    87  
   86    87  
   87  
    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   0.335000   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   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.6000   0.3550  -0.320000   2.0300   1.8000   0.025682759  -1.666211680
   40   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   41   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   3.5500   0.0700   0.453400   2.5000   1.7750   0.001000000  -0.843144165
   45   3.7500   0.1050   0.665000   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   47   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   50   3.5000   0.0660  -0.154800   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700   0.284300   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.263800   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   71   3.5500   0.0700  -0.205100   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700   0.007500   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.2500   0.1700   0.632500   1.9750   1.7500   0.001000000  -0.511443539
   76   3.5500   0.0700   0.007500   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0700  -0.205100   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   83   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   85   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   86   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   87   0.5000   0.0300   0.380000   1.5900   1.4000   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    39   222.000  1.810
   37    38   340.000  1.090
   37    40   337.000  1.449
   37    41   317.000  1.522
   40    45   440.000  1.369
   40    47   305.000  1.456
   45    46   930.000  1.212
   45    50   250.000  1.540
   50    51   340.000  1.090
   50    47   268.000  1.529
   50    59   260.000  1.519
   47    48   340.000  1.090
   47    52   260.000  1.519
   52    53   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   59    60   340.000  1.090
   59    64   268.000  1.529
   59    68   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   68    69   553.000  0.945
   41    42   656.000  1.250
   41    43   656.000  1.250
   39    44   245.000  1.755
   44    49   488.000  1.335
   44    70   250.000  1.765
   49    54   410.000  1.394
   54    61   520.000  1.370
   54    63   330.000  1.454
   61    62   367.000  1.080
   61    70   265.000  1.745
   63    71   469.000  1.400
   63    81   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   485.000  1.342
   75    76   485.000  1.342
   75    78   280.000  1.457
   76    77   367.000  1.080
   76    81   469.000  1.400
   81    82   367.000  1.080
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    83   317.000  1.522
   83    84   570.000  1.229
   83    85   490.000  1.335
   85    86   434.000  1.010
   85    87   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  108.68000
   29    33    52    75.00000  111.63000
   29    33    39    75.00000  118.28000
   33    37    38    37.50000  110.70000
   33    37    40    80.00000  109.70000
   33    37    41    63.00000  111.10000
   33    52    47    70.00000  112.98000
   33    52    53    37.50000  110.70000
   33    52    55    58.35000  112.70000
   33    39    44    85.00000   97.05500
   37    40    45    50.00000  132.10000
   37    40    47    50.00000  132.70000
   37    41    42    70.00000  117.00000
   37    41    43    70.00000  117.00000
   40    37    38    35.00000  109.50000
   40    45    46    75.00000  131.60000
   40    45    50    95.00000   92.72400
   40    47    50   105.00000   87.49700
   40    47    48    50.00000  112.01000
   40    47    52    80.00000  110.05700
   45    50    51    40.00000  113.37500
   45    50    47   100.00000   86.36000
   45    50    59    63.00000  111.10000
   50    45    46    60.00000  136.58000
   50    47    48    37.50000  110.70000
   50    47    52    65.00000  119.52000
   50    59    60    45.00000  111.22300
   50    59    64    70.00000  112.98000
   50    59    68    50.00000  109.50000
   47    40    45   100.00000   93.00000
   47    50    51    37.50000  110.70000
   47    52    53    45.00000  111.22300
   47    52    55    70.00000  112.98000
