* LIGAND DATABASE FILE (OPLS2005)
*
001      79    80    153    236     457
    1     0 S   NP   _N1_     1    28.74133    95.63354   -24.74839
    2     1 S   H    _HN1     2     1.02785   113.97130   -88.40422
    3     1 S   H    _H1_     3     1.02950    74.23454    15.05556
    4     1 S   H    _H2_     4     1.02828    33.30581  -174.70953
    5     1 S   CT   _CA1     5     1.50118   128.87738   118.79785
    6     5 S   HC   _HA1     6     1.09573   105.19084    91.82459
    7     5 S   CO3  _C1_     7     1.53782   112.45265   -28.39979
    8     7 S   O2Z  _O11     8     1.26372   115.00243   -42.65398
    9     7 S   O2Z  _O12     9     1.26239   114.94411   136.44642
   10     5 S   CT   _CB1    10     1.53075   107.41640  -150.20346
   11    10 S   HC   HB11    11     1.09834   109.35578   -49.75427
   12    10 S   HC   HB12    12     1.09812   110.45433    66.84674
   13    10 S   CT   _CG1    13     1.52993   112.61687  -170.73240
   14    13 S   HC   HG11    14     1.09582   110.63616   -65.90204
   15    13 S   HC   HG12    15     1.09670   109.78349    53.33402
   16    13 S   C    _CD1    16     1.51803   112.20092   173.77556
   17    16 S   O    _OE1    17     1.22734   123.27914     7.25980
   18    16 S   N    _N2_    18     1.38654   111.68817  -172.81324
   19    18 S   H    _HN2    19     1.01580   118.94142     1.61156
   20    18 S   CT1  _CA2    20     1.46195   123.38125   177.41343
   21    20 S   HC   _HA2    21     1.09737   109.34619     3.15095
   22    20 S   C    _C2_    22     1.53577   108.70947  -112.33603
   23    22 S   O    _O2_    23     1.23069   122.25577  -148.50192
   24    20 S   CT   _CB2    32     1.53345   111.59706   125.14323
   25    24 S   HC   HB21    33     1.09584   110.02429    56.15933
   26    24 S   HC   HB22    34     1.09409   109.98531   175.15831
   27    22 S   N    _N3_    24     1.38322   113.74344    38.97674
   28    27 S   H    _HN3    25     1.01581   119.58534    -3.36453
   29    24 S   S    _SG2    35     1.82810   111.47775   -64.65171
   30    27 S   CT   _CA3    26     1.45287   123.22957   177.12132
   31    30 S   HC   HA31    27     1.09552   107.51171   -64.51282
   32    30 S   HC   HA32    28     1.09559   107.98267    51.92610
   33    29 S   CT   _C10    36     1.84678    99.78862   174.86802
   34    33 S   HC   _H4_    37     1.09811   106.65197   -36.88304
   35    30 S   CO3  _C3_    29     1.52970   114.07558   173.91836
   36    35 S   O2Z  _O31    30     1.26379   116.06850    -0.74309
   37    35 S   O2Z  _O32    31     1.26429   114.41203   179.31901
   38    33 S   CT   _C9_    38     1.54220   108.90392    79.37419
   39    38 S   HC   _H14    39     1.09533   109.88325    59.55631
   40    38 S   HC   _H15    40     1.09404   109.14777   -56.99394
   41    38 S   CT   _C8_    41     1.54438   111.85990  -177.76410
   42    41 S   HC   _H3_    42     1.10070   107.11527    58.52532
   43    41 S   CT   _C7_    43     1.54439   109.97016   -55.27005
   44    43 S   HC   _H12    44     1.09500   110.72047   -66.83089
   45    43 S   HC   _H13    45     1.09620   110.24859   175.43893
   46    41 S   CT   _C11    55     1.58133   114.62277   176.48476
   47    43 S   CT   _C6_    46     1.52922   111.60044    55.05356
   48    47 S   HC   _H10    47     1.09878   108.10287    65.31622
   49    47 S   HC   _H11    48     1.09764   108.92423  -179.66780
   50    46 S   CT   _C12    56     1.55324   111.59369   -54.45616
   51    50 S   HC   _H5_    57     1.09618   110.16445    74.91953
   52    46 S   CT   _C18    76     1.54110   110.19353    68.40487
