* LIGAND DATABASE FILE (OPLS2005)
*
001      84    85    158    227     458
    1     0 S   NP   _N1_     1    29.13750    96.60888   -19.93370
    2     1 S   H    _HN1     2     1.02955    79.55607    26.71586
    3     1 S   H    _H1_     3     1.02827    45.85929   153.19090
    4     1 S   H    _H2_     4     1.02774    83.08910   -83.47690
    5     1 S   CT   _CA1     5     1.50136   156.35926   144.15244
    6     5 S   HC   _HA1     6     1.09571   105.20744    66.13781
    7     5 S   CO3  _C1_     7     1.53787   112.37756   -54.06440
    8     7 S   O2Z  _O11     8     1.26364   114.97621   -42.14790
    9     7 S   O2Z  _O12     9     1.26225   114.95600   136.89844
   10     5 S   CT   _CB1    10     1.53076   107.39794  -175.88296
   11    10 S   HC   HB11    11     1.09823   109.36062   -49.49413
   12    10 S   HC   HB12    12     1.09820   110.43539    67.11709
   13    10 S   CT   _CG1    13     1.52956   112.64513  -170.54562
   14    13 S   HC   HG11    14     1.09493   110.47113   -63.96115
   15    13 S   HC   HG12    15     1.09657   109.99496    55.21965
   16    13 S   C    _CD1    16     1.51770   112.31609   175.46974
   17    16 S   O    _OE1    17     1.22723   123.30822    -2.90057
   18    16 S   N    _N2_    18     1.38593   111.61054   177.51620
   19    18 S   H    _HN2    19     1.01628   118.95966     0.58617
   20    18 S   CT1  _CA2    20     1.46135   123.36918   178.55870
   21    20 S   HC   _HA2    21     1.09715   109.41237    -9.62378
   22    20 S   C    _C2_    22     1.53437   108.22348  -125.25149
   23    22 S   O    _O2_    23     1.23034   122.37073  -148.29333
   24    20 S   CT   _CB2    32     1.53225   111.62842   112.67923
   25    24 S   HC   HB21    33     1.09510   109.90166    57.43454
   26    24 S   HC   HB22    34     1.09532   110.45219   175.20351
   27    22 S   N    _N3_    24     1.38346   113.52665    39.05582
   28    27 S   H    _HN3    25     1.01642   119.49315    -3.53635
   29    24 S   S    _SG2    35     1.83052   112.21371   -65.85473
   30    27 S   CT   _CA3    26     1.45276   123.10975   177.31664
   31    30 S   HC   HA31    27     1.09551   107.56412   -63.06487
   32    30 S   HC   HA32    28     1.09561   107.90023    53.34230
   33    29 S   CT   _C7_    36     1.84586    99.61391   133.81857
   34    33 S   HC   _H5_    37     1.09534   106.10179    42.48781
   35    30 S   CO3  _C3_    29     1.52927   114.13013   175.28154
   36    35 S   O2Z  _O31    30     1.26366   116.05407    -0.75692
   37    35 S   O2Z  _O32    31     1.26429   114.41318   179.27774
   38    33 S   CT   _C6_    38     1.54199   109.97486   -77.80580
   39    38 S   HC   _H4_    39     1.09631   111.04198    41.75001
   40    38 S   CT   _C5_    40     1.54231   112.08829   -78.53346
   41    40 S   HC   _H3_    41     1.09871   107.98355    69.39097
   42    38 S   OS   _O35    60     1.43658   109.22989   160.95460
   43    40 S   CO   _C9_    42     1.53637   111.10334   -48.76196
   44    43 S   HC   _H7_    43     1.09643   110.41815   -65.83131
   45    40 S   CT   _C4_    56     1.53366   111.40398  -173.38242
   46    45 S   HC   _H13    57     1.09511   111.62057    69.14739
   47    45 S   HC   _H14    58     1.09463   110.79961   -51.24523
   48    45 S   HC   _H15    59     1.09474   110.99111  -170.65347
   49    42 S   CO   _C12    61     1.43502   113.30171   -88.07858
   50    49 S   HC   _H8_    62     1.09480   108.30469    50.77504
   51    43 S   OS   _O33    44     1.42811   109.82156    56.07399
   52    43 S   OS   _O34    51     1.43472   107.89697   176.10464
   53    49 S   CT   _C13    63     1.53697   108.07670   168.98544
   54    53 S   HC   _H9_    64     1.09629   108.96746   -58.97610
