* LIGAND DATABASE FILE (OPLS2005)
*
001      82    82    146    206     418
    1     0 S   NP   _N1_     1    28.82077    98.33289   -18.52786
    2     1 S   H    _HN1     2     1.02947    65.54403   -12.09980
    3     1 S   H    _H1_     3     1.02842    53.44949   125.74667
    4     1 S   H    _H2_     4     1.02784    90.28850  -122.09083
    5     1 S   CT   _CA1     5     1.50114   156.72742    73.13307
    6     5 S   HC   _HA1     6     1.09591   105.20770   102.57524
    7     5 S   CO3  _C1_     7     1.53869   111.99470   -17.32668
    8     7 S   O2Z  _O11     8     1.26348   115.05879   -54.20892
    9     7 S   O2Z  _O12     9     1.26279   114.95470   124.66083
   10     5 S   CT   _CB1    10     1.53170   107.33689  -139.89300
   11    10 S   HC   HB11    11     1.09820   109.47317   -51.85143
   12    10 S   HC   HB12    12     1.09803   110.50477    64.80959
   13    10 S   CT   _CG1    13     1.52898   112.35426  -172.84736
   14    13 S   HC   HG11    14     1.09316   110.00007   -64.35767
   15    13 S   HC   HG12    15     1.09645   109.95882    54.71107
   16    13 S   C    _CD1    16     1.51773   112.60907   175.87716
   17    16 S   O    _OE1    17     1.22749   123.23426     7.34874
   18    16 S   N    _N2_    18     1.38634   111.79720  -173.08460
   19    18 S   H    _HN2    19     1.01545   118.88931     5.04613
   20    18 S   CT1  _CA2    20     1.45766   122.72503   176.99222
   21    20 S   HC   _HA2    21     1.09713   108.87850    27.45336
   22    20 S   C    _C2_    22     1.52963   106.75419   -89.63734
   23    22 S   O    _O2_    23     1.22982   122.99012   -28.64848
   24    20 S   CT   _CB2    32     1.53160   112.57056   151.00729
   25    24 S   HC   HB21    33     1.09512   110.47495    55.33814
   26    24 S   HC   HB22    34     1.09565   110.15702   172.80625
   27    22 S   N    _N3_    24     1.38473   112.57765   154.27706
   28    27 S   H    _HN3    25     1.01650   120.39177    -2.38803
   29    24 S   S    _SG2    35     1.82866   111.90115   -68.62908
   30    27 S   CT   _CA3    26     1.45361   122.49296   178.54116
   31    30 S   HC   HA31    27     1.09566   107.84223   -55.28823
   32    30 S   HC   HA32    28     1.09562   107.58773    61.05752
   33    29 S   CT   _C11    36     1.83952   100.17470   125.01535
   34    33 S   HC   _H3_    37     1.09732   106.76391    43.69809
   35    30 S   CO3  _C3_    29     1.52895   114.29773  -177.19488
   36    35 S   O2Z  _O31    30     1.26340   116.04524     0.52190
   37    35 S   O2Z  _O32    31     1.26433   114.41762  -179.53019
   38    33 S   CA   _C12    38     1.52108   111.45113   -75.90016
   39    33 S   CT   _C10    58     1.53802   108.97968   159.08220
   40    39 S   HC   _H17    59     1.09707   112.33450    61.13543
   41    39 S   HC   _H18    60     1.09726   111.36609   -58.06711
   42    38 S   CA   _C13    39     1.40667   119.39225   115.62135
   43    42 S   HA   _H19    40     1.08649   118.26422    -0.96469
   44    39 S   CO4  _C9_    61     1.51175   110.21559  -176.61736
   45    44 S   O    _O34    62     1.22389   123.90690    67.09612
   46    42 S   CA   _C14    41     1.39713   120.94077   178.64853
   47    44 S   OS   _O33    63     1.36366   109.98771  -109.60313
   48    46 S   CA   _C15    42     1.39900   118.66886     0.26244
   49    46 S   OS   _O37    53     1.37009   125.19803  -179.66254
   50    47 S   CT   _C8_    64     1.44309   116.90880   171.15071
   51    50 S   HC   _H15    65     1.09344   106.17117   155.87194
   52    50 S   HC   _H16    66     1.09447   110.03231    39.62187
   53    48 S   CA   _C16    43     1.40009   121.60823    -0.80186
   54    48 S   OH   _O36    51     1.37315   118.54912   178.71397
   55    54 S   HO   _H24    52     0.97683   107.66696  -165.73232
   56    49 S   CT   _C19    54     1.42217   117.21734    -0.34548
   57    56 S   HC   _H25    55     1.09425   107.74895  -179.74899
   58    56 S   HC   _H26    56     1.09505   111.09173    62.55155