   53    52 S   HC   _H25    77     1.09147   112.39101  -168.29033
   54    52 S   HC   _H26    78     1.09479   111.47047    72.38000
   55    52 S   HC   _H27    79     1.09337   112.06015   -49.63517
   56    33 S   CT   _C5_    49     1.55597   113.33190  -155.32809
   57    56 S   Cl   Cl1_    50     1.81464   109.38012    65.65482
   58    50 S   CT   _C13    58     1.52773   112.63991  -162.72503
   59    58 S   HC   _H16    59     1.09792   109.45434   173.93282
   60    58 S   HC   _H17    60     1.09545   110.58210   -69.19711
   61    50 S   OH   _O34    74     1.43172   109.91527   -42.69751
   62    61 S   HO   _H24    75     0.97261   107.64560   175.09547
   63    56 S   CT   _C4_    51     1.53909   114.27228   -54.15032
   64    63 S   HC   _H7_    52     1.09516   112.25943    65.53269
   65    63 S   HC   _H8_    53     1.09406   112.12162   -55.42605
   66    63 S   HC   _H9_    54     1.09670   110.93951  -175.10075
   67    58 S   CT   _C14    61     1.52412   109.84115    53.83271
   68    67 S   Br   Br1_    62     1.95777   108.73018   178.57509
   69    67 S   HC   _H6_    63     1.09716   108.26118    66.25614
   70    67 S   CT   _C15    64     1.53986   112.51744   -55.05142
   71    46 S   OS   _O33    65     1.44338   103.80054  -173.50418
   72    70 S   CT   _C16    66     1.53734   115.13266   -75.40767
   73    72 S   HC   _H18    67     1.09591   110.84847   162.48663
   74    72 S   HC   _H19    68     1.09187   112.44052    42.44696
   75    72 S   HC   _H20    69     1.09562   111.89704   -77.37757
   76    70 S   CT   _C17    70     1.54278   109.82227   163.47998
   77    76 S   HC   _H21    71     1.09687   110.66357  -175.19739
   78    76 S   HC   _H22    72     1.09421   112.57281    63.76062
   79    76 S   HC   _H23    73     1.09649   110.81250   -57.79846
  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  10   5   4   3
  17   8   2   1   1  15   6   5  19   8  12   6   5  17   8   4
   3  15   8   7   3   2   1   5   4  11   6   5   3   1   3   2
   1   1  12   5   4   9   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    56    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    47    56    57    63  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    47    48    49    56    57    63    64    65    66    46  
   38    39    40    41    47    56    57    63  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    47    56    57    63    46    50    71    52  
   40    41    42    43    56    46  
   41    42    43    56    46  
   42    43    44    45    47    48    49    56    46    50    51    58    70    71    61    52    53    54    55  
   43    44    45    47    46    50    71    52  
   44    45    47    48    49    56    57    63    46    50    71    52  
   45    47    48    49    56    46  
   47    48    49    56    46  
   50    51    58    59    60    67    70    71    72    76    61    62    52    53    54    55    47  
   48    49    56    57    63    64    65    66  
   49    56    57    63  
   56    57    63  
   51    58    59    60    67    68    69    70    71    61    62    52    53    54    55  
   58    59    60    67    71    61    62    52  
   53    54    55    58    61    70    71  
   54    55    71  
   55    71  
   71  
   57    63    64    65    66  
   63    64    65    66  
   59    60    67    68    69    70    71    72    76    61    62  
   60    67    68    69    70    61  
   67    68    69    70    61  
   62    67    71  
    0  
   64    65    66  
   65    66  
   66  
