* LIGAND DATABASE FILE (OPLS2005)
*
001      86    86    148    217     428
    1     0 S   NP   _N1_     1    28.67119    98.13265   -22.90796
    2     1 S   H    _HN1     2     1.02828    46.30273   162.34766
    3     1 S   H    _H1_     3     1.02792   107.80435   -99.63122
    4     1 S   H    _H2_     4     1.02954    63.13578     2.32330
    5     1 S   CT   _CA1     5     1.50141   139.06962    93.02926
    6     5 S   HC   _HA1     6     1.09575   105.18544   105.52444
    7     5 S   CO3  _C1_     7     1.53762   112.36449   -14.66038
    8     7 S   O2Z  _O11     8     1.26370   115.01192   -44.58503
    9     7 S   O2Z  _O12     9     1.26234   114.93206   134.36269
   10     5 S   CT   _CB1    10     1.53048   107.36692  -136.60415
   11    10 S   HC   HB11    11     1.09840   109.27939   -50.15146
   12    10 S   HC   HB12    12     1.09815   110.46110    66.37354
   13    10 S   CT   _CG1    13     1.53040   112.72781  -171.17034
   14    13 S   HC   HG11    14     1.09580   110.62871   -66.26499
   15    13 S   HC   HG12    15     1.09659   109.84232    53.02426
   16    13 S   C    _CD1    16     1.51802   112.01899   173.37327
   17    16 S   O    _OE1    17     1.22759   123.14461     6.65811
   18    16 S   N    _N2_    18     1.38534   111.92387  -173.53086
   19    18 S   H    _HN2    19     1.01578   119.17729     1.97120
   20    18 S   CT1  _CA2    20     1.45985   122.83893   176.49412
   21    20 S   HC   _HA2    21     1.09659   110.02926    19.81801
   22    20 S   C    _C2_    22     1.52721   104.82678   -96.83548
   23    22 S   O    _O2_    23     1.22964   122.76720   -90.28355
   24    20 S   CT   _CB2    32     1.53175   111.60755   143.05313
   25    24 S   HC   HB21    33     1.09514   110.52334    47.89391
   26    24 S   HC   HB22    34     1.09422   109.45058   167.30090
   27    22 S   N    _N3_    24     1.38611   112.69435    85.78164
   28    27 S   H    _HN3    25     1.01707   119.72089     0.00000
   29    24 S   S    _SG2    35     1.83015   109.75920   -73.31737
   30    27 S   CT   _CA3    26     1.45318   122.49239  -178.77635
   31    30 S   HC   HA31    27     1.09568   107.19099   -66.49492
   32    30 S   HC   HA32    28     1.09558   108.36965    49.61775
   33    29 S   CT   _C11    36     1.89764   101.79527   172.18576
   34    33 S   OM   _O40    37     1.31940   105.47506   -75.18522
   35    30 S   CO3  _C3_    29     1.52789   113.72842   170.94390
   36    35 S   O2Z  _O31    30     1.26367   115.58678   -38.69184
   37    35 S   O2Z  _O32    31     1.26367   114.88679   141.77511
   38    33 S   CA   _C12    38     1.56263   109.97605    50.13680
   39    33 S   CM   _C10    69     1.54369   107.00765   174.17170
   40    39 S   HC   _H10    70     1.09496   113.84416     3.77502
   41    38 S   CA   _C13    39     1.43494   121.51179    67.92931
   42    39 S   CMA  _C9_    71     1.36083   132.61159  -175.28096
   43    42 S   OM   _O41    72     1.26545   127.90440   177.01699
   44    41 S   CA   _C14    40     1.41736   120.31152   175.92585
   45    44 S   HA   _H11    41     1.08862   119.37242  -179.74666
   46    41 S   CT   _C18    50     1.52041   125.54884    -8.19707
   47    46 S   HC   _H15    51     1.09765   109.31173   143.09265
   48    46 S   HC   _H16    52     1.08688   112.92646    26.01378
   49    42 S   CT   _C8_    73     1.52314   121.51003    -2.33297
   50    49 S   HC   _H8_    74     1.09173   110.74613    37.79451
   51    49 S   HC   _H9_    75     1.09993   112.63249   154.51246
   52    44 S   CA   _C15    42     1.38540   121.32617     1.92132
   53    46 S   CO4  _C19    53     1.52507   112.98672   -97.17472
   54    53 S   O    _O37    54     1.23160   122.13892   -12.28846
   55    49 S   CO4  _C7_    76     1.53034   112.92435   -84.11042
   56    55 S   O    _O34    77     1.23124   122.98408   -31.96314
   57    52 S   CA   _C16    43     1.38000   120.02935     0.87021
   58    57 S   HA   _H12    44     1.08662   119.46581   178.43327
