* LIGAND DATABASE FILE (OPLS2005)
*
001      86    85    153    217     443
    1     0 S   NP   _N1_     1    28.23787    96.06099   -25.82066
    2     1 S   H    _HN1     2     1.02836    29.91667   178.75306
    3     1 S   H    _H1_     3     1.02777   116.83529  -102.13224
    4     1 S   H    _H2_     4     1.02958    77.19292     2.13836
    5     1 S   CT   _CA1     5     1.50139   124.52475   108.23290
    6     5 S   HC   _HA1     6     1.09575   105.21046    89.37359
    7     5 S   CO3  _C1_     7     1.53778   112.32751   -30.81449
    8     7 S   O2Z  _O11     8     1.26367   114.99089   -44.49769
    9     7 S   O2Z  _O12     9     1.26230   114.92723   134.52681
   10     5 S   CT   _CB1    10     1.53085   107.41123  -152.73094
   11    10 S   HC   HB11    11     1.09829   109.32561   -50.41967
   12    10 S   HC   HB12    12     1.09815   110.43396    66.12828
   13    10 S   CT   _CG1    13     1.53026   112.68361  -171.47659
   14    13 S   HC   HG11    14     1.09593   110.51296   -64.56914
   15    13 S   HC   HG12    15     1.09657   109.90972    54.64735
   16    13 S   C    _CD1    16     1.51842   112.25598   175.01312
   17    16 S   O    _OE1    17     1.22760   123.26047     1.33603
   18    16 S   N    _N2_    18     1.38548   111.75301  -178.67766
   19    18 S   H    _HN2    19     1.01553   119.12095     4.06390
   20    18 S   CT1  _CA2    20     1.45865   122.84014   178.05690
   21    20 S   HC   _HA2    21     1.09726   108.86572    25.26154
   22    20 S   C    _C2_    22     1.52919   106.86800   -91.86070
   23    22 S   O    _O2_    23     1.23001   122.98921   -28.76817
   24    20 S   CT   _CB2    32     1.53274   112.34747   148.43850
   25    24 S   HC   HB21    33     1.09525   109.78044    54.83892
   26    24 S   HC   HB22    34     1.09462   109.73661   173.68174
   27    22 S   N    _N3_    24     1.38496   112.65462   153.89822
   28    27 S   H    _HN3    25     1.01665   120.34116    -1.72124
   29    24 S   S    _SG2    35     1.83057   110.77753   -65.49144
   30    27 S   CT   _CA3    26     1.45345   122.39634   178.64160
   31    30 S   HC   HA31    27     1.09572   107.60590   -59.21977
   32    30 S   HC   HA32    28     1.09566   107.77936    57.06159
   33    29 S   CT   _C16    36     1.86602   101.96749  -172.59305
   34    33 S   OM   _O39    37     1.32179   108.06134    69.92516
   35    30 S   CO3  _C3_    29     1.52868   114.43084   178.86910
   36    35 S   O2Z  _O31    30     1.26316   116.11141    -4.25625
   37    35 S   O2Z  _O32    31     1.26449   114.38902   175.82561
   38    33 S   CT   _C17    38     1.55456   107.62743  -174.79425
   39    38 S   HC   _H19    39     1.10136   110.36229   -57.04695
   40    38 S   HC   _H20    40     1.10009   110.32125  -173.79730
   41    33 S   CT   _C15    53     1.55048   110.97651   -50.10441
   42    41 S   HC   _H17    54     1.09961   112.40277    73.06466
   43    41 S   HC   _H18    55     1.09697   110.16160   -44.21009
   44    38 S   CO4  _C18    41     1.53087   117.45615    64.84845
   45    44 S   O    _O37    42     1.22860   123.15434     1.68481
   46    41 S   CO4  _C14    56     1.53148   115.37654  -165.73589
   47    46 S   O    _O36    57     1.23064   121.53294   -57.52127
   48    44 S   CT   _C19    43     1.51782   115.08360  -176.60189
   49    48 S   HC   _H21    44     1.09566   106.49608    74.82983
   50    48 S   HC   _H22    45     1.09599   108.35109   -42.41240
   51    46 S   CT   _C13    58     1.52537   116.32728   126.19380
   52    51 S   HC   _H15    59     1.09616   106.44156    75.66301
   53    51 S   HC   _H16    60     1.09496   108.36770   -40.61364
   54    48 S   CO4  _C20    46     1.51098   115.66424  -162.60020
   55    54 S   O    _O38    47     1.22414   124.38192    23.37858
   56    51 S   CT   _C12    61     1.53334   115.15877  -162.29247
