* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    158    247     459
    1     0 S   NP   _N1_     1    30.01929   100.47168   -24.44566
    2     1 S   H    _HN1     2     1.02826    62.71594   172.24197
    3     1 S   H    _H1_     3     1.02793   118.20123   -91.12033
    4     1 S   H    _H2_     4     1.02944    44.46127    -3.12844
    5     1 S   CT   _CA1     5     1.50069   128.68077    76.66030
    6     5 S   HC   _HA1     6     1.09560   105.14798   130.11842
    7     5 S   CO3  _C1_     7     1.53760   112.72537     9.96751
    8     7 S   O2Z  _O11     8     1.26365   115.00297   -39.13886
    9     7 S   O2Z  _O12     9     1.26253   114.97283   140.15396
   10     5 S   CT   _CB1    10     1.53105   107.47102  -111.92192
   11    10 S   HC   HB11    11     1.09827   109.27742   -50.44503
   12    10 S   HC   HB12    12     1.09799   110.56405    66.25458
   13    10 S   CT   _CG1    13     1.52872   112.40685  -171.40090
   14    13 S   HC   HG11    14     1.09579   110.71918   -69.17839
   15    13 S   HC   HG12    15     1.09715   109.53044    49.86333
   16    13 S   C    _CD1    16     1.51801   112.47269   170.31497
   17    16 S   O    _OE1    17     1.22674   123.58494    12.03932
   18    16 S   N    _N2_    18     1.38552   111.27379  -167.61595
   19    18 S   H    _HN2    19     1.01388   118.87368    -1.52084
   20    18 S   CT1  _CA2    20     1.45995   123.66542   174.97586
   21    20 S   HC   _HA2    21     1.09729   108.53168    30.12121
   22    20 S   C    _C2_    22     1.53675   110.82336   -86.32756
   23    22 S   O    _O2_    23     1.23137   121.02997   173.75132
   24    20 S   CT   _CB2    32     1.53345   111.02265   152.58277
   25    24 S   HC   HB21    33     1.09562   110.05196    54.84059
   26    24 S   HC   HB22    34     1.09525   110.61017   173.72140
   27    22 S   N    _N3_    24     1.37990   114.94953    -8.53794
   28    27 S   H    _HN3    25     1.01529   119.27971     1.08733
   29    24 S   S    _SG2    35     1.82615   111.12412   -66.61064
   30    27 S   CT   _CA3    26     1.45253   123.74341   179.26939
   31    30 S   HC   HA31    27     1.09532   108.43013   -45.19206
   32    30 S   HC   HA32    28     1.09538   107.22235    71.46019
   33    29 S   CT   _C16    36     1.83364    99.25120   167.15392
   34    33 S   HC   _H3_    37     1.09466   109.94751    32.45546
   35    30 S   CO3  _C3_    29     1.53043   113.72244  -167.12712
   36    35 S   O2Z  _O31    30     1.26422   116.01344     9.38691
   37    35 S   O2Z  _O32    31     1.26396   114.51415  -170.27498
   38    33 S   CM   _C6_    38     1.49386   109.31990   156.15357
   39    38 S   CMA  _C7_    39     1.35050   111.48184   103.17426
   40    39 S   OM   _O20    40     1.26241   128.22127  -179.33677
   41    38 S   CT   _C20    79     1.49539   120.18882   -78.02521
   42    41 S   HC   _H39    80     1.09484   110.06109   -56.50772
   43    41 S   HC   _H40    81     1.09430   112.48018  -176.33072
   44    41 S   HC   _H41    82     1.09425   110.75119    63.29007
   45    39 S   OS   _O22    41     1.42500   109.30073    -0.45197
   46    33 S   CO   _C18    42     1.53031   115.04155   -93.74316
   47    46 S   HC   _H38    43     1.10186   108.87247   157.00464
   48    46 S   OS   _O25    44     1.42998   112.18027    36.71069
   49    48 S   CM   _C10    45     1.37009   113.48716   176.77973
   50    49 S   HC   _H27    46     1.08167   115.15854    -1.08516
   51    49 S   CM   _C8_    47     1.33469   121.99326   178.90962
   52    51 S   CO4  _C9_    48     1.47376   122.59422  -179.58788
   53    52 S   O    _O21    49     1.21780   126.75849    -6.92651
   54    52 S   OS   _O23    50     1.36341   107.54224   174.06192
   55    54 S   CT   _C14    51     1.43358   111.17949    -6.67109
   56    55 S   HC   _H34    52     1.09473   109.52599  -106.40913