   59    52 S   OH   _O36    48     1.36493   121.38659   179.62051
   60    59 S   HO   _H14    49     0.97244   108.48989    -0.10835
   61    53 S   CT   _C20    55     1.53212   115.27431   167.49364
   62    61 S   HC   _H17    56     1.09908   108.20400    48.48595
   63    61 S   HC   _H18    57     1.09828   107.31314   -65.79421
   64    55 S   CT   _C6_    78     1.51314   115.63050   152.44453
   65    64 S   HC   _H6_    79     1.09534   108.02122    69.79539
   66    64 S   HC   _H7_    80     1.09361   109.78485   -47.57485
   67    38 S   CA   _C17    45     1.42883   122.90191  -112.14820
   68    61 S   CMA  _C21    58     1.52761   112.49477   172.77955
   69    68 S   OM   _O39    59     1.26230   111.48493   -96.28517
   70    64 S   CO4  _C5_    81     1.50971   114.59524  -168.98172
   71    70 S   O    _O33    82     1.23135   121.38971  -109.44324
   72    67 S   OH   _O35    46     1.37466   121.28544     4.44810
   73    72 S   HO   _H13    47     0.97074   109.80675   178.77459
   74    68 S   CM   _C22    60     1.35192   115.95940    84.02766
   75    74 S   HC   _H19    61     1.08753   119.19011    -0.25179
   76    70 S   CT   _C4_    83     1.50664   117.29357    70.77587
   77    76 S   HC   _H3_    84     1.09274   109.63077    56.04972
   78    76 S   HC   _H4_    85     1.09195   110.07742   -65.40067
   79    76 S   HC   _H5_    86     1.09370   109.54076   175.05015
   80    74 S   CO4  _C23    62     1.49089   124.28709  -178.54572
   81    80 S   O    _O38    63     1.22193   125.22009    -3.23555
   82    80 S   S    _S1_    64     1.76367   112.27320   176.93388
   83    82 S   CT   _C24    65     1.80540   100.21481  -162.53999
   84    83 S   HC   _H20    66     1.09305   109.32864   178.81799
   85    83 S   HC   _H21    67     1.09337   110.42786    59.42255
   86    83 S   HC   _H22    68     1.09331   110.60431   -61.88199
  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   8   5   4   3
  13   6   2   1   1  16   9   3  13   7   4  11   4  10   4   3
   8   4   3   6   7   4   7   4   6   3   2   1   7   4   3   8
   4   3   2   6   3   5   4   1   1   5   3   3   2   1   1   6
   2   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    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    41    67    39    40    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    44    57    67    72    46    39    40    42    43    49  
   38    41    67    39    40    42  
   36    37  
   37  
    0  
   41    44    45    52    57    58    67    72    73    46    47    48    53    39    40    42  
   40    42    43    49    50    51    55    41    67  
   42    43    49  
   44    45    52    57    67    72    59    46    47    48    53    54    61  
   43    49    50    51    55    56    64  
   49    50    51    55  
   45    52    57    58    67    59    60    46    47    48    53  
   52    57    59    46  
   47    48    53    54    61    62    63    68    52    67  
   48    53    54    61  
   53    54    61  
   50    51    55    56    64    65    66    70  
   51    55    56    64  
   55    56    64  
   57    58    67    72    59    60  
   54    61    62    63    68    69    74  
   61    62    63    68  
   56    64    65    66    70    71    76  
   64    65    66    70  
   58    67    72    73    59    60  
   67    72    59  
   60    67  
    0  
   62    63    68    69    74    75    80  
   63    68    69    74  
   68    69    74  
   65    66    70    71    76    77    78    79  
   66    70    71    76  
   70    71    76  
   72    73  
   69    74    75    80    81    82  
   74    75    80  
   71    76    77    78    79  
   76    77    78    79  
   73  
    0  
   75    80    81    82    83  
   80    81    82  
   77    78    79  
   78    79  
   79  
    0  
   81    82    83    84    85    86  
   82    83  
   83    84    85    86  
   84    85    86  
   85    86  
   86  
