* LIGAND DATABASE FILE (OPLS2005)
*
001      85    86    151    228     440
    1     0 S   NP   _N1_     1    28.78710    97.36929   -22.44323
    2     1 S   H    _HN1     2     1.02783    95.87924   -82.03889
    3     1 S   H    _H1_     3     1.02952    70.70957    25.37152
    4     1 S   H    _H2_     4     1.02830    44.58043   168.37264
    5     1 S   CT   _CA1     5     1.50109   148.86295   123.13643
    6     5 S   HC   _HA1     6     1.09575   105.20795    91.43246
    7     5 S   CO3  _C1_     7     1.53766   112.38313   -28.76433
    8     7 S   O2Z  _O11     8     1.26362   115.00867   -44.24436
    9     7 S   O2Z  _O12     9     1.26232   114.94521   134.90068
   10     5 S   CT   _CB1    10     1.53091   107.41422  -150.65840
   11    10 S   HC   HB11    11     1.09827   109.32970   -50.37443
   12    10 S   HC   HB12    12     1.09813   110.47012    66.21805
   13    10 S   CT   _CG1    13     1.52975   112.61071  -171.40632
   14    13 S   HC   HG11    14     1.09608   110.52056   -65.26256
   15    13 S   HC   HG12    15     1.09667   109.87539    53.93646
   16    13 S   C    _CD1    16     1.51839   112.32534   174.31714
   17    16 S   O    _OE1    17     1.22716   123.34076     2.91067
   18    16 S   N    _N2_    18     1.38600   111.56010  -177.15511
   19    18 S   H    _HN2    19     1.01591   118.88705     1.64639
   20    18 S   CT1  _CA2    20     1.46293   123.56421   178.87865
   21    20 S   HC   _HA2    21     1.09730   109.48994    -4.31016
   22    20 S   C    _C2_    22     1.53440   108.39618  -119.83744
   23    22 S   O    _O2_    23     1.23035   122.36020  -147.87408
   24    20 S   CT   _CB2    32     1.53361   111.09261   117.91674
   25    24 S   HC   HB21    33     1.09317   109.23519    54.89305
   26    24 S   HC   HB22    34     1.09505   110.72663   173.18269
   27    22 S   N    _N3_    24     1.38358   113.53553    39.62110
   28    27 S   H    _HN3    25     1.01623   119.51450    -3.53900
   29    24 S   S    _SG2    35     1.83043   110.96270   -68.00454
   30    27 S   CT   _CA3    26     1.45286   123.16779   177.01128
   31    30 S   HC   HA31    27     1.09551   107.51995   -64.12105
   32    30 S   HC   HA32    28     1.09558   107.96206    52.29906
   33    29 S   CT   _C21    36     1.85785   102.30550   146.70082
   34    30 S   CO3  _C3_    29     1.52944   114.10976   174.28440
   35    34 S   O2Z  _O31    30     1.26370   116.05836    -0.82472
   36    34 S   O2Z  _O32    31     1.26428   114.41407   179.23664
   37    33 S   CT   _C22    37     1.53456   110.20995    53.42604
   38    37 S   HC   _H17    38     1.09465   112.28306   -69.89964
   39    37 S   HC   _H18    39     1.09637   111.62000    51.65526
   40    37 S   HC   _H19    40     1.09588   111.04245   170.58633
   41    33 S   CT   _C23    41     1.53893   105.37757   170.88669
   42    41 S   HC   _H20    42     1.09649   111.81052    63.96264
   43    41 S   HC   _H21    43     1.09688   111.80570   -57.37213
   44    41 S   HC   _H22    44     1.09555   111.08018  -176.12763
   45    33 S   CT   _C20    45     1.54117   108.32916   -70.22140
   46    45 S   HC   _H15    46     1.09905   110.81565   -50.12648
   47    45 S   HC   _H16    47     1.09611   112.13908    67.45486
   48    45 S   CO4  _C19    48     1.51233   113.93471  -172.06897
   49    48 S   O    _O38    49     1.22338   124.16538   -76.72856
   50    48 S   OS   _O37    50     1.36187   109.68545   103.19339
   51    50 S   CT   _C8_    51     1.44634   117.83149   176.90092
   52    51 S   HC   _H3_    52     1.09925   108.74935   -34.34791
   53    51 S   CM   _C9_    53     1.51597   109.64734    86.08227
   54    51 S   CT   _C7_    72     1.53929   108.04644  -151.34691
   55    54 S   HC   _H8_    73     1.09419   111.30287   -53.64170
   56    54 S   HC   _H9_    74     1.09764   110.02228  -170.94883
   57    53 S   CM   _C10    54     1.33756   121.06555  -126.79755