    0  
   68    69    70    71    72    73    74    75    76    77    78    79  
   69    70    71    72    76  
   70    71    72    76  
   71    72    73    74    75    76    77    78    79  
   72    73    74    75    76    77    78    79  
   73    74    75    76    77    78    79  
   74    75    76  
   75    76  
   76  
   77    78    79  
   78    79  
   79  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   57   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   58   3.5000   0.0660  -0.009500   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.053000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.4700   0.4700  -0.203900   2.8000   2.5000   0.001000000  -0.686339560
   69   2.5000   0.0300   0.146400   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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   268.000  1.529
   33    56   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    46   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    56   268.000  1.529
   56    57   245.000  1.781
   56    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   46    50   268.000  1.529
   46    71   320.000  1.410
   46    52   268.000  1.529
   50    51   340.000  1.090
   50    58   268.000  1.529
   50    61   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    67   268.000  1.529
   67    68   245.000  1.990
   67    69   340.000  1.090
   67    70   268.000  1.529
   70    71   320.000  1.410
   70    72   268.000  1.529
   70    76   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   61    62   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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  111.63000
   29    33    56    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    56    47    58.35000  112.70000
   33    56    57    69.00000  109.80000
   33    56    63    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    58.35000  112.70000
   38    41    46    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    45    37.50000  110.70000
   41    43    47    58.35000  112.70000
   41    46    50    58.35000  112.70000
   41    46    71    50.00000  109.50000
   41    46    52    58.35000  112.70000
   43    41    42    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    56    58.35000  112.70000
   45    43    44    33.00000  107.80000
   47    43    44    37.50000  110.70000
   47    43    45    37.50000  110.70000
   47    56    57    69.00000  109.80000
   47    56    63    58.35000  112.70000
   49    47    48    33.00000  107.80000
   56    33    34    37.50000  110.70000
   56    33    38    58.35000  112.70000
   56    47    48    37.50000  110.70000
   56    47    49    37.50000  110.70000
   56    63    64    37.50000  110.70000
   56    63    65    37.50000  110.70000
   56    63    66    37.50000  110.70000
   63    56    57    69.00000  109.80000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   46    41    42    37.50000  110.70000
   46    41    43    58.35000  112.70000
   46    50    51    37.50000  110.70000
   46    50    58    58.35000  112.70000
   46    50    61    50.00000  109.50000
   46    71    70    60.00000  109.50000
   46    52    53    37.50000  110.70000
   46    52    54    37.50000  110.70000
   46    52    55    37.50000  110.70000
   50    58    59    37.50000  110.70000
   50    58    60    37.50000  110.70000
   50    58    67    58.35000  112.70000
   50    61    62    55.00000  108.50000
   58    50    51    37.50000  110.70000
   58    67    68    70.00000  109.17700
   58    67    69    37.50000  110.70000