    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  -0.175000   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   4.2000   0.3000   0.102500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   53   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   69   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   70   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.6000   0.3550  -0.219900   2.0300   1.8000   0.025682759  -1.666211680
   83   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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   570.000  1.307
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    67   469.000  1.400
   41    44   469.000  1.400
   41    46   317.000  1.510
   44    45   367.000  1.080
   44    52   469.000  1.400
   52    57   469.000  1.400
   52    59   450.000  1.364
   57    58   367.000  1.080
   57    67   469.000  1.400
   67    72   450.000  1.364
   72    73   553.000  0.945
   59    60   553.000  0.945
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    53   317.000  1.522
   53    54   570.000  1.229
   53    61   317.000  1.522
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    68   270.000  1.512
   68    69   745.000  1.250
   68    74   465.000  1.376
   74    75   340.000  1.080
   74    80   320.000  1.462
   80    81   570.000  1.229
   80    82   210.000  1.799
   82    83   222.000  1.810
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   39    40   340.000  1.080
   39    42   465.000  1.376
   42    43   745.000  1.250
   42    49   270.000  1.512
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    55   317.000  1.522
   55    56   570.000  1.229
   55    64   317.000  1.522
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    70   317.000  1.522
   70    71   570.000  1.229
   70    76   317.000  1.522
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   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    85.00000  114.68000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    67    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    42    70.00000  124.00000
   38    33    34    85.00000  111.85700
   38    41    44    63.00000  120.00000
   38    41    46    70.00000  120.00000
   38    67    57    63.00000  120.00000
   38    67    72    70.00000  120.00000
   41    44    45    35.00000  120.00000
   41    44    52    63.00000  120.00000
   41    46    47    35.00000  109.50000
   41    46    48    35.00000  109.50000
   41    46    53    70.00000  110.93000
   44    52    57    63.00000  120.00000
   44    52    59    70.00000  120.00000
   52    44    45    35.00000  120.00000
   52    57    58    35.00000  120.00000
   52    57    67    63.00000  120.00000
   52    59    60    35.00000  113.00000
   57    67    72    70.00000  120.00000
   67    38    41    63.00000  120.00000
   67    57    58    35.00000  120.00000
   67    72    73    35.00000  113.00000
   59    52    57    70.00000  120.00000
   46    41    44    70.00000  120.00000
   46    53    54    80.00000  120.40000
   46    53    61    70.00000  116.00000
   48    46    47    33.00000  107.80000
   53    46    47    35.00000  109.50000
   53    46    48    35.00000  109.50000
   53    61    62    35.00000  109.50000
   53    61    63    35.00000  109.50000
   53    61    68    70.00000  109.06800
   61    53    54    80.00000  120.40000
   61    68    69    85.00000  112.85300
   61    68    74    65.00000  122.18000
   63    61    62    33.00000  107.80000
   68    61    62    45.00000  110.52000
   68    61    63    45.00000  110.52000
   68    74    75    40.00000  120.50800
   68    74    80    60.00000  125.92000
   74    68    69    65.00000  137.10300
   74    80    81    80.00000  123.72100
   74    80    82    65.00000  119.00000
   80    74    75    40.00000  117.72500
   80    82    83    90.00000   96.72000
   82    80    81    80.00000  121.30200
   82    83    84    35.00000  109.50000
   82    83    85    35.00000  109.50000