   59    56 S   HC   _H27    57     1.09501   111.15276   -61.99357
   60    50 S   CT   _C7_    67     1.52686   108.47732   -84.41037
   61    60 S   HC   _H13    68     1.09628   110.46237    61.05195
   62    60 S   HC   _H14    69     1.09682   109.91956   -57.13206
   63    38 S   CA   _C17    44     1.40603   121.49060   -65.92743
   64    63 S   HA   _H20    45     1.08599   118.60177     1.08787
   65    53 S   OS   _O35    46     1.36943   115.70330  -178.59612
   66    60 S   NP   _N4_    70     1.53282   114.58238  -177.99787
   67    65 S   CT   _C18    47     1.42236   117.14384  -173.51106
   68    67 S   HC   _H21    48     1.09418   107.75414   176.50621
   69    67 S   HC   _H22    49     1.09515   111.22531    58.65533
   70    67 S   HC   _H23    50     1.09482   111.00961   -65.84647
   71    66 S   CT   _C4_    71     1.52356   111.37344   -61.91530
   72    71 S   HC   _H4_    72     1.09381   108.46823   -53.07401
   73    71 S   HC   _H5_    73     1.09280   108.95186    67.63435
   74    71 S   HC   _H6_    74     1.09430   108.38746  -173.04658
   75    66 S   CT   _C5_    75     1.52329   111.53373    61.09500
   76    75 S   HC   _H7_    76     1.09379   108.46488    52.98825
   77    75 S   HC   _H8_    77     1.09432   108.39713   172.96625
   78    75 S   HC   _H9_    78     1.09286   108.94870   -67.74198
   79    66 S   CT   _C6_    79     1.53369   107.51028   179.60683
   80    79 S   HC   _H10    80     1.09419   108.40712   -60.11100
   81    79 S   HC   _H11    81     1.09423   108.41074    59.97984
   82    79 S   HC   _H12    82     1.09409   108.52263   179.92598
  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
  14   7   2   1   1  13   8   4   3   9   4   6   2  11   7   9
   6   9   5   4   9   3   1   3   2   1   1  15   5   4   3   1
   4  12   3   2   1   1  11   4   3   2   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    63    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    53    63    64    39    40    41    44    45    47  
   38    42    63    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    48    53    63    64    65    49    39    40    41    44  
   40    41    44    45    47    50    42    63  
   41    44    45    47  
   44    45    47  
   43    46    48    53    63    64    54    49    56  
   46    48    63    49  
   45    47    50    51    52    60  
   47    50  
   48    53    63    65    54    55    49    56    57    58    59  
   50    51    52    60    61    62    66  
   53    63    64    65    67    54    55    49    56  
   56    57    58    59    53    54  
   51    52    60    61    62    66    71    75    79  
   52    60    61    62    66  
   60    61    62    66  
   63    64    65    67    68    69    70    54    55  
   55    63    65  
    0  
   57    58    59  
   58    59  
   59  
    0  
   61    62    66    71    72    73    74    75    76    77    78    79    80    81    82  
   62    66    71    75    79  
   66    71    75    79  
   64    65    67  
   65  
   67    68    69    70  
   71    72    73    74    75    76    77    78    79    80    81    82  
   68    69    70  
   69    70  
   70  
    0  
   72    73    74    75    76    77    78    79    80    81    82  
   73    74    75    79  
   74    75    79  
   75    79  
   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   0.222500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.414400   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.221900   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.2500   0.1700   0.510000   2.0080   1.7800   0.003973653   1.685851020
   67   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.057500   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.057500   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.057500   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.6450   1.4500   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    39   268.000  1.529