   57    55 S   CM   _C5_    53     1.49791   111.10609   128.61448
   58    57 S   CM   _C4_    54     1.34105   111.13187  -105.79466
   59    58 S   CT   _C11    55     1.49269   112.60099     0.84302
   60    59 S   HC   _H28    56     1.09566   110.77456   111.04185
   61    59 S   HC   _H29    57     1.09451   111.10874  -128.52538
   62    58 S   CT   _C15    60     1.49019   125.10761  -179.38008
   63    62 S   HC   _H35    61     1.09392   110.08585   135.46912
   64    51 S   CT   _C17    58     1.48151   128.06445    -0.41449
   65    64 S   HC   _H37    59     1.09492   112.18729   -47.55100
   66    62 S   CT   _C12    62     1.53361   111.95678    13.51582
   67    66 S   HC   _H30    63     1.09641   110.19521  -162.26594
   68    66 S   HC   _H31    64     1.09637   109.62288    80.06788
   69    62 S   OH   _O24    77     1.42530   107.83991  -107.51607
   70    69 S   HO   _H48    78     0.97239   107.28490  -176.79161
   71    66 S   CT   _C13    65     1.53483   111.62460   -41.19979
   72    71 S   HC   _H32    66     1.09737   109.20358  -178.87256
   73    71 S   HC   _H33    67     1.09894   108.18531   -63.76478
   74    57 S   CT   _C19    68     1.51239   124.76514    74.93422
   75    74 S   CT   _C21    69     1.54098   108.83698    73.52925
   76    75 S   HC   _H42    70     1.09602   111.07837   176.05563
   77    75 S   HC   _H43    71     1.09566   111.93836    55.72071
   78    75 S   HC   _H44    72     1.09604   111.43039   -64.43179
   79    74 S   CT   _C22    73     1.53904   111.84587   -46.42327
   80    79 S   HC   _H45    74     1.09629   110.95130  -176.30997
   81    79 S   HC   _H46    75     1.09591   111.73368    64.14357
   82    79 S   HC   _H47    76     1.09621   111.39137   -56.46934
  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   9   5   4   3
  13   7   2   1   1  10   9   3   5   2   1   1   4   5   2   5
   9   3  12   8   3   8  13   6  22  16   9   4   3  11   6   2
   1  10   6   5   2   1  11   4   3   8   7   3   2   1   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    45    46    47    48    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    45    46    47    48    49    41    42    43    44  
   38    39    45    46    47    48    41  
   36    37  
   37  
    0  
   39    40    45    46    47    48    41    42    43    44  
   40    45    46    47    48    41    42    43    44  
   45    46    41  
   42    43    44    45    46  
   43    44  
   44  
    0  
   46    47    48    49  
   47    48    49    50    51  
   48    49  
   49    50    51    52    64  
   50    51    52    53    54    55    59    64    65  
   51    52    64  
   52    53    54    55    56    57    58    59    60    61    64    65  
   53    54    55    56    57    59    64    65  
   54    55    64  
   55    56    57    58    59    64    65    74  
   56    57    58    59    60    61    64    65    62    71    74    75    79  
   57    58    59    64    65    74  
   58    59    60    61    64    65    62    63    66    71    72    73    74    75    76    77    78    79    80    81    82    69  
   59    60    61    64    65    62    63    66    67    68    71    74    75    79    69    70  
   60    61    64    65    62    63    66    74    69  
   61    64    65    62  
   64    65    62  
   63    66    67    68    71    72    73    74    69    70    64  
   66    67    68    71    69    70  
   65    74  
    0  
   67    68    71    72    73    74    75    79    69    70  
   68    71    72    73    74    69  
   71    72    73    74    69  
   70    71  
    0  
   72    73    74    75    76    77    78    79    80    81    82  
   73    74    75    79  
   74    75    79  
   75    76    77    78    79    80    81    82  
   76    77    78    79    80    81    82  
   77    78    79  
   78    79  
   79  
   80    81    82  
   81    82  