   58    57 S   HC   _H10    55     1.08603   121.06503    -0.68927
   59    54 S   CM   _C6_    75     1.50743   111.37874    69.85181
   60    59 S   HC   _H7_    76     1.08932   114.27872    81.34173
   61    57 S   CO4  _C11    56     1.47247   123.15124   179.17813
   62    61 S   O    _O33    57     1.22547   119.88656   178.56441
   63    59 S   CM   _C5_    77     1.34698   127.49433   -98.86419
   64    61 S   CA   _C12    58     1.47722   118.27336    -1.67841
   65    63 S   CT   _C4_    78     1.50550   120.56635  -179.42359
   66    65 S   HC   _H4_    79     1.09496   110.25648   121.89905
   67    65 S   HC   _H5_    80     1.09508   112.38062     1.84249
   68    65 S   HC   _H6_    81     1.09487   110.23360  -118.23962
   69    63 S   CT   _C24    82     1.50336   125.14022     1.57122
   70    69 S   HC   _H23    83     1.09526   109.98486   122.51075
   71    69 S   HC   _H24    84     1.09208   113.63036     2.70993
   72    69 S   HC   _H25    85     1.09477   110.06356  -118.06724
   73    64 S   CA   _C17    59     1.40192   119.74760     1.40137
   74    73 S   CA   _C16    60     1.40690   119.06515  -179.68348
   75    53 S   CO4  _C18    70     1.48853   119.22490    52.23238
   76    75 S   O    _O34    71     1.22631   121.05276     2.25281
   77    74 S   CA   _C15    61     1.39493   120.89654    -0.13988
   78    77 S   HA   _H12    62     1.08688   120.41039  -180.00000
   79    74 S   OH   _O35    68     1.36983   123.65341   179.74512
   80    79 S   HO   _H13    69     0.97379   109.05911     0.14804
   81    77 S   CA   _C14    63     1.38994   119.90451     0.00000
   82    81 S   HA   _H11    64     1.08679   119.72441  -179.97202
   83    64 S   CA   _C13    65     1.40596   120.70846  -178.46176
   84    83 S   OH   _O36    66     1.36946   123.57169    -0.16071
   85    84 S   HO   _H14    67     0.97374   109.09529    -0.25101
  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  13   5   4   3
  14   2   1   1  11   4   3   2   7   3   2   1   6   4   3   6
   2   9  14   7  13   9   4   3   8   4  10   3   8   3   8  11
   7   3   2   1   3   2   1   1  10   9   4   1   7   4   2   1
   4   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    41    45    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    43    44    45    46    47    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    44    45    46    47    48    49    50  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44    45    46    47    48  
   39    40    41    45  
   40    41    45  
   41    45  
   42    43    44    45    46    47    48  
   43    44    45  
   44    45  
   45  
   46    47    48    49    50    51  
   47    48    49    50  
   48    49    50  
   49    50    51    52    53    54  
   50    51  
   51    52    53    57    75    54    55    56    59  
   52    53    57    58    61    73    75    76    54    55    56    59    60    63  
   53    57    75    54    55    56    59  
   57    58    61    62    64    73    74    75    76    54    55    56    59  
   55    56    59    60    63    65    69    57    75  
   56    59    60    63  
   59    60    63  
   58    61    62    64    73    83    75    76  
   61    62    64    75  
   60    63    65    66    67    68    69    70    71    72  
   63    65    69  
   62    64    73    74    81    83    84    75  
   64    73    83  
   65    66    67    68    69    70    71    72  
   73    74    77    81    82    83    84    85    79    75    76  
   66    67    68    69    70    71    72  
   67    68    69  
   68    69  
   69  
   70    71    72  
   71    72  
   72  
    0  
   74    77    78    81    83    84    79    80    75    76  
   77    78    81    82    83    79    80    75    76  
   76    77    79    83  
    0  
   78    81    82    83    84    79    80  
   81    82    83    79  
   80    81  
    0  
   82    83    84    85  
   83    84  
   84    85  