   82    83    86    35.00000  109.50000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   39    33    34    85.00000  110.90400
   39    33    38    70.00000  112.99600
   39    42    43    65.00000  137.10300
   39    42    49    65.00000  122.18000
   42    39    40    40.00000  120.50800
   42    49    50    45.00000  110.52000
   42    49    51    45.00000  110.52000
   42    49    55    70.00000  109.06800
   49    42    43    85.00000  112.85300
   49    55    56    80.00000  120.40000
   49    55    64    70.00000  116.00000
   51    49    50    33.00000  107.80000
   55    49    50    35.00000  109.50000
   55    49    51    35.00000  109.50000
   55    64    65    35.00000  109.50000
   55    64    66    35.00000  109.50000
   55    64    70    75.00000  107.99600
   64    55    56    80.00000  120.40000
   64    70    71    80.00000  120.40000
   64    70    76    70.00000  116.00000
   66    64    65    33.00000  107.80000
   70    64    65    35.00000  109.50000
   70    64    66    35.00000  109.50000
   70    76    77    35.00000  109.50000
   70    76    78    35.00000  109.50000
   70    76    79    35.00000  109.50000
   76    70    71    80.00000  120.40000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    67  -0.16000  1.0 1.0
   29    33    38    67  -0.03200 -1.0 2.0
   29    33    38    67   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    42   0.42700  1.0 1.0
   29    33    39    42  -0.70350 -1.0 2.0
   29    33    39    42  -0.43150  1.0 3.0
   33    38    41    44   3.62500 -1.0 2.0
   33    38    41    46   3.62500 -1.0 2.0
   33    38    67    57   3.62500 -1.0 2.0
   33    38    67    72   3.62500 -1.0 2.0
   33    39    42    43   7.00000 -1.0 2.0
   33    39    42    49   7.00000 -1.0 2.0
   34    33    38    41   0.64500  1.0 1.0
   34    33    38    41   0.14800 -1.0 2.0
   34    33    38    41   0.20650  1.0 3.0
   34    33    38    67   0.64500  1.0 1.0
   34    33    38    67   0.14800 -1.0 2.0
   34    33    38    67   0.20650  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    42   0.39000  1.0 1.0
   34    33    39    42  -0.05800 -1.0 2.0
   34    33    39    42  -0.55150  1.0 3.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    42   1.44450  1.0 1.0
   38    33    39    42   0.06600 -1.0 2.0
   38    33    39    42   0.29250  1.0 3.0
   38    41    44    45   3.62500 -1.0 2.0
   38    41    44    52   3.62500 -1.0 2.0
   38    41    46    47   0.00000  1.0 1.0
   38    41    46    48   0.00000  1.0 1.0
   38    41    46    53   0.04300 -1.0 2.0
   38    67    72    73   0.84100 -1.0 2.0
   41    38    67    57   3.62500 -1.0 2.0
   41    38    67    72   3.62500 -1.0 2.0
   41    44   -52    57   3.62500 -1.0 2.0
   41    44    52    59   3.62500 -1.0 2.0
   41    46    53    54   0.30150 -1.0 2.0
   41    46    53    61   0.65300  1.0 1.0
   41    46    53    61  -0.03850 -1.0 2.0
   41    46    53    61   0.33900  1.0 3.0
   44    41    46    47   0.00000  1.0 1.0
   44    41    46    48   0.00000  1.0 1.0
   44    41    46    53   0.04300 -1.0 2.0
   44    52    57    58   3.62500 -1.0 2.0
   44    52    57    67   3.62500 -1.0 2.0
   44    52    59    60   0.84100 -1.0 2.0
   45    44    52    57   3.62500 -1.0 2.0
   45    44    52    59   3.62500 -1.0 2.0
   52    57   -67    38   3.62500 -1.0 2.0
   52    57    67    72   3.62500 -1.0 2.0
   57    52    59    60   0.84100 -1.0 2.0
   57    67    72    73   0.84100 -1.0 2.0
   58    57    67    38   3.62500 -1.0 2.0
   58    57    67    72   3.62500 -1.0 2.0
   67    38   -41    44   3.62500 -1.0 2.0
   67    38    41    46   3.62500 -1.0 2.0
   59    52    57    58   3.62500 -1.0 2.0
   59    52    57    67   3.62500 -1.0 2.0
   46    41    44    45   3.62500 -1.0 2.0
   46    41    44    52   3.62500 -1.0 2.0
   46    53    61    62   0.00000  1.0 1.0
   46    53    61    63   0.00000  1.0 1.0
   46    53    61    68   0.65300  1.0 1.0
   46    53    61    68  -0.03850 -1.0 2.0
   46    53    61    68   0.33900  1.0 3.0