   58    67    70    58.35000  112.70000
   60    58    59    33.00000  107.80000
   67    58    59    37.50000  110.70000
   67    58    60    37.50000  110.70000
   67    70    71    50.00000  109.50000
   67    70    72    58.35000  112.70000
   67    70    76    58.35000  112.70000
   69    67    68    51.00000  107.60000
   70    67    68    70.00000  109.17700
   70    67    69    37.50000  110.70000
   70    72    73    37.50000  110.70000
   70    72    74    37.50000  110.70000
   70    72    75    37.50000  110.70000
   70    76    77    37.50000  110.70000
   70    76    78    37.50000  110.70000
   70    76    79    37.50000  110.70000
   71    46    50    50.00000  109.50000
   72    70    71    50.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   76    70    71    50.00000  109.50000
   76    70    72    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   61    50    51    35.00000  109.50000
   61    50    58    50.00000  109.50000
   52    46    50    58.35000  112.70000
   52    46    71    50.00000  109.50000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    56    47   0.44750  1.0 1.0
   29    33    56    47  -0.17800 -1.0 2.0
   29    33    56    47   0.20200  1.0 3.0
   29    33    56    57   0.56750  1.0 1.0
   29    33    56    57  -0.07550 -1.0 2.0
   29    33    56    57   0.20000  1.0 3.0
   29    33    56    63   0.44750  1.0 1.0
   29    33    56    63  -0.17800 -1.0 2.0
   29    33    56    63   0.20200  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.56750  1.0 1.0
   33    38    41    43  -0.07550 -1.0 2.0
   33    38    41    43   0.20000  1.0 3.0
   33    38    41    46   0.56750  1.0 1.0
   33    38    41    46  -0.07550 -1.0 2.0
   33    38    41    46   0.20000  1.0 3.0
   33    56    63    64   0.15000  1.0 3.0
   33    56    63    65   0.15000  1.0 3.0
   33    56    63    66   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    56    47   0.15000  1.0 3.0
   34    33    56    57   0.27000  1.0 3.0
   34    33    56    63   0.15000  1.0 3.0
   38    33    56    47   0.56750  1.0 1.0
   38    33    56    47  -0.07550 -1.0 2.0
   38    33    56    47   0.20000  1.0 3.0
   38    33    56    57   0.35600  1.0 1.0
   38    33    56    57  -0.14650 -1.0 2.0
   38    33    56    57   0.33350  1.0 3.0
   38    33    56    63   0.56750  1.0 1.0
   38    33    56    63  -0.07550 -1.0 2.0
   38    33    56    63   0.20000  1.0 3.0
   38    41    43    44   0.15000  1.0 3.0
   38    41    43    45   0.15000  1.0 3.0
   38    41   -43    47   0.56750  1.0 1.0
   38    41   -43    47  -0.07550 -1.0 2.0
   38    41   -43    47   0.20000  1.0 3.0
   38    41    46    50   0.56750  1.0 1.0
   38    41    46    50  -0.07550 -1.0 2.0
   38    41    46    50   0.20000  1.0 3.0
   38    41    46    71   0.62750  1.0 1.0
   38    41    46    71  -0.30950 -1.0 2.0
   38    41    46    71   0.27300  1.0 3.0
   38    41    46    52   0.56750  1.0 1.0
   38    41    46    52  -0.07550 -1.0 2.0
   38    41    46    52   0.20000  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    46   0.15000  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    46   0.15000  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43    47    49   0.15000  1.0 3.0
   41    43    47    56   0.56750  1.0 1.0
   41    43    47    56  -0.07550 -1.0 2.0
   41    43    47    56   0.20000  1.0 3.0
   41    46    50    51   0.15000  1.0 3.0
   41    46    50    58   0.56750  1.0 1.0
   41    46    50    58  -0.07550 -1.0 2.0
   41    46    50    58   0.20000  1.0 3.0