   52    33    37    58.35000  112.70000
   52    47    48    45.00000  112.72800
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    58    37.50000  110.70000
   55    52    53    37.50000  110.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   59    50    51    45.00000  112.72800
   59    50    47    65.00000  119.52000
   59    64    65    37.50000  110.70000
   59    64    66    37.50000  110.70000
   59    64    67    37.50000  110.70000
   59    68    69    55.00000  108.50000
   64    59    60    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   68    59    60    35.00000  109.50000
   68    59    64    50.00000  109.50000
   41    37    38    35.00000  109.50000
   41    37    40    63.00000  110.10000
   43    41    42    80.00000  126.00000
   39    33    37    75.00000  108.68000
   39    33    52    75.00000  111.63000
   39    44    49    70.00000  126.12900
   39    44    70    70.00000  123.41300
   44    49    54    70.00000  110.00000
   44    70    61   120.00000   89.04400
   49    54    61    70.00000  111.00000
   49    54    63    70.00000  121.90000
   54    61    62    35.00000  130.70000
   54    61    70    80.00000  111.29200
   54    63    71    65.00000  120.49500
   54    63    81    65.00000  120.49500
   70    44    49    80.00000  114.57700
   70    61    62    40.00000  122.38200
   63    54    61    55.00000  131.00000
   63    71    72    35.00000  120.00000
   63    71    73    63.00000  120.00000
   63    81    76    63.00000  120.00000
   63    81    82    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    70.00000  119.29800
   73    71    72    35.00000  120.00000
   73    75    76    70.00000  123.81700
   73    75    78    70.00000  119.18700
   75    73    74    45.00000  112.84900
   75    76    77    45.00000  112.84900
   75    76    81    70.00000  119.29800
   75    78    79    50.00000  106.41000
   75    78    80    50.00000  106.41000
   75    78    83    80.00000  106.82000
   76    81    82    35.00000  120.00000
   81    63    71    63.00000  120.00000
   81    76    77    35.00000  120.00000
   78    75    76    70.00000  119.18700
   78    83    84    80.00000  120.40000
   78    83    85    70.00000  116.60000
   80    78    79    33.00000  107.80000
   83    78    79    35.00000  109.50000
   83    78    80    35.00000  109.50000
   83    85    86    35.00000  119.80000
   83    85    87    35.00000  119.80000
   85    83    84    80.00000  122.90000
   87    85    86    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  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    39   0.08500  1.0 1.0
   24    29    33    39  -0.53150 -1.0 2.0
   24    29    33    39   0.48050  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    40   0.71400  1.0 1.0
   29    33    37    40   0.04300 -1.0 2.0
   29    33    37    40   0.01450  1.0 3.0
   29    33    37    41  -2.17200  1.0 1.0
   29    33    37    41  -0.85700 -1.0 2.0
   29    33    52    47   0.44750  1.0 1.0
   29    33    52    47  -0.17800 -1.0 2.0
   29    33    52    47   0.20200  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    55   0.44750  1.0 1.0
   29    33    52    55  -0.17800 -1.0 2.0
   29    33    52    55   0.20200  1.0 3.0
   29    33    39    44   0.08500  1.0 1.0
   29    33    39    44  -0.53150 -1.0 2.0
   29    33    39    44   0.48050  1.0 3.0
   33    37    40    45   0.00000  1.0 1.0
   33    37   -40    47   0.00000  1.0 1.0
   33    37    41    42   0.00000  1.0 1.0
   33    37    41    43   0.00000  1.0 1.0
   33    52    55    56   0.15000  1.0 3.0
   33    52    55    57   0.15000  1.0 3.0
   33    52    55    58   0.15000  1.0 3.0
   33    39    44    49   0.63150 -1.0 2.0
   33    39    44    70   0.63150 -1.0 2.0
   37    33   -52    47   0.31550 -1.0 2.0
   37    33   -52    47   0.11250  1.0 3.0
   37    33    52    53   0.15000  1.0 3.0
   37    33    52    55   0.56750  1.0 1.0
   37    33    52    55  -0.07550 -1.0 2.0
   37    33    52    55   0.20000  1.0 3.0
   37    33    39    44  -0.35400  1.0 1.0
   37    33    39    44  -0.24450 -1.0 2.0
   37    33    39    44   0.44000  1.0 3.0
   37    40    45    46   3.00000 -1.0 2.0