   38    42   469.000  1.400
   38    63   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    48   469.000  1.400
   46    49   450.000  1.364
   48    53   469.000  1.400
   48    54   450.000  1.364
   53    63   469.000  1.400
   53    65   450.000  1.364
   63    64   367.000  1.080
   65    67   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   54    55   553.000  0.945
   49    56   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    47   214.000  1.327
   47    50   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   367.000  1.471
   66    71   367.000  1.471
   66    75   367.000  1.471
   66    79   367.000  1.471
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   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
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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    63    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    63    53    63.00000  120.00000
   38    63    64    35.00000  120.00000
   42    46    48    63.00000  120.00000
   42    46    49    70.00000  120.00000
   46    42    43    35.00000  120.00000
   46    48    53    63.00000  120.00000
   46    48    54    70.00000  120.00000
   46    49    56    75.00000  111.00000
   48    53    63    63.00000  120.00000
   48    53    65    70.00000  120.00000
   48    54    55    35.00000  113.00000
   53    63    64    35.00000  120.00000
   53    65    67    75.00000  111.00000
   63    38    42    63.00000  120.00000
   65    53    63    70.00000  120.00000
   65    67    68    35.00000  109.50000
   65    67    69    35.00000  109.50000
   65    67    70    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   54    48    53    70.00000  120.00000
   49    46    48    70.00000  120.00000
   49    56    57    35.00000  109.50000
   49    56    58    35.00000  109.50000
   49    56    59    35.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    47    81.00000  111.40000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    47    50    83.00000  116.90000
   47    44    45    83.00000  123.40000
   47    50    51    35.00000  109.50000
   47    50    52    35.00000  109.50000
   47    50    60    50.00000  109.50000
   50    60    61    37.50000  110.70000
   50    60    62    37.50000  110.70000
   50    60    66    80.00000  111.20000
   52    50    51    33.00000  107.80000
   60    50    51    37.50000  110.70000
   60    50    52    37.50000  110.70000
   60    66    71    75.00000  113.01200
   60    66    75    75.00000  113.01200
   60    66    79    75.00000  113.01200
   62    60    61    33.00000  107.80000
   66    60    61    35.00000  109.50000
   66    60    62    35.00000  109.50000
   66    71    72    35.00000  109.50000
   66    71    73    35.00000  109.50000
   66    71    74    35.00000  109.50000
   66    75    76    35.00000  109.50000
   66    75    77    35.00000  109.50000
   66    75    78    35.00000  109.50000
   66    79    80    35.00000  109.50000
   66    79    81    35.00000  109.50000
   66    79    82    35.00000  109.50000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   75    66    71    75.00000  113.01200
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   79    66    71    75.00000  113.01200
   79    66    75    75.00000  113.01200
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    63  -0.16000  1.0 1.0
   29    33    38    63  -0.03200 -1.0 2.0
   29    33    38    63   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    63    53   3.62500 -1.0 2.0
   33    38    63    64   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    47   0.36750  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    63   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    48   3.62500 -1.0 2.0
   38    42    46    49   3.62500 -1.0 2.0
   42    38    63    53   3.62500 -1.0 2.0
   42    38    63    64   3.62500 -1.0 2.0
   42    46   -48    53   3.62500 -1.0 2.0