   85  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   75   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   83   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   84   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    41   268.000  1.529
   33    45   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   317.000  1.522
   48    49   570.000  1.229
   48    50   214.000  1.327
   50    51   320.000  1.410
   51    52   340.000  1.090
   51    53   317.000  1.510
   51    54   268.000  1.529
   53    57   549.000  1.340
   53    75   320.000  1.462
   57    58   340.000  1.080
   57    61   320.000  1.462
   61    62   570.000  1.229
   61    64   310.000  1.470
   64    73   469.000  1.400
   64    83   469.000  1.400
   73    74   469.000  1.400
   73    75   310.000  1.470
   74    77   469.000  1.400
   74    79   450.000  1.364
   77    78   367.000  1.080
   77    81   469.000  1.400
   81    82   367.000  1.080
   81    83   469.000  1.400
   83    84   450.000  1.364
   84    85   553.000  0.945
   79    80   553.000  0.945
   75    76   570.000  1.229
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   317.000  1.510
   59    60   340.000  1.080
   59    63   549.000  1.340
   63    65   317.000  1.510
   63    69   317.000  1.510
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    41    75.00000  111.63000
   29    33    45    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    40    37.50000  110.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   33    45    46    37.50000  110.70000
   33    45    47    37.50000  110.70000
   33    45    48    63.00000  111.10000
   39    37    38    33.00000  107.80000
   40    37    38    33.00000  107.80000
   40    37    39    33.00000  107.80000
   41    33    37    58.35000  112.70000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
   45    33    37    58.35000  112.70000
   45    33    41    58.35000  112.70000
   45    48    49    80.00000  120.40000
   45    48    50    81.00000  111.40000
   47    45    46    33.00000  107.80000
   48    45    46    35.00000  109.50000
   48    45    47    35.00000  109.50000
   48    50    51    83.00000  116.90000
   50    48    49    83.00000  123.40000
   50    51    52    35.00000  109.50000
   50    51    53    85.00000  110.90400
   50    51    54    50.00000  109.50000
   51    53    57    70.00000  124.00000
   51    53    75    65.00000  116.34900
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    59    70.00000  112.02700
   53    51    52    35.00000  109.50000
   53    57    58    35.00000  120.00000
   53    57    61    65.00000  118.96000
   53    75    73    65.00000  117.02400
   53    75    76    80.00000  123.72100
   57    61    62    80.00000  123.72100
   57    61    64    65.00000  117.02400
   61    57    58    40.00000  117.72500
   61    64    73    60.00000  119.52600
   61    64    83    60.00000  119.52600
   64    61    62    75.00000  123.78400
   64    73    74    63.00000  120.00000
   64    73    75    60.00000  119.52600
   64    83    81    63.00000  120.00000
   64    83    84    70.00000  120.00000
   73    74    77    63.00000  120.00000
   73    74    79    70.00000  120.00000
   73    75    76    75.00000  123.78400
   74    77    78    35.00000  120.00000
   74    77    81    63.00000  120.00000
   74    79    80    35.00000  113.00000
   77    81    82    35.00000  120.00000
   77    81    83    63.00000  120.00000
   81    77    78    35.00000  120.00000
   81    83    84    70.00000  120.00000
   83    64    73    63.00000  120.00000
   83    81    82    35.00000  120.00000
   83    84    85    35.00000  113.00000
   79    74    77    70.00000  120.00000
   75    53    57    65.00000  118.96000
   75    73    74    60.00000  119.52600
   54    51    52    37.50000  110.70000
   54    51    53    70.00000  112.02700
   54    59    60    35.00000  117.00000
   54    59    63    70.00000  124.00000