   57    56 S   HC   _H3_    62     1.09666   107.88465   179.06812
   58    54 S   S    _S1_    48     1.76816   113.22646  -159.29744
   59    56 S   CT   _C11    63     1.52999   112.80605    57.80131
   60    59 S   HC   _H13    64     1.09516   110.66442   -75.84483
   61    59 S   HC   _H14    65     1.09475   109.84505    44.80400
   62    56 S   OH   _O40    85     1.42605   110.17758   -64.60840
   63    62 S   HO   _H26    86     0.97213   107.71907   -56.03032
   64    58 S   CT   _C21    49     1.80590   100.35376  -173.79698
   65    64 S   HC   _H23    50     1.09322   109.23680   178.86495
   66    64 S   HC   _H24    51     1.09298   110.67056    59.52002
   67    64 S   HC   _H25    52     1.09332   110.49150   -61.82691
   68    59 S   CO4  _C10    66     1.52313   113.11772   164.47714
   69    68 S   O    _O35    67     1.23040   123.08926    -2.05443
   70    68 S   CT   _C9_    68     1.51323   116.20274   179.36511
   71    70 S   HC   _H11    69     1.09521   108.46756  -159.09974
   72    70 S   HC   _H12    70     1.09491   108.41453   -42.15841
   73    70 S   CO4  _C8_    71     1.51196   114.07324    79.88178
   74    73 S   O    _O34    72     1.22958   121.67510     8.02240
   75    73 S   CT   _C7_    73     1.51366   115.98765  -170.17563
   76    75 S   HC   _H9_    74     1.09495   109.06611   -39.26130
   77    75 S   HC   _H10    75     1.09513   106.84123    78.35339
   78    75 S   CO4  _C6_    76     1.51498   115.76256  -160.02931
   79    78 S   O    _O33    77     1.23011   122.00671    28.90608
   80    78 S   CT   _C5_    78     1.51954   115.82091  -154.17251
   81    80 S   HC   _H7_    79     1.09494   108.11128   -61.06698
   82    80 S   HC   _H8_    80     1.09494   108.29041    56.50810
   83    80 S   CT   _C4_    81     1.51802   112.68290   177.50801
   84    83 S   HC   _H4_    82     1.09498   111.06312   -59.23649
   85    83 S   HC   _H5_    83     1.09501   111.05778    60.73435
   86    83 S   HC   _H6_    84     1.09430   110.38006  -179.28591
  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
  13   8   2   1   1  12   5   4   9   4   3   7   4   8   4   6
   4   3  10   5   4   6   2   9   6   4  10   5   4   2   1   3
   2   1   1   7   4   8   4   3   7   4   8   4   3   8   4   6
   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    41    42    43    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    45    48    41    42    43    46    47    51  
   38    39    40    44    41    42    43    46  
   36    37  
   37  
    0  
   39    40    44    45    48    49    50    54    41    42    43    46  
   40    44    45    48    41  
   44    45    48    41  
   42    43    46    47    51    52    53    56    44  
   43    46    47    51  
   46    47    51  
   45    48    49    50    54    55    58  
   48    49    50    54  
   47    51    52    53    56    57    59    62  
   51    52    53    56  
   49    50    54    55    58    64  
   50    54    55    58  
   54    55    58  
   52    53    56    57    59    60    61    68    62    63  
   53    56    57    59    62  
   56    57    59    62  
   55    58    64    65    66    67  
   58    64  
   57    59    60    61    68    69    70    62    63  
   59    60    61    68    62    63  
   64    65    66    67  
   60    61    68    69    70    71    72    73    62    63  
   61    68    69    70    62  
   68    69    70    62  
   63    68  
    0  
   65    66    67  
   66    67  
   67  
    0  
   69    70    71    72    73    74    75  
   70    71    72    73  
   71    72    73    74    75    76    77    78  
   72    73    74    75  
   73    74    75  
   74    75    76    77    78    79    80  
   75    76    77    78  
   76    77    78    79    80    81    82    83  
   77    78    79    80  