   42    46    48    54   3.62500 -1.0 2.0
   42    46    49    56   1.63200 -1.0 2.0
   43    42    46    48   3.62500 -1.0 2.0
   43    42    46    49   3.62500 -1.0 2.0
   46    48    53    63   3.62500 -1.0 2.0
   46    48    53    65   3.62500 -1.0 2.0
   46    48    54    55   0.84100 -1.0 2.0
   46    49    56    57   0.08050  1.0 3.0
   46    49    56    58   0.08050  1.0 3.0
   46    49    56    59   0.08050  1.0 3.0
   48    46    49    56   1.63200 -1.0 2.0
   48    53   -63    38   3.62500 -1.0 2.0
   48    53    63    64   3.62500 -1.0 2.0
   48    53    65    67   1.63200 -1.0 2.0
   53    48    54    55   0.84100 -1.0 2.0
   53    65    67    68   0.08050  1.0 3.0
   53    65    67    69   0.08050  1.0 3.0
   53    65    67    70   0.08050  1.0 3.0
   63    38    42    43   3.62500 -1.0 2.0
   63    38   -42    46   3.62500 -1.0 2.0
   63    53    65    67   1.63200 -1.0 2.0
   65    53    63    38   3.62500 -1.0 2.0
   65    53    63    64   3.62500 -1.0 2.0
   54    48    53    63   3.62500 -1.0 2.0
   54    48    53    65   3.62500 -1.0 2.0
   49    46    48    53   3.62500 -1.0 2.0
   49    46    48    54   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    63   0.04150 -1.0 2.0
   39    44    47    50   1.63150  1.0 1.0
   39    44    47    50   2.92000 -1.0 2.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    47   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    47   0.00000  1.0 1.0
   44    47    50    51   0.08050  1.0 3.0
   44    47    50    52   0.08050  1.0 3.0
   44    47    50    60  -0.25900  1.0 1.0
   44    47    50    60  -0.47000 -1.0 2.0
   44    47    50    60   0.11750  1.0 3.0
   45    44    47    50   3.00000 -1.0 2.0
   47    50    60    61   0.23400  1.0 3.0
   47    50    60    62   0.23400  1.0 3.0
   47    50    60    66   1.69300  1.0 1.0
   47    50    60    66  -0.48450 -1.0 2.0
   50    60    66    71   0.47100  1.0 1.0
   50    60    66    75   0.47100  1.0 1.0
   50    60    66    79   0.47100  1.0 1.0
   51    50    60    61   0.15000  1.0 3.0
   51    50    60    62   0.15000  1.0 3.0
   51    50    60    66   0.19200  1.0 3.0
   52    50    60    61   0.15000  1.0 3.0
   52    50    60    62   0.15000  1.0 3.0
   52    50    60    66   0.19200  1.0 3.0
   60    66    71    72   0.15000  1.0 3.0
   60    66    71    73   0.15000  1.0 3.0
   60    66    71    74   0.15000  1.0 3.0
   60    66    75    76   0.15000  1.0 3.0
   60    66    75    77   0.15000  1.0 3.0
   60    66    75    78   0.15000  1.0 3.0
   60    66    79    80   0.15000  1.0 3.0
   60    66    79    81   0.15000  1.0 3.0
   60    66    79    82   0.15000  1.0 3.0
   61    60    66    71   0.15000  1.0 3.0
   61    60    66    75   0.15000  1.0 3.0
   61    60    66    79   0.15000  1.0 3.0
   62    60    66    71   0.15000  1.0 3.0
   62    60    66    75   0.15000  1.0 3.0
   62    60    66    79   0.15000  1.0 3.0
   71    66    75    76   0.15000  1.0 3.0
   71    66    75    77   0.15000  1.0 3.0
   71    66    75    78   0.15000  1.0 3.0
   71    66    79    80   0.15000  1.0 3.0
   71    66    79    81   0.15000  1.0 3.0
   71    66    79    82   0.15000  1.0 3.0
   75    66    71    72   0.15000  1.0 3.0
   75    66    71    73   0.15000  1.0 3.0
   75    66    71    74   0.15000  1.0 3.0
   75    66    79    80   0.15000  1.0 3.0
   75    66    79    81   0.15000  1.0 3.0
   75    66    79    82   0.15000  1.0 3.0
   79    66    71    72   0.15000  1.0 3.0
   79    66    71    73   0.15000  1.0 3.0
   79    66    71    74   0.15000  1.0 3.0
   79    66    75    76   0.15000  1.0 3.0
   79    66    75    77   0.15000  1.0 3.0
   79    66    75    78   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   42    63    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   48    49    46    42   4.00000 -1.0 2.0
   53    54    48    46   4.00000 -1.0 2.0
   63    65    53    48   4.00000 -1.0 2.0
   53    64    63    38   1.10000 -1.0 2.0
   39    47    44    45  10.50000 -1.0 2.0
END