   56    54    55    33.00000  107.80000
   59    54    55    35.00000  109.50000
   59    54    56    35.00000  109.50000
   59    63    65    70.00000  124.00000
   59    63    69    70.00000  124.00000
   63    59    60    35.00000  120.00000
   63    65    66    35.00000  109.50000
   63    65    67    35.00000  109.50000
   63    65    68    35.00000  109.50000
   63    69    70    35.00000  109.50000
   63    69    71    35.00000  109.50000
   63    69    72    35.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   69    63    65    65.00000  117.92700
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   24    29    33    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    40   0.15000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.15000  1.0 3.0
   29    33    45    46   0.15000  1.0 3.0
   29    33    45    47   0.15000  1.0 3.0
   29    33    45    48   0.56750  1.0 1.0
   29    33    45    48  -0.07550 -1.0 2.0
   29    33    45    48   0.20000  1.0 3.0
   33    45    48    49   0.30150 -1.0 2.0
   33    45    48    50   0.36750  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    44   0.15000  1.0 3.0
   37    33    45    46   0.15000  1.0 3.0
   37    33    45    47   0.15000  1.0 3.0
   37    33    45    48  -0.95700  1.0 1.0
   37    33    45    48  -0.18200 -1.0 2.0
   37    33    45    48   0.29450  1.0 3.0
   41    33    37    38   0.15000  1.0 3.0
   41    33    37    39   0.15000  1.0 3.0
   41    33    37    40   0.15000  1.0 3.0
   41    33    45    46   0.15000  1.0 3.0
   41    33    45    47   0.15000  1.0 3.0
   41    33    45    48  -0.95700  1.0 1.0
   41    33    45    48  -0.18200 -1.0 2.0
   41    33    45    48   0.29450  1.0 3.0
   45    33    37    38   0.15000  1.0 3.0
   45    33    37    39   0.15000  1.0 3.0
   45    33    37    40   0.15000  1.0 3.0
   45    33    41    42   0.15000  1.0 3.0
   45    33    41    43   0.15000  1.0 3.0
   45    33    41    44   0.15000  1.0 3.0
   45    48    50    51   1.63150  1.0 1.0
   45    48    50    51   2.92000 -1.0 2.0
   46    45    48    49   0.00000  1.0 1.0
   46    45    48    50   0.00000  1.0 1.0
   47    45    48    49   0.00000  1.0 1.0
   47    45    48    50   0.00000  1.0 1.0
   48    50    51    52   0.08050  1.0 3.0
   48    50    51    53  -0.82050  1.0 1.0
   48    50    51    53   0.00600 -1.0 2.0
   48    50    51    53   0.04400  1.0 3.0
   48    50    51    54  -0.25900  1.0 1.0
   48    50    51    54  -0.47000 -1.0 2.0
   48    50    51    54   0.11750  1.0 3.0
   49    48    50    51   3.00000 -1.0 2.0
   50    51    53    57   0.39000  1.0 1.0
   50    51    53    57  -0.05800 -1.0 2.0
   50    51    53    57  -0.55150  1.0 3.0
   50    51    53    75   0.09700  1.0 1.0
   50    51    53    75   0.15600 -1.0 2.0
   50    51    53    75  -0.50800  1.0 3.0
   50    51    54    55   0.23400  1.0 3.0
   50    51    54    56   0.23400  1.0 3.0
   50    51    54    59   0.61850  1.0 1.0
   50    51    54    59  -0.22750 -1.0 2.0
   50    51    54    59   0.15300  1.0 3.0
   51    53    57    58   7.00000 -1.0 2.0
   51    53    57    61   7.00000 -1.0 2.0
   51    53    75    73   1.50000 -1.0 2.0
   51    53    75    76  -0.64400  1.0 1.0
   51    53    75    76   0.26850 -1.0 2.0
   51    54    59    60   0.00000  1.0 1.0
   51    54    59    63   0.09850  1.0 1.0
   51    54    59    63   0.15250 -1.0 2.0
   51    54    59    63  -0.50650  1.0 3.0
   52    51    53    57   0.00000  1.0 1.0
   52    51    53    75   0.15000  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    59   0.15000  1.0 3.0
   53    51    54    55   0.15000  1.0 3.0
   53    51    54    56   0.15000  1.0 3.0
   53    51    54    59   0.31000  1.0 1.0
   53    51    54    59   0.14700 -1.0 2.0
   53    51    54    59   0.07550  1.0 3.0
   53    57    61    62   1.00000 -1.0 2.0
   53    57    61    64  -1.65800  1.0 1.0
   53    57    61    64   0.77650 -1.0 2.0