   78    79    80  
   79    80    81    82    83    84    85    86  
   80    81    82    83  
   81    82    83    84    85    86  
   82    83    84    85    86  
   83    84    85    86  
   84    85    86  
   85    86  
   86  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.6000   0.3550  -0.219900   2.0300   1.8000   0.025682759  -1.666211680
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    44   317.000  1.522
   44    45   570.000  1.229
   44    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    54   317.000  1.522
   54    55   570.000  1.229
   54    58   210.000  1.799
   58    64   222.000  1.810
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    46   317.000  1.522
   46    47   570.000  1.229
   46    51   317.000  1.522
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   268.000  1.529
   56    57   340.000  1.090
   56    59   268.000  1.529
   56    62   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    68   317.000  1.522
   68    69   570.000  1.229
   68    70   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   317.000  1.522
   73    74   570.000  1.229
   73    75   317.000  1.522
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   317.000  1.522
   78    79   570.000  1.229
   78    80   317.000  1.522
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   62    63   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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    44    63.00000  111.10000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    46    63.00000  111.10000
   38    33    34    50.00000  109.50000
   38    44    45    80.00000  120.40000
   38    44    48    70.00000  116.00000
   40    38    39    33.00000  107.80000
   44    38    39    35.00000  109.50000
   44    38    40    35.00000  109.50000
   44    48    49    35.00000  109.50000
   44    48    50    35.00000  109.50000
   44    48    54    75.00000  107.99600
   48    44    45    80.00000  120.40000
   48    54    55    80.00000  120.40000
   48    54    58    70.00000  114.16300
   50    48    49    33.00000  107.80000
   54    48    49    35.00000  109.50000
   54    48    50    35.00000  109.50000
   54    58    64    90.00000   96.72000
   58    54    55    80.00000  121.30200
   58    64    65    35.00000  109.50000
   58    64    66    35.00000  109.50000
   58    64    67    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   41    33    34    50.00000  109.50000
   41    33    38    58.35000  112.70000
   41    46    47    80.00000  120.40000
   41    46    51    70.00000  116.00000
   43    41    42    33.00000  107.80000
   46    41    42    35.00000  109.50000
   46    41    43    35.00000  109.50000
   46    51    52    35.00000  109.50000
   46    51    53    35.00000  109.50000
   46    51    56    63.00000  111.10000
   51    46    47    80.00000  120.40000
   51    56    57    37.50000  110.70000
   51    56    59    58.35000  112.70000
   51    56    62    50.00000  109.50000
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   56    59    60    37.50000  110.70000
   56    59    61    37.50000  110.70000
   56    59    68    63.00000  111.10000
   56    62    63    55.00000  108.50000
   59    56    57    37.50000  110.70000
   59    68    69    80.00000  120.40000
   59    68    70    70.00000  116.00000
   61    59    60    33.00000  107.80000
   68    59    60    35.00000  109.50000
   68    59    61    35.00000  109.50000
   68    70    71    35.00000  109.50000
   68    70    72    35.00000  109.50000
   68    70    73    75.00000  107.99600
   70    68    69    80.00000  120.40000
   70    73    74    80.00000  120.40000
   70    73    75    70.00000  116.00000
   72    70    71    33.00000  107.80000
   73    70    71    35.00000  109.50000
   73    70    72    35.00000  109.50000
   73    75    76    35.00000  109.50000