   47    46    53    54   0.00000  1.0 1.0
   47    46    53    61   0.00000  1.0 1.0
   48    46    53    54   0.00000  1.0 1.0
   48    46    53    61   0.00000  1.0 1.0
   53    61    68    69   0.09700  1.0 1.0
   53    61    68    69   0.15600 -1.0 2.0
   53    61    68    69  -0.50800  1.0 3.0
   53    61    68    74  -0.51250  1.0 1.0
   53    61    68    74  -0.88800 -1.0 2.0
   53    61    68    74   0.08850  1.0 3.0
   54    53    61    62   0.00000  1.0 1.0
   54    53    61    63   0.00000  1.0 1.0
   54    53    61    68   0.30150 -1.0 2.0
   61    68    74    75   7.00000 -1.0 2.0
   61    68    74    80   7.00000 -1.0 2.0
   62    61    68    69   0.00000  1.0 1.0
   62    61    68    74   0.00000  1.0 1.0
   63    61    68    69   0.00000  1.0 1.0
   63    61    68    74   0.00000  1.0 1.0
   68    74    80    81   1.00000 -1.0 2.0
   68    74    80    82   0.50400  1.0 1.0
   68    74    80    82   1.60000 -1.0 2.0
   68    74    80    82  -0.01800  1.0 3.0
   69    68    74    75   7.00000 -1.0 2.0
   69    68    74    80   7.00000 -1.0 2.0
   74    80    82    83  -0.11550  1.0 1.0
   74    80    82    83   1.88700 -1.0 2.0
   75    74    80    81   0.00000  1.0 1.0
   75    74    80    82   0.92800 -1.0 2.0
   80    82    83    84   0.24000  1.0 3.0
   80    82    83    85   0.24000  1.0 3.0
   80    82    83    86   0.24000  1.0 3.0
   81    80    82    83  -0.11550  1.0 1.0
   81    80    82    83   1.88700 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    67   0.18050 -1.0 2.0
   39    42    49    50   0.00000  1.0 1.0
   39    42    49    51   0.00000  1.0 1.0
   39    42    49    55  -0.51250  1.0 1.0
   39    42    49    55  -0.88800 -1.0 2.0
   39    42    49    55   0.08850  1.0 3.0
   40    39    42    43   7.00000 -1.0 2.0
   40    39    42    49   7.00000 -1.0 2.0
   42    49    55    56   0.30150 -1.0 2.0
   42    49    55    64   0.65300  1.0 1.0
   42    49    55    64  -0.03850 -1.0 2.0
   42    49    55    64   0.33900  1.0 3.0
   43    42    49    50   0.00000  1.0 1.0
   43    42    49    51   0.00000  1.0 1.0
   43    42    49    55   0.09700  1.0 1.0
   43    42    49    55   0.15600 -1.0 2.0
   43    42    49    55  -0.50800  1.0 3.0
   49    55    64    65   0.00000  1.0 1.0
   49    55    64    66   0.00000  1.0 1.0
   49    55    64    70   0.65300  1.0 1.0
   49    55    64    70  -0.03850 -1.0 2.0
   49    55    64    70   0.33900  1.0 3.0
   50    49    55    56   0.00000  1.0 1.0
   50    49    55    64   0.00000  1.0 1.0
   51    49    55    56   0.00000  1.0 1.0
   51    49    55    64   0.00000  1.0 1.0
   55    64    70    71   0.30150 -1.0 2.0
   55    64    70    76   0.65300  1.0 1.0
   55    64    70    76  -0.03850 -1.0 2.0
   55    64    70    76   0.33900  1.0 3.0
   56    55    64    65   0.00000  1.0 1.0
   56    55    64    66   0.00000  1.0 1.0
   56    55    64    70   0.30150 -1.0 2.0
   64    70    76    77   0.00000  1.0 1.0
   64    70    76    78   0.00000  1.0 1.0
   64    70    76    79   0.00000  1.0 1.0
   65    64    70    71   0.00000  1.0 1.0
   65    64    70    76   0.00000  1.0 1.0
   66    64    70    71   0.00000  1.0 1.0
   66    64    70    76   0.00000  1.0 1.0
   71    70    76    77   0.00000  1.0 1.0
   71    70    76    78   0.00000  1.0 1.0
   71    70    76    79   0.00000  1.0 1.0
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
   41    67    38    33   4.00000 -1.0 2.0
   44    46    41    38   4.00000 -1.0 2.0
   52    45    44    41   1.10000 -1.0 2.0
   57    59    52    44   4.00000 -1.0 2.0
   67    58    57    52   1.10000 -1.0 2.0
   57    72    67    38   4.00000 -1.0 2.0
   46    61    53    54  10.50000 -1.0 2.0
   61    69    68    74  15.00000 -1.0 2.0
   80    75    74    68  15.00000 -1.0 2.0
   74    82    80    81  10.50000 -1.0 2.0
   33    40    39    42  15.00000 -1.0 2.0
   49    43    42    39  15.00000 -1.0 2.0
   49    64    55    56  10.50000 -1.0 2.0
   64    76    70    71  10.50000 -1.0 2.0
END