   37    40    45    50   3.00000 -1.0 2.0
   37    40   -47    50   0.00000  1.0 1.0
   37    40    47    48   0.00000  1.0 1.0
   37    40   -47    52   0.00000  1.0 1.0
   38    37    40    45   0.00000  1.0 1.0
   38    37    40    47   0.00000  1.0 1.0
   38    37    41    42   0.00000  1.0 1.0
   38    37    41    43   0.00000  1.0 1.0
   40    37    41    42   0.00000  1.0 1.0
   40    37    41    43   0.00000  1.0 1.0
   40    45    50    51   0.00000  1.0 1.0
   40    45   -50    47   3.00000 -1.0 2.0
   40    45    50    59   1.39750  1.0 1.0
   40    45    50    59  -0.07950 -1.0 2.0
   40    45    50    59  -0.18750  1.0 3.0
   40    47   -52    33   0.43900  1.0 1.0
   40    47   -52    33   0.49100 -1.0 2.0
   40    47   -52    33   0.28400  1.0 3.0
   40    47    52    53   0.15000  1.0 3.0
   40    47    52    55   0.43900  1.0 1.0
   40    47    52    55   0.49100 -1.0 2.0
   40    47    52    55   0.28400  1.0 3.0
   45    40   -47    50   0.00000  1.0 1.0
   45    40    47    48   0.00000  1.0 1.0
   45    40    47    52   0.00000  1.0 1.0
   45    50   -47    40   3.00000 -1.0 2.0
   45    50   -47    48   0.15000  1.0 3.0
   45    50   -47    52  -0.95700  1.0 1.0
   45    50   -47    52  -0.18200 -1.0 2.0
   45    50   -47    52   0.29450  1.0 3.0
   45    50    59    60  -0.11250  1.0 3.0
   45    50    59    64  -0.95700  1.0 1.0
   45    50    59    64  -0.18200 -1.0 2.0
   45    50    59    64   0.29450  1.0 3.0
   45    50    59    68  -0.09450  1.0 1.0
   45    50    59    68  -1.12950 -1.0 2.0
   45    50    59    68   0.54000  1.0 3.0
   46    45    50    51   0.00000  1.0 1.0
   46    45    50    47  -0.11250  1.0 1.0
   46    45    50    47   0.11400 -1.0 2.0
   46    45    50    47  -0.28950  1.0 3.0
   46    45    50    59   0.30150 -1.0 2.0
   50    47    52    33   0.04050  1.0 1.0
   50    47    52    33   0.63700 -1.0 2.0
   50    47    52    33   0.17650  1.0 3.0
   50    47    52    53   0.00000  1.0 1.0
   50    47    52    55   0.04050  1.0 1.0
   50    47    52    55   0.63700 -1.0 2.0
   50    47    52    55   0.17650  1.0 3.0
   50    59    64    65   0.15000  1.0 3.0
   50    59    64    66   0.15000  1.0 3.0
   50    59    64    67   0.15000  1.0 3.0
   50    59    68    69  -0.11600  1.0 1.0
   50    59    68    69  -0.09450 -1.0 2.0
   50    59    68    69   0.21250  1.0 3.0
   51    50   -47    40   0.15000  1.0 3.0
   51    50    47    48   0.15000  1.0 3.0
   51    50    47    52   0.15000  1.0 3.0
   51    50    59    60   0.15000  1.0 3.0
   51    50    59    64   0.15000  1.0 3.0
   51    50    59    68   0.23400  1.0 3.0
   47    40   -45    46   3.00000 -1.0 2.0
   47    40   -45    50   3.00000 -1.0 2.0
   47    50    59    60   0.00000  1.0 1.0
   47    50    59    64   0.04050  1.0 1.0
   47    50    59    64   0.63700 -1.0 2.0
   47    50    59    64   0.17650  1.0 3.0
   47    50    59    68   0.86500  1.0 1.0
   47    50    59    68  -0.17500 -1.0 2.0
   47    50    59    68   0.20800  1.0 3.0
   47    52    55    56   0.15000  1.0 3.0
   47    52    55    57   0.15000  1.0 3.0
   47    52    55    58   0.15000  1.0 3.0
   48    47    52    33   0.15000  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    55   0.15000  1.0 3.0
   52    33    37    38   0.15000  1.0 3.0
   52    33   -37    40   0.42250  1.0 1.0
   52    33   -37    40  -0.48100 -1.0 2.0
   52    33   -37    40   0.35650  1.0 3.0
   52    33    37    41  -0.84850  1.0 1.0
   52    33    37    41  -0.22800 -1.0 2.0
   52    33    37    41   0.29250  1.0 3.0
   52    33    39    44  -0.35400  1.0 1.0
   52    33    39    44  -0.24450 -1.0 2.0
   52    33    39    44   0.44000  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    58   0.15000  1.0 3.0
   59    50   -47    40   0.43900  1.0 1.0
   59    50   -47    40   0.49100 -1.0 2.0
   59    50   -47    40   0.28400  1.0 3.0
   59    50    47    48   0.15000  1.0 3.0
   59    50    47    52   0.56750  1.0 1.0
   59    50    47    52  -0.07550 -1.0 2.0
   59    50    47    52   0.20000  1.0 3.0
   60    59    64    65   0.15000  1.0 3.0
   60    59    64    66   0.15000  1.0 3.0
   60    59    64    67   0.15000  1.0 3.0
   60    59    68    69   0.19450  1.0 3.0