   55    33 S   CT   _C8_    45     1.54267   109.14366   157.93760
   56    55 S   HC   _H6_    46     1.09781   109.04402   -40.10474
   57    52 S   CT   _C10    52     1.42112   112.32236   170.15418
   58    57 S   HC   _H16    53     1.09333   108.25646  -179.33618
   59    57 S   HC   _H17    54     1.09394   110.81372    61.82758
   60    57 S   HC   _H18    55     1.09420   110.53894   -60.61800
   61    53 S   CT   _C14    65     1.52984   110.36021   178.68493
   62    61 S   HC   _H10    66     1.09601   110.95630  -172.51381
   63    53 S   OH   _O42    83     1.42881   109.36904    58.09875
   64    63 S   HO   _H26    84     0.97241   107.70811  -179.37693
   65    55 S   CT   _C11    47     1.53124   113.15598  -156.72875
   66    65 S   HC   _H19    48     1.09260   112.86266   -61.16804
   67    65 S   HC   _H20    49     1.09555   110.04192  -179.95577
   68    65 S   HC   _H21    50     1.09462   110.83934    60.09706
   69    61 S   CT   _C15    67     1.53555   110.12777   -51.91948
   70    69 S   HC   _H11    68     1.09907   106.96801   -67.39616
   71    61 S   OH   _O41    81     1.42608   109.37757    69.57744
   72    71 S   HO   _H25    82     0.97254   107.56103    66.95427
   73    69 S   CT   _C16    69     1.53739   113.01211    49.54958
   74    73 S   HC   _H12    70     1.09767   106.90759  -165.16079
   75    69 S   OS   _O37    76     1.42557   110.10749   173.31983
   76    49 S   OS   _O36    71     1.43187   111.07293   -69.42199
   77    73 S   CT   _C17    72     1.52882   116.05317    77.66285
   78    77 S   HC   _H22    73     1.09246   112.77637   -61.71116
   79    77 S   HC   _H23    74     1.09581   109.87217   179.90309
   80    77 S   HC   _H24    75     1.09419   111.31018    60.08815
   81    75 S   SY   _S1_    77     1.63838   120.11597   106.19214
   82    81 S   OY   _O40    78     1.46184   104.40425   -56.32570
   83    81 S   OY   _O38    79     1.46144   103.49461  -176.14364
   84    81 S   OY   _O39    80     1.46171   104.12125    64.15031
  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
  16   8   2   1   1  19   7  13   9  11  14   5   5   2   1   1
  13   6   8   5  12   7   5   4   3   2   1   1  13   7   4   1
   3   2   1   1  15   7   3   1   8   6   6   4   3   2   1   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    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    51    55    56    65    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    51    55    56    65    66    67    68    45    42    49  
   38    39    40    51    55    56    65    42  
   36    37  
   37  
    0  
   39    40    41    43    44    51    55    56    65    52    45    46    47    48    42    49    50    53    76  
   40    41    43    55    45    42    49  
   41    43    44    51    55    52    57    45    46    47    48    42    49  
   43    44    51    52    45    46    47    48    42  
   49    50    53    54    61    73    76    63    43    45    55  
   44    51    55    56    65    52    57    58    59    60    45    46    47    48  
   51    55    52    57    45  
   46    47    48    51    52  
   47    48  
   48  
    0  
   50    53    54    61    62    69    73    74    76    77    71    63    64  
   53    54    61    73    76    63  
   55    56    65    66    67    68    52    57  
   57    58    59    60    55  
   54    61    62    69    70    73    76    75    71    72    63    64  
   61    62    69    76    71    63    64  
   56    65    66    67    68  
   65    66    67    68  
   58    59    60  
   59    60  
   60  
    0  
   62    69    70    73    74    76    77    75    81    71    72    63    64  
   69    70    73    75    71    72    63  