   41    46    50    61   0.86500  1.0 1.0
   41    46    50    61  -0.17500 -1.0 2.0
   41    46    50    61   0.20800  1.0 3.0
   41    46    71    70   0.06250  1.0 1.0
   41    46    71    70  -0.01100 -1.0 2.0
   41    46    71    70   0.28050  1.0 3.0
   41    46    52    53   0.15000  1.0 3.0
   41    46    52    54   0.15000  1.0 3.0
   41    46    52    55   0.15000  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    45   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    46    50   0.15000  1.0 3.0
   42    41    46    71   0.23400  1.0 3.0
   42    41    46    52   0.15000  1.0 3.0
   43    41    46    50   0.56750  1.0 1.0
   43    41    46    50  -0.07550 -1.0 2.0
   43    41    46    50   0.20000  1.0 3.0
   43    41    46    71   0.62750  1.0 1.0
   43    41    46    71  -0.30950 -1.0 2.0
   43    41    46    71   0.27300  1.0 3.0
   43    41    46    52   0.56750  1.0 1.0
   43    41    46    52  -0.07550 -1.0 2.0
   43    41    46    52   0.20000  1.0 3.0
   43    47   -56    33   0.56750  1.0 1.0
   43    47   -56    33  -0.07550 -1.0 2.0
   43    47   -56    33   0.20000  1.0 3.0
   43    47    56    57   0.35600  1.0 1.0
   43    47    56    57  -0.14650 -1.0 2.0
   43    47    56    57   0.33350  1.0 3.0
   43    47    56    63   0.56750  1.0 1.0
   43    47    56    63  -0.07550 -1.0 2.0
   43    47    56    63   0.20000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    49   0.15000  1.0 3.0
   44    43    47    56   0.15000  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    43    47    49   0.15000  1.0 3.0
   45    43    47    56   0.15000  1.0 3.0
   47    56    63    64   0.15000  1.0 3.0
   47    56    63    65   0.15000  1.0 3.0
   47    56    63    66   0.15000  1.0 3.0
   48    47    56    33   0.15000  1.0 3.0
   48    47    56    57   0.27000  1.0 3.0
   48    47    56    63   0.15000  1.0 3.0
   49    47    56    33   0.15000  1.0 3.0
   49    47    56    57   0.27000  1.0 3.0
   49    47    56    63   0.15000  1.0 3.0
   56    33    38    39   0.15000  1.0 3.0
   56    33    38    40   0.15000  1.0 3.0
   56    33   -38    41   0.56750  1.0 1.0
   56    33   -38    41  -0.07550 -1.0 2.0
   56    33   -38    41   0.20000  1.0 3.0
   57    56    63    64   0.27000  1.0 3.0
   57    56    63    65   0.27000  1.0 3.0
   57    56    63    66   0.27000  1.0 3.0
   46    41    43    44   0.15000  1.0 3.0
   46    41    43    45   0.15000  1.0 3.0
   46    41    43    47   0.56750  1.0 1.0
   46    41    43    47  -0.07550 -1.0 2.0
   46    41    43    47   0.20000  1.0 3.0
   46    50    58    59   0.15000  1.0 3.0
   46    50    58    60   0.15000  1.0 3.0
   46    50    58    67   0.56750  1.0 1.0
   46    50    58    67  -0.07550 -1.0 2.0
   46    50    58    67   0.20000  1.0 3.0
   46    50    61    62  -0.11600  1.0 1.0
   46    50    61    62  -0.09450 -1.0 2.0
   46    50    61    62   0.21250  1.0 3.0
   50    46    71    70   0.06250  1.0 1.0
   50    46    71    70  -0.01100 -1.0 2.0
   50    46    71    70   0.28050  1.0 3.0
   50    46    52    53   0.15000  1.0 3.0
   50    46    52    54   0.15000  1.0 3.0
   50    46    52    55   0.15000  1.0 3.0
   50    58    67    68   0.74700  1.0 1.0
   50    58    67    68  -0.19600 -1.0 2.0
   50    58    67    68   0.19200  1.0 3.0
   50    58    67    69   0.15000  1.0 3.0
   50    58   -67    70   0.56750  1.0 1.0
   50    58   -67    70  -0.07550 -1.0 2.0
   50    58   -67    70   0.20000  1.0 3.0
   51    50    58    59   0.15000  1.0 3.0
   51    50    58    60   0.15000  1.0 3.0
   51    50    58    67   0.15000  1.0 3.0