   64    59    68    69  -0.11600  1.0 1.0
   64    59    68    69  -0.09450 -1.0 2.0
   64    59    68    69   0.21250  1.0 3.0
   68    59    64    65   0.23400  1.0 3.0
   68    59    64    66   0.23400  1.0 3.0
   68    59    64    67   0.23400  1.0 3.0
   41    37    40    45   0.00000  1.0 1.0
   41    37    40    47   0.00000  1.0 1.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    40   0.71400  1.0 1.0
   39    33    37    40   0.04300 -1.0 2.0
   39    33    37    40   0.01450  1.0 3.0
   39    33    37    41  -2.17200  1.0 1.0
   39    33    37    41  -0.85700 -1.0 2.0
   39    33    52    47   0.44750  1.0 1.0
   39    33    52    47  -0.17800 -1.0 2.0
   39    33    52    47   0.20200  1.0 3.0
   39    33    52    53   0.15000  1.0 3.0
   39    33    52    55   0.44750  1.0 1.0
   39    33    52    55  -0.17800 -1.0 2.0
   39    33    52    55   0.20200  1.0 3.0
   39    44    49    54   3.62500 -1.0 2.0
   39    44    70    61   3.62500 -1.0 2.0
   44    49   -54    61   2.40000 -1.0 2.0
   44    49    54    63   3.62500 -1.0 2.0
   49    44   -70    61   3.62500 -1.0 2.0
   49    54    61    62   3.62500 -1.0 2.0
   49    54   -61    70   3.62500 -1.0 2.0
   49    54    63    71   0.04300  1.0 1.0
   49    54    63    71   0.58850 -1.0 2.0
   49    54    63    71   0.22750  1.0 3.0
   49    54    63    81   0.04300  1.0 1.0
   49    54    63    81   0.58850 -1.0 2.0
   49    54    63    81   0.22750  1.0 3.0
   54    61   -70    44   3.62500 -1.0 2.0
   54    63    71    72   3.62500 -1.0 2.0
   54    63    71    73   3.62500 -1.0 2.0
   54    63    81    76   3.62500 -1.0 2.0
   54    63    81    82   3.62500 -1.0 2.0
   61    54    63    71  -0.19450  1.0 1.0
   61    54    63    71   0.63300 -1.0 2.0
   61    54    63    71   0.07450  1.0 3.0
   61    54    63    81  -0.19450  1.0 1.0
   61    54    63    81   0.63300 -1.0 2.0
   61    54    63    81   0.07450  1.0 3.0
   62    61    70    44   3.62500 -1.0 2.0
   70    44   -49    54   3.62500 -1.0 2.0
   63    54    61    62   3.62500 -1.0 2.0
   63    54    61    70   3.62500 -1.0 2.0
   63    71    73    74   3.62500 -1.0 2.0
   63    71    73    75   3.62500 -1.0 2.0
   71    63    81    76   3.62500 -1.0 2.0
   71    63    81    82   3.62500 -1.0 2.0
   71    73   -75    76   3.62500 -1.0 2.0
   71    73    75    78   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75    76    77   3.62500 -1.0 2.0
   73    75    76    81   3.62500 -1.0 2.0
   73    75    78    79   0.00000  1.0 1.0
   73    75    78    80   0.00000  1.0 1.0
   73    75    78    83   0.00000  1.0 1.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    78   3.62500 -1.0 2.0
   75    76   -81    63   3.62500 -1.0 2.0
   75    76    81    82   3.62500 -1.0 2.0
   75    78    83    84   0.30150 -1.0 2.0
   75    78    83    85   0.00000  1.0 1.0
   76    75    78    79   0.00000  1.0 1.0
   76    75    78    80   0.00000  1.0 1.0
   76    75    78    83   0.00000  1.0 1.0
   77    76    81    63   3.62500 -1.0 2.0
   77    76    81    82   3.62500 -1.0 2.0
   81    63    71    72   3.62500 -1.0 2.0
   81    63   -71    73   3.62500 -1.0 2.0
   78    75    76    77   3.62500 -1.0 2.0
   78    75    76    81   3.62500 -1.0 2.0
   78    83    85    86   2.45000 -1.0 2.0
   78    83    85    87   2.45000 -1.0 2.0
   79    78    83    84   0.00000  1.0 1.0
   79    78    83    85   0.00000  1.0 1.0
   80    78    83    84   0.00000  1.0 1.0
   80    78    83    85   0.00000  1.0 1.0
   84    83    85    86   2.45000 -1.0 2.0
   84    83    85    87   2.45000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   47    45    40    37   1.00000 -1.0 2.0
   40    50    45    46  10.50000 -1.0 2.0
   42    37    41    43  10.50000 -1.0 2.0
   49    70    44    39   4.00000 -1.0 2.0
   61    63    54    49   4.00000 -1.0 2.0
   70    62    61    54   1.10000 -1.0 2.0
   71    81    63    54   4.00000 -1.0 2.0
   73    72    71    63   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   76    78    75    73   4.00000 -1.0 2.0
   81    77    76    75   1.10000 -1.0 2.0
   76    82    81    63   1.10000 -1.0 2.0
   78    85    83    84  10.50000 -1.0 2.0
   87    83    85    86   1.00000 -1.0 2.0
END