   64    69    71    76  
    0  
   66    67    68  
   67    68  
   68  
    0  
   70    73    74    76    77    78    79    80    75    81    82    83    84    71    72  
   73    74    76    77    75    81    71  
   72    73    75  
    0  
   74    76    77    78    79    80    75    81  
   76    77    78    79    80    75  
   81    82    83    84    76    77  
   77    78    79    80  
   78    79    80  
   79    80  
   80  
    0  
   82    83    84  
   83    84  
   84  
    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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   51   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   52   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.111100   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   2.9000   0.1400  -0.500300   1.7660   1.5600   0.020110767  -0.896042159
   76   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.2500   1.628500   2.0025   1.7750   0.025682759  -1.666211680
   82   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   83   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   84   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
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    55   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   250.000  1.527
   40    45   268.000  1.529
   43    44   340.000  1.090
   43    51   320.000  1.380
   43    52   320.000  1.380
   51    55   320.000  1.410
   55    56   340.000  1.090
   55    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   52    57   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   42    49   320.000  1.380
   49    50   340.000  1.090
   49    53   250.000  1.527
   49    76   320.000  1.380
   53    54   340.000  1.090
   53    61   268.000  1.529
   53    63   320.000  1.410
   61    62   340.000  1.090
   61    69   268.000  1.529
   61    71   320.000  1.410
   69    70   340.000  1.090
   69    73   268.000  1.529
   69    75   320.000  1.410
   73    74   340.000  1.090
   73    76   320.000  1.410
   73    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   75    81   335.000  1.682
   81    82   735.000  1.471
   81    83   735.000  1.471
   81    84   735.000  1.471
   71    72   553.000  0.945
   63    64   553.000  0.945
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    55    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    55    51    50.00000  109.50000
   33    55    56    37.50000  110.70000
   33    55    65    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    75.00000  109.43000
   38    40    45    58.35000  112.70000
   38    42    49    60.00000  109.50000
   40    38    39    37.50000  110.70000
   40    43    44    45.00000  112.01100
   40    43    51    90.00000  108.56700
   40    43    52    90.00000  108.56700
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    48    37.50000  110.70000
   43    40    41    45.00000  108.72000
   43    51    55    60.00000  109.50000
   43    52    57    60.00000  109.50000
   51    43    44    35.00000  109.50000
   51    55    56    35.00000  109.50000
   51    55    65    50.00000  109.50000
   55    33    34    37.50000  110.70000
   55    33    38    58.35000  112.70000
   55    65    66    37.50000  110.70000
   55    65    67    37.50000  110.70000
   55    65    68    37.50000  110.70000
   65    55    56    37.50000  110.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   52    43    44    35.00000  109.50000
   52    43    51    92.60000  111.55000
   52    57    58    35.00000  109.50000
   52    57    59    35.00000  109.50000
   52    57    60    35.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   45    40    41    37.50000  110.70000