   82  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.8500   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    46   250.000  1.527
   38    39   465.000  1.376
   38    41   317.000  1.510
   39    40   745.000  1.250
   39    45   440.000  1.360
   45    46   320.000  1.380
   46    47   340.000  1.090
   46    48   320.000  1.380
   48    49   440.000  1.360
   49    50   340.000  1.080
   49    51   549.000  1.340
   51    52   320.000  1.462
   51    64   317.000  1.510
   52    53   570.000  1.229
   52    54   214.000  1.327
   54    55   320.000  1.410
   55    56   340.000  1.090
   55    57   317.000  1.510
   55    64   268.000  1.529
   57    58   549.000  1.340
   57    74   317.000  1.510
   58    59   317.000  1.510
   58    62   317.000  1.510
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    64   268.000  1.529
   64    65   340.000  1.090
   62    63   340.000  1.090
   62    66   268.000  1.529
   62    69   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   268.000  1.529
   74    75   268.000  1.529
   74    79   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   69    70   553.000  0.945
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    46    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  117.92700
   33    46    45    90.00000  108.56700
   33    46    47    45.00000  112.01100
   33    46    48    90.00000  108.56700
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    45    80.00000  120.01400
   38    41    42    35.00000  109.50000
   38    41    43    35.00000  109.50000
   38    41    44    35.00000  109.50000
   39    45    46    85.00000  113.97000
   45    39    40    65.00000  121.00000
   45    46    47    35.00000  109.50000
   45    46    48    92.60000  111.55000
   46    33    34    45.00000  108.72000
   46    33    38    70.00000  112.02700
   46    48    49    85.00000  113.97000
   48    46    47    35.00000  109.50000
   48    49    50    55.00000  109.52600
   48    49    51    80.00000  120.01400
   49    51    52    65.00000  118.96000
   49    51    64    70.00000  124.00000
   51    49    50    35.00000  120.00000
   51    52    53    80.00000  123.72100
   51    52    54    90.00000  111.29400
   51    64    55    70.00000  112.02700
   51    64    59    70.00000  112.02700
   51    64    65    35.00000  109.50000
   52    54    55    83.00000  116.90000
   54    52    53    83.00000  123.40000
   54    55    56    35.00000  109.50000
   54    55    57    85.00000  110.90400
   54    55    64    50.00000  109.50000
   55    57    58    70.00000  124.00000
   55    57    74    65.00000  117.92700
   55    64    59    58.35000  112.70000
   55    64    65    37.50000  110.70000
   57    55    56    35.00000  109.50000
   57    58    59    70.00000  124.00000
   57    58    62    70.00000  124.00000
   57    74    71    70.00000  112.02700
   57    74    75    70.00000  112.02700
   57    74    79    70.00000  112.02700
   58    59    60    35.00000  109.50000
   58    59    61    35.00000  109.50000
   58    59    64    70.00000  112.02700
   58    62    63    35.00000  109.50000
   58    62    66    70.00000  112.02700
   58    62    69    90.00000  110.39200
   59    64    65    37.50000  110.70000
   61    59    60    33.00000  107.80000
   64    51    52    65.00000  116.34900
   64    55    56    37.50000  110.70000
   64    55    57    70.00000  112.02700
   64    59    60    37.50000  110.70000
   64    59    61    37.50000  110.70000
   62    58    59    65.00000  117.92700
   62    66    67    37.50000  110.70000
   62    66    68    37.50000  110.70000
   62    66    71    58.35000  112.70000
   62    69    70    55.00000  108.50000
   66    62    63    37.50000  110.70000
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    74    58.35000  112.70000
   68    66    67    33.00000  107.80000
   71    66    67    37.50000  110.70000
   71    66    68    37.50000  110.70000