   57    53    75    73  -1.65800  1.0 1.0
   57    53    75    73   0.77650 -1.0 2.0
   57    53    75    76   1.00000 -1.0 2.0
   57    61   -64    73  -0.11500  1.0 1.0
   57    61   -64    73   1.10450 -1.0 2.0
   57    61   -64    73  -0.48050  1.0 3.0
   57    61    64    83  -0.11500  1.0 1.0
   57    61    64    83   1.10450 -1.0 2.0
   57    61    64    83  -0.48050  1.0 3.0
   58    57    61    62   0.00000  1.0 1.0
   58    57    61    64   1.64500 -1.0 2.0
   61    64    73    74   3.62500 -1.0 2.0
   61    64    73    75   3.62500 -1.0 2.0
   61    64    83    81   3.62500 -1.0 2.0
   61    64    83    84   3.62500 -1.0 2.0
   62    61    64    73   1.05000 -1.0 2.0
   62    61    64    83   1.05000 -1.0 2.0
   64    73    74    77   3.62500 -1.0 2.0
   64    73    74    79   3.62500 -1.0 2.0
   64    73   -75    53  -0.11500  1.0 1.0
   64    73   -75    53   1.10450 -1.0 2.0
   64    73   -75    53  -0.48050  1.0 3.0
   64    73    75    76   1.05000 -1.0 2.0
   64    83    84    85   0.84100 -1.0 2.0
   73    64    83    81   3.62500 -1.0 2.0
   73    64    83    84   3.62500 -1.0 2.0
   73    74    77    78   3.62500 -1.0 2.0
   73    74   -77    81   3.62500 -1.0 2.0
   73    74    79    80   0.84100 -1.0 2.0
   74    73    75    53  -0.11500  1.0 1.0
   74    73    75    53   1.10450 -1.0 2.0
   74    73    75    53  -0.48050  1.0 3.0
   74    73    75    76   1.05000 -1.0 2.0
   74    77    81    82   3.62500 -1.0 2.0
   74    77    81    83   3.62500 -1.0 2.0
   77    74    79    80   0.84100 -1.0 2.0
   77    81   -83    64   3.62500 -1.0 2.0
   77    81    83    84   3.62500 -1.0 2.0
   78    77    81    82   3.62500 -1.0 2.0
   78    77    81    83   3.62500 -1.0 2.0
   81    83    84    85   0.84100 -1.0 2.0
   82    81    83    64   3.62500 -1.0 2.0
   82    81    83    84   3.62500 -1.0 2.0
   83    64   -73    74   3.62500 -1.0 2.0
   83    64    73    75   3.62500 -1.0 2.0
   79    74    77    78   3.62500 -1.0 2.0
   79    74    77    81   3.62500 -1.0 2.0
   75    53    57    58   7.00000 -1.0 2.0
   75    53   -57    61   7.00000 -1.0 2.0
   75    73    74    77   3.62500 -1.0 2.0
   75    73    74    79   3.62500 -1.0 2.0
   54    51    53    57   0.09850  1.0 1.0
   54    51    53    57   0.15250 -1.0 2.0
   54    51    53    57  -0.50650  1.0 3.0
   54    51    53    75   0.09700  1.0 1.0
   54    51    53    75   0.15600 -1.0 2.0
   54    51    53    75  -0.50800  1.0 3.0
   54    59    63    65   7.00000 -1.0 2.0
   54    59    63    69   7.00000 -1.0 2.0
   55    54    59    60   0.33100  1.0 3.0
   55    54    59    63   0.00000  1.0 1.0
   56    54    59    60   0.33100  1.0 3.0
   56    54    59    63   0.00000  1.0 1.0
   59    63    65    66   0.00000  1.0 1.0
   59    63    65    67   0.00000  1.0 1.0
   59    63    65    68   0.00000  1.0 1.0
   59    63    69    70   0.00000  1.0 1.0
   59    63    69    71   0.00000  1.0 1.0
   59    63    69    72   0.00000  1.0 1.0
   60    59    63    65   7.00000 -1.0 2.0
   60    59    63    69   7.00000 -1.0 2.0
   65    63    69    70   0.34800  1.0 3.0
   65    63    69    71   0.34800  1.0 3.0
   65    63    69    72   0.34800  1.0 3.0
   69    63    65    66   0.34800  1.0 3.0
   69    63    65    67   0.34800  1.0 3.0
   69    63    65    68   0.34800  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
   35    30    34    36  10.50000 -1.0 2.0
   45    50    48    49  10.50000 -1.0 2.0
   51    75    53    57   1.10000 -1.0 2.0
   61    58    57    53   1.10000 -1.0 2.0
   57    64    61    62  10.50000 -1.0 2.0
   73    83    64    61   4.00000 -1.0 2.0
   74    75    73    64   4.00000 -1.0 2.0
   77    79    74    73   4.00000 -1.0 2.0
   81    78    77    74   1.10000 -1.0 2.0
   83    82    81    77   1.10000 -1.0 2.0
   81    84    83    64   4.00000 -1.0 2.0
   53    73    75    76  10.50000 -1.0 2.0
   54    60    59    63  15.00000 -1.0 2.0
   65    69    63    59  15.00000 -1.0 2.0
END