   45    40    43    75.00000  109.43000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    49    50    35.00000  109.50000
   42    49    53    90.00000  108.56700
   42    49    76    92.60000  111.55000
   49    53    54    45.00000  108.72000
   49    53    61    75.00000  109.43000
   49    53    63    90.00000  111.58700
   49    76    73    60.00000  109.50000
   53    49    50    45.00000  112.01100
   53    61    62    37.50000  110.70000
   53    61    69    58.35000  112.70000
   53    61    71    50.00000  109.50000
   53    63    64    55.00000  108.50000
   61    53    54    37.50000  110.70000
   61    69    70    37.50000  110.70000
   61    69    73    58.35000  112.70000
   61    69    75    50.00000  109.50000
   61    71    72    55.00000  108.50000
   69    61    62    37.50000  110.70000
   69    73    74    37.50000  110.70000
   69    73    76    50.00000  109.50000
   69    73    77    58.35000  112.70000
   69    75    81   100.00000  113.05000
   73    69    70    37.50000  110.70000
   73    77    78    37.50000  110.70000
   73    77    79    37.50000  110.70000
   73    77    80    37.50000  110.70000
   76    49    50    35.00000  109.50000
   76    49    53    90.00000  108.56700
   76    73    74    35.00000  109.50000
   77    73    74    37.50000  110.70000
   77    73    76    50.00000  109.50000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   75    69    70    35.00000  109.50000
   75    69    73    50.00000  109.50000
   75    81    82   135.00000  106.70400
   75    81    83   135.00000  106.70400
   75    81    84   135.00000  106.70400
   83    81    82   115.00000  120.17200
   84    81    82   115.00000  120.17200
   84    81    83   115.00000  120.17200
   71    61    62    35.00000  109.50000
   71    61    69    50.00000  109.50000
   63    53    54    35.00000  109.50000
   63    53    61    50.00000  109.50000
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    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   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   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    55    51   0.56750  1.0 1.0
   29    33    55    51  -0.07550 -1.0 2.0
   29    33    55    51   0.20000  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    65   0.44750  1.0 1.0
   29    33    55    65  -0.17800 -1.0 2.0
   29    33    55    65   0.20200  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43   3.97050  1.0 1.0
   33    38    40    45   0.56750  1.0 1.0
   33    38    40    45  -0.07550 -1.0 2.0
   33    38    40    45   0.20000  1.0 3.0
   33    38    42    49   0.06250  1.0 1.0
   33    38    42    49  -0.01100 -1.0 2.0
   33    38    42    49   0.28050  1.0 3.0
   33    55    65    66   0.15000  1.0 3.0
   33    55    65    67   0.15000  1.0 3.0
   33    55    65    68   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    42   0.23400  1.0 3.0
   34    33    55    51   0.23400  1.0 3.0
   34    33    55    56   0.15000  1.0 3.0
   34    33    55    65   0.15000  1.0 3.0
   38    33    55    51   0.62750  1.0 1.0
   38    33    55    51  -0.30950 -1.0 2.0
   38    33    55    51   0.27300  1.0 3.0
   38    33    55    56   0.15000  1.0 3.0
   38    33    55    65   0.56750  1.0 1.0
   38    33    55    65  -0.07550 -1.0 2.0
   38    33    55    65   0.20000  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40   -43    51   0.62750  1.0 1.0
   38    40   -43    51  -0.30950 -1.0 2.0
   38    40   -43    51   0.27300  1.0 3.0
   38    40    43    52   0.62750  1.0 1.0
   38    40    43    52  -0.30950 -1.0 2.0
   38    40    43    52   0.27300  1.0 3.0
   38    40    45    46   0.15000  1.0 3.0
   38    40    45    47   0.15000  1.0 3.0