   73    75    77    35.00000  109.50000
   73    75    78    75.00000  107.99600
   75    73    74    80.00000  120.40000
   75    78    79    80.00000  120.40000
   75    78    80    70.00000  116.00000
   77    75    76    33.00000  107.80000
   78    75    76    35.00000  109.50000
   78    75    77    35.00000  109.50000
   78    80    81    35.00000  109.50000
   78    80    82    35.00000  109.50000
   78    80    83    63.00000  111.10000
   80    78    79    80.00000  120.40000
   80    83    84    37.50000  110.70000
   80    83    85    37.50000  110.70000
   80    83    86    37.50000  110.70000
   82    80    81    33.00000  107.80000
   83    80    81    37.50000  110.70000
   83    80    82    37.50000  110.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   62    56    57    35.00000  109.50000
   62    56    59    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  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    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
   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    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  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    46   0.56750  1.0 1.0
   29    33    41    46  -0.07550 -1.0 2.0
   29    33    41    46   0.20000  1.0 3.0
   33    38    44    45   0.30150 -1.0 2.0
   33    38    44    48   0.60050  1.0 1.0
   33    38    44    48   0.05600 -1.0 2.0
   33    38    44    48   0.26150  1.0 3.0
   33    41    46    47   0.30150 -1.0 2.0
   33    41    46    51   0.60050  1.0 1.0
   33    41    46    51   0.05600 -1.0 2.0
   33    41    46    51   0.26150  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    44  -0.09450  1.0 1.0
   34    33    38    44  -1.12950 -1.0 2.0
   34    33    38    44   0.54000  1.0 3.0
   34    33    41    42   0.23400  1.0 3.0
   34    33    41    43   0.23400  1.0 3.0
   34    33    41    46  -0.09450  1.0 1.0
   34    33    41    46  -1.12950 -1.0 2.0
   34    33    41    46   0.54000  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    43   0.15000  1.0 3.0
   38    33    41    46  -0.95700  1.0 1.0
   38    33    41    46  -0.18200 -1.0 2.0
   38    33    41    46   0.29450  1.0 3.0
   38    44    48    49   0.00000  1.0 1.0
   38    44    48    50   0.00000  1.0 1.0
   38    44    48    54   0.65300  1.0 1.0
   38    44    48    54  -0.03850 -1.0 2.0
   38    44    48    54   0.33900  1.0 3.0
   39    38    44    45   0.00000  1.0 1.0
   39    38    44    48   0.00000  1.0 1.0
   40    38    44    45   0.00000  1.0 1.0
   40    38    44    48   0.00000  1.0 1.0
   44    48    54    55   0.30150 -1.0 2.0
   44    48    54    58   0.00000  1.0 1.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    50   0.00000  1.0 1.0
   45    44    48    54   0.30150 -1.0 2.0
   48    54    58    64  -0.11550  1.0 1.0
   48    54    58    64   1.88700 -1.0 2.0
   49    48    54    55   0.00000  1.0 1.0
   49    48    54    58   0.00000  1.0 1.0
   50    48    54    55   0.00000  1.0 1.0
   50    48    54    58   0.00000  1.0 1.0
   54    58    64    65   0.24000  1.0 3.0
   54    58    64    66   0.24000  1.0 3.0
   54    58    64    67   0.24000  1.0 3.0
   55    54    58    64  -0.11550  1.0 1.0
   55    54    58    64   1.88700 -1.0 2.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    44  -0.95700  1.0 1.0
   41    33    38    44  -0.18200 -1.0 2.0
   41    33    38    44   0.29450  1.0 3.0
   41    46    51    52   0.00000  1.0 1.0
   41    46    51    53   0.00000  1.0 1.0
   41    46    51    56   0.60050  1.0 1.0
   41    46    51    56   0.05600 -1.0 2.0
   41    46    51    56   0.26150  1.0 3.0
   42    41    46    47   0.00000  1.0 1.0
   42    41    46    51   0.00000  1.0 1.0
   43    41    46    47   0.00000  1.0 1.0
   43    41    46    51   0.00000  1.0 1.0