   71    74    75    58.35000  112.70000
   71    74    79    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    57    58    70.00000  124.00000
   74    71    72    37.50000  110.70000
   74    71    73    37.50000  110.70000
   74    75    76    37.50000  110.70000
   74    75    77    37.50000  110.70000
   74    75    78    37.50000  110.70000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    82    37.50000  110.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   79    74    75    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   69    62    63    35.00000  109.50000
   69    62    66    50.00000  109.50000
   41    38    39    70.00000  124.00000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   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    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.30250  1.0 1.0
   29    33    38    41  -0.14950 -1.0 2.0
   29    33    38    41   0.36900  1.0 3.0
   29    33    46    45   0.56750  1.0 1.0
   29    33    46    45  -0.07550 -1.0 2.0
   29    33    46    45   0.20000  1.0 3.0
   29    33    46    47   0.15000  1.0 3.0
   29    33    46    48   0.56750  1.0 1.0
   29    33    46    48  -0.07550 -1.0 2.0
   29    33    46    48   0.20000  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38   -39    45   7.00000 -1.0 2.0
   33    38    41    42   0.34800  1.0 3.0
   33    38    41    43   0.34800  1.0 3.0
   33    38    41    44   0.34800  1.0 3.0
   33    46    48    49  -0.46850  1.0 1.0
   33    46    48    49   0.09300 -1.0 2.0
   33    46    48    49  -0.12850  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.34800  1.0 3.0
   34    33    46    45   0.23400  1.0 3.0
   34    33    46    47   0.15000  1.0 3.0
   34    33    46    48   0.23400  1.0 3.0
   38    33   -46    45   0.61850  1.0 1.0
   38    33   -46    45  -0.22750 -1.0 2.0
   38    33   -46    45   0.15300  1.0 3.0
   38    33    46    47   0.15000  1.0 3.0
   38    33    46    48   0.61850  1.0 1.0
   38    33    46    48  -0.22750 -1.0 2.0
   38    33    46    48   0.15300  1.0 3.0
   38    39   -45    46  -2.26850  1.0 1.0
   38    39   -45    46   3.39050 -1.0 2.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   39    38    41    44   0.00000  1.0 1.0
   39    45   -46    33  -0.46850  1.0 1.0
   39    45   -46    33   0.09300 -1.0 2.0
   39    45   -46    33  -0.12850  1.0 3.0
   39    45    46    47   0.08050  1.0 3.0
   39    45    46    48  -0.48150  1.0 1.0
   39    45    46    48   0.09250 -1.0 2.0
   39    45    46    48  -0.12850  1.0 3.0
   40    39    45    46   2.00000 -1.0 2.0
   45    46    48    49  -0.48150  1.0 1.0
   45    46    48    49   0.09250 -1.0 2.0
   45    46    48    49  -0.12850  1.0 3.0
   46    33   -38    39   0.09850  1.0 1.0
   46    33   -38    39   0.15250 -1.0 2.0
   46    33   -38    39  -0.50650  1.0 3.0
   46    33    38    41   0.46850  1.0 1.0
   46    33    38    41   0.08550 -1.0 2.0
   46    33    38    41   0.09800  1.0 3.0
   46    48    49    50   0.50000 -1.0 2.0
   46    48    49    51  -2.26850  1.0 1.0
   46    48    49    51   3.39050 -1.0 2.0
   47    46    48    49   0.08050  1.0 3.0
   48    49    51    52   7.00000 -1.0 2.0
   48    49    51    64   7.00000 -1.0 2.0
   49    51    52    53   1.00000 -1.0 2.0
   49    51    52    54  -0.56150  1.0 1.0
   49    51    52    54   2.19150 -1.0 2.0
   49    51    64    55   0.09850  1.0 1.0
   49    51    64    55   0.15250 -1.0 2.0
   49    51    64    55  -0.50650  1.0 3.0
   49    51    64    59   0.09850  1.0 1.0
   49    51    64    59   0.15250 -1.0 2.0
   49    51    64    59  -0.50650  1.0 3.0
   49    51    64    65   0.00000  1.0 1.0
   50    49    51    52   7.00000 -1.0 2.0
   50    49    51    64   7.00000 -1.0 2.0
   51    52   -54    55   2.00000 -1.0 2.0
   52    51   -64    55   0.09700  1.0 1.0
   52    51   -64    55   0.15600 -1.0 2.0
   52    51   -64    55  -0.50800  1.0 3.0