   38    40    45    48   0.15000  1.0 3.0
   38    42    49    50   0.37050  1.0 3.0
   38    42    49    53   0.06250  1.0 1.0
   38    42    49    53  -0.01100 -1.0 2.0
   38    42    49    53   0.28050  1.0 3.0
   38    42    49    76  -0.53350  1.0 1.0
   38    42    49    76  -0.78350 -1.0 2.0
   38    42    49    76   0.33750  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    45   0.15000  1.0 3.0
   39    38    42    49   0.37050  1.0 3.0
   40    38    42    49   0.06250  1.0 1.0
   40    38    42    49  -0.01100 -1.0 2.0
   40    38    42    49   0.28050  1.0 3.0
   40    43    51    55   0.06250  1.0 1.0
   40    43    51    55  -0.01100 -1.0 2.0
   40    43    51    55   0.28050  1.0 3.0
   40    43    52    57   0.06250  1.0 1.0
   40    43    52    57  -0.01100 -1.0 2.0
   40    43    52    57   0.28050  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    51   0.23400  1.0 3.0
   41    40    43    52   0.23400  1.0 3.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    47   0.15000  1.0 3.0
   41    40    45    48   0.15000  1.0 3.0
   43    40    45    46   0.15000  1.0 3.0
   43    40    45    47   0.15000  1.0 3.0
   43    40    45    48   0.15000  1.0 3.0
   43    51   -55    33   0.06250  1.0 1.0
   43    51   -55    33  -0.01100 -1.0 2.0
   43    51   -55    33   0.28050  1.0 3.0
   43    51    55    56   0.37050  1.0 3.0
   43    51    55    65   0.06250  1.0 1.0
   43    51    55    65  -0.01100 -1.0 2.0
   43    51    55    65   0.28050  1.0 3.0
   43    52    57    58   0.37050  1.0 3.0
   43    52    57    59   0.37050  1.0 3.0
   43    52    57    60   0.37050  1.0 3.0
   44    43    51    55   0.37050  1.0 3.0
   44    43    52    57   0.37050  1.0 3.0
   51    43    52    57  -0.53350  1.0 1.0
   51    43    52    57  -0.78350 -1.0 2.0
   51    43    52    57   0.33750  1.0 3.0
   51    55    65    66   0.23400  1.0 3.0
   51    55    65    67   0.23400  1.0 3.0
   51    55    65    68   0.23400  1.0 3.0
   55    33    38    39   0.15000  1.0 3.0
   55    33   -38    40   0.56750  1.0 1.0
   55    33   -38    40  -0.07550 -1.0 2.0
   55    33   -38    40   0.20000  1.0 3.0
   55    33    38    42   0.62750  1.0 1.0
   55    33    38    42  -0.30950 -1.0 2.0
   55    33    38    42   0.27300  1.0 3.0
   56    55    65    66   0.15000  1.0 3.0
   56    55    65    67   0.15000  1.0 3.0
   56    55    65    68   0.15000  1.0 3.0
   52    43    51    55  -0.81800  1.0 1.0
   45    40    43    44   0.15000  1.0 3.0
   45    40    43    51   0.62750  1.0 1.0
   45    40    43    51  -0.30950 -1.0 2.0
   45    40    43    51   0.27300  1.0 3.0
   45    40    43    52   0.62750  1.0 1.0
   45    40    43    52  -0.30950 -1.0 2.0
   45    40    43    52   0.27300  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   0.62750  1.0 1.0
   42    38    40    43  -0.30950 -1.0 2.0
   42    38    40    43   0.27300  1.0 3.0
   42    38    40    45   0.62750  1.0 1.0
   42    38    40    45  -0.30950 -1.0 2.0
   42    38    40    45   0.27300  1.0 3.0
   42    49    53    54   0.23400  1.0 3.0
   42    49    53    61   0.62750  1.0 1.0
   42    49    53    61  -0.30950 -1.0 2.0
   42    49    53    61   0.27300  1.0 3.0
   42    49    53    63   3.69350  1.0 1.0
   42    49    53    63  -1.82950 -1.0 2.0
   42    49    76    73  -0.81800  1.0 1.0
   49    53    61    62   0.15000  1.0 3.0
   49    53    61    69   3.97050  1.0 1.0
   49    53    61    71   0.86500  1.0 1.0
   49    53    61    71  -0.17500 -1.0 2.0
   49    53    61    71   0.20800  1.0 3.0
   49    53    63    64  -0.11600  1.0 1.0
   49    53    63    64  -0.09450 -1.0 2.0
   49    53    63    64   0.21250  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    61   0.15000  1.0 3.0