   51    50    61    62   0.19450  1.0 3.0
   58    50    61    62  -0.11600  1.0 1.0
   58    50    61    62  -0.09450 -1.0 2.0
   58    50    61    62   0.21250  1.0 3.0
   58    67    70    71   0.62750  1.0 1.0
   58    67    70    71  -0.30950 -1.0 2.0
   58    67    70    71   0.27300  1.0 3.0
   58    67    70    72   0.56750  1.0 1.0
   58    67    70    72  -0.07550 -1.0 2.0
   58    67    70    72   0.20000  1.0 3.0
   58    67    70    76   0.56750  1.0 1.0
   58    67    70    76  -0.07550 -1.0 2.0
   58    67    70    76   0.20000  1.0 3.0
   59    58    67    68   0.39750  1.0 3.0
   59    58    67    69   0.15000  1.0 3.0
   59    58    67    70   0.15000  1.0 3.0
   60    58    67    68   0.39750  1.0 3.0
   60    58    67    69   0.15000  1.0 3.0
   60    58    67    70   0.15000  1.0 3.0
   67    70   -71    46   0.06250  1.0 1.0
   67    70   -71    46  -0.01100 -1.0 2.0
   67    70   -71    46   0.28050  1.0 3.0
   67    70    72    73   0.15000  1.0 3.0
   67    70    72    74   0.15000  1.0 3.0
   67    70    72    75   0.15000  1.0 3.0
   67    70    76    77   0.15000  1.0 3.0
   67    70    76    78   0.15000  1.0 3.0
   67    70    76    79   0.15000  1.0 3.0
   68    67    70    71   0.56750  1.0 1.0
   68    67    70    71  -0.07550 -1.0 2.0
   68    67    70    71   0.20000  1.0 3.0
   68    67    70    72   0.74700  1.0 1.0
   68    67    70    72  -0.19600 -1.0 2.0
   68    67    70    72   0.19200  1.0 3.0
   68    67    70    76   0.74700  1.0 1.0
   68    67    70    76  -0.19600 -1.0 2.0
   68    67    70    76   0.19200  1.0 3.0
   69    67    70    71   0.23400  1.0 3.0
   69    67    70    72   0.15000  1.0 3.0
   69    67    70    76   0.15000  1.0 3.0
   71    46    50    51   0.23400  1.0 3.0
   71    46   -50    58   0.62750  1.0 1.0
   71    46   -50    58  -0.30950 -1.0 2.0
   71    46   -50    58   0.27300  1.0 3.0
   71    46    50    61   3.69350  1.0 1.0
   71    46    50    61  -1.82950 -1.0 2.0
   71    46    52    53   0.23400  1.0 3.0
   71    46    52    54   0.23400  1.0 3.0
   71    46    52    55   0.23400  1.0 3.0
   71    70    72    73   0.23400  1.0 3.0
   71    70    72    74   0.23400  1.0 3.0
   71    70    72    75   0.23400  1.0 3.0
   71    70    76    77   0.23400  1.0 3.0
   71    70    76    78   0.23400  1.0 3.0
   71    70    76    79   0.23400  1.0 3.0
   72    70    71    46   0.06250  1.0 1.0
   72    70    71    46  -0.01100 -1.0 2.0
   72    70    71    46   0.28050  1.0 3.0
   72    70    76    77   0.15000  1.0 3.0
   72    70    76    78   0.15000  1.0 3.0
   72    70    76    79   0.15000  1.0 3.0
   76    70    71    46   0.06250  1.0 1.0
   76    70    71    46  -0.01100 -1.0 2.0
   76    70    71    46   0.28050  1.0 3.0
   76    70    72    73   0.15000  1.0 3.0
   76    70    72    74   0.15000  1.0 3.0
   76    70    72    75   0.15000  1.0 3.0
   61    50    58    59   0.23400  1.0 3.0
   61    50    58    60   0.23400  1.0 3.0
   61    50    58    67   0.86500  1.0 1.0
   61    50    58    67  -0.17500 -1.0 2.0
   61    50    58    67   0.20800  1.0 3.0
   52    46    50    51   0.15000  1.0 3.0
   52    46    50    58   0.56750  1.0 1.0
   52    46    50    58  -0.07550 -1.0 2.0
   52    46    50    58   0.20000  1.0 3.0
   52    46    50    61   0.86500  1.0 1.0
   52    46    50    61  -0.17500 -1.0 2.0
   52    46    50    61   0.20800  1.0 3.0
   52    46    71    70   0.06250  1.0 1.0
   52    46    71    70  -0.01100 -1.0 2.0
   52    46    71    70   0.28050  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
END