   52    51    64    59   0.09700  1.0 1.0
   52    51    64    59   0.15600 -1.0 2.0
   52    51    64    59  -0.50800  1.0 3.0
   52    51    64    65   0.15000  1.0 3.0
   52    54    55    56   0.08050  1.0 3.0
   52    54    55    57  -0.82050  1.0 1.0
   52    54    55    57   0.00600 -1.0 2.0
   52    54    55    57   0.04400  1.0 3.0
   52    54   -55    64  -0.25900  1.0 1.0
   52    54   -55    64  -0.47000 -1.0 2.0
   52    54   -55    64   0.11750  1.0 3.0
   53    52    54    55   3.00000 -1.0 2.0
   54    55    57    58   0.39000  1.0 1.0
   54    55    57    58  -0.05800 -1.0 2.0
   54    55    57    58  -0.55150  1.0 3.0
   54    55    57    74   0.09700  1.0 1.0
   54    55    57    74   0.15600 -1.0 2.0
   54    55    57    74  -0.50800  1.0 3.0
   54    55   -64    51   0.61850  1.0 1.0
   54    55   -64    51  -0.22750 -1.0 2.0
   54    55   -64    51   0.15300  1.0 3.0
   54    55    64    59   0.62750  1.0 1.0
   54    55    64    59  -0.30950 -1.0 2.0
   54    55    64    59   0.27300  1.0 3.0
   54    55    64    65   0.23400  1.0 3.0
   55    57   -58    59   7.00000 -1.0 2.0
   55    57    58    62   7.00000 -1.0 2.0
   55    57    74    71   0.46850  1.0 1.0
   55    57    74    71   0.08550 -1.0 2.0
   55    57    74    71   0.09800  1.0 3.0
   55    57    74    75   0.46850  1.0 1.0
   55    57    74    75   0.08550 -1.0 2.0
   55    57    74    75   0.09800  1.0 3.0
   55    57    74    79   0.46850  1.0 1.0
   55    57    74    79   0.08550 -1.0 2.0
   55    57    74    79   0.09800  1.0 3.0
   56    55    57    58   0.00000  1.0 1.0
   56    55    57    74   0.34800  1.0 3.0
   56    55    64    51   0.15000  1.0 3.0
   56    55    64    59   0.15000  1.0 3.0
   56    55    64    65   0.15000  1.0 3.0
   57    55    64    51   0.31000  1.0 1.0
   57    55    64    51   0.14700 -1.0 2.0
   57    55    64    51   0.07550  1.0 3.0
   57    55   -64    59   0.34400  1.0 1.0
   57    55   -64    59   0.09450 -1.0 2.0
   57    55   -64    59   0.11100  1.0 3.0
   57    55    64    65   0.15000  1.0 3.0
   57    58    59    60   0.00000  1.0 1.0
   57    58    59    61   0.00000  1.0 1.0
   57    58   -59    64   0.09850  1.0 1.0
   57    58   -59    64   0.15250 -1.0 2.0
   57    58   -59    64  -0.50650  1.0 3.0
   57    58    62    63   0.00000  1.0 1.0
   57    58    62    66   0.09850  1.0 1.0
   57    58    62    66   0.15250 -1.0 2.0
   57    58    62    66  -0.50650  1.0 3.0
   57    58    62    69   0.67800  1.0 1.0
   57    58    62    69   0.47050 -1.0 2.0
   57    58    62    69  -0.62500  1.0 3.0
   57    74    75    76   0.15000  1.0 3.0
   57    74    75    77   0.15000  1.0 3.0
   57    74    75    78   0.15000  1.0 3.0
   57    74    79    80   0.15000  1.0 3.0
   57    74    79    81   0.15000  1.0 3.0
   57    74    79    82   0.15000  1.0 3.0
   58    57    74    71   0.09850  1.0 1.0
   58    57    74    71   0.15250 -1.0 2.0
   58    57    74    71  -0.50650  1.0 3.0
   58    57    74    75   0.09850  1.0 1.0
   58    57    74    75   0.15250 -1.0 2.0
   58    57    74    75  -0.50650  1.0 3.0
   58    57    74    79   0.09850  1.0 1.0
   58    57    74    79   0.15250 -1.0 2.0
   58    57    74    79  -0.50650  1.0 3.0
   58    59    64    51   0.31000  1.0 1.0
   58    59    64    51   0.14700 -1.0 2.0
   58    59    64    51   0.07550  1.0 3.0
   58    59   -64    55   0.34400  1.0 1.0
   58    59   -64    55   0.09450 -1.0 2.0
   58    59   -64    55   0.11100  1.0 3.0
   58    59    64    65   0.15000  1.0 3.0
   58    62    66    67   0.15000  1.0 3.0
   58    62    66    68   0.15000  1.0 3.0
   58    62   -66    71   0.34400  1.0 1.0
   58    62   -66    71   0.09450 -1.0 2.0
   58    62   -66    71   0.11100  1.0 3.0
   58    62    69    70  -0.07800  1.0 1.0
   58    62    69    70  -0.21500 -1.0 2.0
   58    62    69    70  -0.03150  1.0 3.0
   59    58    62    63   0.34800  1.0 3.0