   50    49    53    63   0.23400  1.0 3.0
   50    49    76    73   0.37050  1.0 3.0
   53    49    76    73   0.06250  1.0 1.0
   53    49    76    73  -0.01100 -1.0 2.0
   53    49    76    73   0.28050  1.0 3.0
   53    61    69    70   0.15000  1.0 3.0
   53    61   -69    73   0.56750  1.0 1.0
   53    61   -69    73  -0.07550 -1.0 2.0
   53    61   -69    73   0.20000  1.0 3.0
   53    61    69    75   0.62750  1.0 1.0
   53    61    69    75  -0.30950 -1.0 2.0
   53    61    69    75   0.27300  1.0 3.0
   53    61    71    72  -0.11600  1.0 1.0
   53    61    71    72  -0.09450 -1.0 2.0
   53    61    71    72   0.21250  1.0 3.0
   54    53    61    62   0.15000  1.0 3.0
   54    53    61    69   0.15000  1.0 3.0
   54    53    61    71   0.23400  1.0 3.0
   54    53    63    64   0.19450  1.0 3.0
   61    53    63    64  -0.11600  1.0 1.0
   61    53    63    64  -0.09450 -1.0 2.0
   61    53    63    64   0.21250  1.0 3.0
   61    69    73    74   0.15000  1.0 3.0
   61    69    73    76   0.62750  1.0 1.0
   61    69    73    76  -0.30950 -1.0 2.0
   61    69    73    76   0.27300  1.0 3.0
   61    69    73    77   0.56750  1.0 1.0
   61    69    73    77  -0.07550 -1.0 2.0
   61    69    73    77   0.20000  1.0 3.0
   61    69    75    81   0.37500  1.0 3.0
   62    61    69    70   0.15000  1.0 3.0
   62    61    69    73   0.15000  1.0 3.0
   62    61    69    75   0.23400  1.0 3.0
   62    61    71    72   0.19450  1.0 3.0
   69    61    71    72  -0.11600  1.0 1.0
   69    61    71    72  -0.09450 -1.0 2.0
   69    61    71    72   0.21250  1.0 3.0
   69    73   -76    49   0.06250  1.0 1.0
   69    73   -76    49  -0.01100 -1.0 2.0
   69    73   -76    49   0.28050  1.0 3.0
   69    73    77    78   0.15000  1.0 3.0
   69    73    77    79   0.15000  1.0 3.0
   69    73    77    80   0.15000  1.0 3.0
   69    75    81    82   0.29800  1.0 3.0
   69    75    81    83   0.29800  1.0 3.0
   69    75    81    84   0.29800  1.0 3.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    76   0.23400  1.0 3.0
   70    69    73    77   0.15000  1.0 3.0
   70    69    75    81   0.00000  1.0 1.0
   73    69    75    81   0.37500  1.0 3.0
   74    73    76    49   0.37050  1.0 3.0
   74    73    77    78   0.15000  1.0 3.0
   74    73    77    79   0.15000  1.0 3.0
   74    73    77    80   0.15000  1.0 3.0
   76    49    53    54   0.23400  1.0 3.0
   76    49   -53    61   0.62750  1.0 1.0
   76    49   -53    61  -0.30950 -1.0 2.0
   76    49   -53    61   0.27300  1.0 3.0
   76    49    53    63   3.69350  1.0 1.0
   76    49    53    63  -1.82950 -1.0 2.0
   76    73    77    78   0.23400  1.0 3.0
   76    73    77    79   0.23400  1.0 3.0
   76    73    77    80   0.23400  1.0 3.0
   77    73    76    49   0.06250  1.0 1.0
   77    73    76    49  -0.01100 -1.0 2.0
   77    73    76    49   0.28050  1.0 3.0
   75    69    73    74   0.23400  1.0 3.0
   75    69    73    76   1.11900  1.0 1.0
   75    69    73    76  -1.16350 -1.0 2.0
   75    69    73    76  -0.34150  1.0 3.0
   75    69    73    77   0.62750  1.0 1.0
   75    69    73    77  -0.30950 -1.0 2.0
   75    69    73    77   0.27300  1.0 3.0
   71    61    69    70   0.23400  1.0 3.0
   71    61    69    73   0.86500  1.0 1.0
   71    61    69    73  -0.17500 -1.0 2.0
   71    61    69    73   0.20800  1.0 3.0
   71    61    69    75   3.69350  1.0 1.0
   71    61    69    75  -1.82950 -1.0 2.0
   63    53    61    62   0.23400  1.0 3.0
   63    53    61    69   0.86500  1.0 1.0
   63    53    61    69  -0.17500 -1.0 2.0
   63    53    61    69   0.20800  1.0 3.0
   63    53    61    71   3.75450  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
END