   59    58    62    66   0.46850  1.0 1.0
   59    58    62    66   0.08550 -1.0 2.0
   59    58    62    66   0.09800  1.0 3.0
   59    58    62    69   0.18000  1.0 1.0
   59    58    62    69   0.16450 -1.0 2.0
   59    58    62    69   0.04450  1.0 3.0
   60    59    64    51   0.15000  1.0 3.0
   60    59    64    55   0.15000  1.0 3.0
   60    59    64    65   0.15000  1.0 3.0
   61    59    64    51   0.15000  1.0 3.0
   61    59    64    55   0.15000  1.0 3.0
   61    59    64    65   0.15000  1.0 3.0
   64    51    52    53  -0.64400  1.0 1.0
   64    51    52    53   0.26850 -1.0 2.0
   64    51   -52    54  -0.15000  1.0 1.0
   64    51   -52    54   0.89550 -1.0 2.0
   64    51   -52    54  -0.06900  1.0 3.0
   64    55   -57    58   0.09850  1.0 1.0
   64    55   -57    58   0.15250 -1.0 2.0
   64    55   -57    58  -0.50650  1.0 3.0
   64    55    57    74   0.46850  1.0 1.0
   64    55    57    74   0.08550 -1.0 2.0
   64    55    57    74   0.09800  1.0 3.0
   62    58    59    60   0.34800  1.0 3.0
   62    58    59    61   0.34800  1.0 3.0
   62    58    59    64   0.46850  1.0 1.0
   62    58    59    64   0.08550 -1.0 2.0
   62    58    59    64   0.09800  1.0 3.0
   62    66    71    72   0.15000  1.0 3.0
   62    66    71    73   0.15000  1.0 3.0
   62    66    71    74   0.56750  1.0 1.0
   62    66    71    74  -0.07550 -1.0 2.0
   62    66    71    74   0.20000  1.0 3.0
   63    62    66    67   0.15000  1.0 3.0
   63    62    66    68   0.15000  1.0 3.0
   63    62    66    71   0.15000  1.0 3.0
   63    62    69    70   0.19450  1.0 3.0
   66    62    69    70  -0.11600  1.0 1.0
   66    62    69    70  -0.09450 -1.0 2.0
   66    62    69    70   0.21250  1.0 3.0
   66    71   -74    57   0.34400  1.0 1.0
   66    71   -74    57   0.09450 -1.0 2.0
   66    71   -74    57   0.11100  1.0 3.0
   66    71    74    75   0.56750  1.0 1.0
   66    71    74    75  -0.07550 -1.0 2.0
   66    71    74    75   0.20000  1.0 3.0
   66    71    74    79   0.56750  1.0 1.0
   66    71    74    79  -0.07550 -1.0 2.0
   66    71    74    79   0.20000  1.0 3.0
   67    66    71    72   0.15000  1.0 3.0
   67    66    71    73   0.15000  1.0 3.0
   67    66    71    74   0.15000  1.0 3.0
   68    66    71    72   0.15000  1.0 3.0
   68    66    71    73   0.15000  1.0 3.0
   68    66    71    74   0.15000  1.0 3.0
   71    74    75    76   0.15000  1.0 3.0
   71    74    75    77   0.15000  1.0 3.0
   71    74    75    78   0.15000  1.0 3.0
   71    74    79    80   0.15000  1.0 3.0
   71    74    79    81   0.15000  1.0 3.0
   71    74    79    82   0.15000  1.0 3.0
   72    71    74    57   0.15000  1.0 3.0
   72    71    74    75   0.15000  1.0 3.0
   72    71    74    79   0.15000  1.0 3.0
   73    71    74    57   0.15000  1.0 3.0
   73    71    74    75   0.15000  1.0 3.0
   73    71    74    79   0.15000  1.0 3.0
   74    57    58    59   7.00000 -1.0 2.0
   74    57   -58    62   7.00000 -1.0 2.0
   75    74    79    80   0.15000  1.0 3.0
   75    74    79    81   0.15000  1.0 3.0
   75    74    79    82   0.15000  1.0 3.0
   79    74    75    76   0.15000  1.0 3.0
   79    74    75    77   0.15000  1.0 3.0
   79    74    75    78   0.15000  1.0 3.0
   69    62    66    67   0.23400  1.0 3.0
   69    62    66    68   0.23400  1.0 3.0
   69    62    66    71   0.86500  1.0 1.0
   69    62    66    71  -0.17500 -1.0 2.0
   69    62    66    71   0.20800  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    45   7.00000 -1.0 2.0
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
   37    30    35    36  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   40    45    39    38   1.10000 -1.0 2.0
   48    50    49    51   1.10000 -1.0 2.0
   52    64    51    49   1.10000 -1.0 2.0
   51    54    52    53  10.50000 -1.0 2.0
   55    74    57    58   1.10000 -1.0 2.0
   59    62    58    57   1.10000 -1.0 2.0
END