   46    51    56    57  -0.11250  1.0 3.0
   46    51    56    59  -0.95700  1.0 1.0
   46    51    56    59  -0.18200 -1.0 2.0
   46    51    56    59   0.29450  1.0 3.0
   46    51    56    62  -0.09450  1.0 1.0
   46    51    56    62  -1.12950 -1.0 2.0
   46    51    56    62   0.54000  1.0 3.0
   47    46    51    52   0.00000  1.0 1.0
   47    46    51    53   0.00000  1.0 1.0
   47    46    51    56   0.30150 -1.0 2.0
   51    56    59    60   0.15000  1.0 3.0
   51    56    59    61   0.15000  1.0 3.0
   51    56    59    68  -0.95700  1.0 1.0
   51    56    59    68  -0.18200 -1.0 2.0
   51    56    59    68   0.29450  1.0 3.0
   51    56    62    63  -0.11600  1.0 1.0
   51    56    62    63  -0.09450 -1.0 2.0
   51    56    62    63   0.21250  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    59   0.15000  1.0 3.0
   52    51    56    62   0.23400  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    59   0.15000  1.0 3.0
   53    51    56    62   0.23400  1.0 3.0
   56    59    68    69   0.30150 -1.0 2.0
   56    59    68    70   0.60050  1.0 1.0
   56    59    68    70   0.05600 -1.0 2.0
   56    59    68    70   0.26150  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    61   0.15000  1.0 3.0
   57    56    59    68  -0.11250  1.0 3.0
   57    56    62    63   0.19450  1.0 3.0
   59    56    62    63  -0.11600  1.0 1.0
   59    56    62    63  -0.09450 -1.0 2.0
   59    56    62    63   0.21250  1.0 3.0
   59    68    70    71   0.00000  1.0 1.0
   59    68    70    72   0.00000  1.0 1.0
   59    68    70    73   0.65300  1.0 1.0
   59    68    70    73  -0.03850 -1.0 2.0
   59    68    70    73   0.33900  1.0 3.0
   60    59    68    69   0.00000  1.0 1.0
   60    59    68    70   0.00000  1.0 1.0
   61    59    68    69   0.00000  1.0 1.0
   61    59    68    70   0.00000  1.0 1.0
   68    70    73    74   0.30150 -1.0 2.0
   68    70    73    75   0.65300  1.0 1.0
   68    70    73    75  -0.03850 -1.0 2.0
   68    70    73    75   0.33900  1.0 3.0
   69    68    70    71   0.00000  1.0 1.0
   69    68    70    72   0.00000  1.0 1.0
   69    68    70    73   0.30150 -1.0 2.0
   70    73    75    76   0.00000  1.0 1.0
   70    73    75    77   0.00000  1.0 1.0
   70    73    75    78   0.65300  1.0 1.0
   70    73    75    78  -0.03850 -1.0 2.0
   70    73    75    78   0.33900  1.0 3.0
   71    70    73    74   0.00000  1.0 1.0
   71    70    73    75   0.00000  1.0 1.0
   72    70    73    74   0.00000  1.0 1.0
   72    70    73    75   0.00000  1.0 1.0
   73    75    78    79   0.30150 -1.0 2.0
   73    75    78    80   0.65300  1.0 1.0
   73    75    78    80  -0.03850 -1.0 2.0
   73    75    78    80   0.33900  1.0 3.0
   74    73    75    76   0.00000  1.0 1.0
   74    73    75    77   0.00000  1.0 1.0
   74    73    75    78   0.30150 -1.0 2.0
   75    78    80    81   0.00000  1.0 1.0
   75    78    80    82   0.00000  1.0 1.0
   75    78    80    83   0.60050  1.0 1.0
   75    78    80    83   0.05600 -1.0 2.0
   75    78    80    83   0.26150  1.0 3.0
   76    75    78    79   0.00000  1.0 1.0
   76    75    78    80   0.00000  1.0 1.0
   77    75    78    79   0.00000  1.0 1.0
   77    75    78    80   0.00000  1.0 1.0
   78    80    83    84  -0.11250  1.0 3.0
   78    80    83    85  -0.11250  1.0 3.0
   78    80    83    86  -0.11250  1.0 3.0
   79    78    80    81   0.00000  1.0 1.0
   79    78    80    82   0.00000  1.0 1.0
   79    78    80    83   0.30150 -1.0 2.0
   81    80    83    84   0.15000  1.0 3.0
   81    80    83    85   0.15000  1.0 3.0
   81    80    83    86   0.15000  1.0 3.0
   82    80    83    84   0.15000  1.0 3.0
   82    80    83    85   0.15000  1.0 3.0
   82    80    83    86   0.15000  1.0 3.0
   62    56    59    60   0.23400  1.0 3.0
   62    56    59    61   0.23400  1.0 3.0
   62    56    59    68  -0.09450  1.0 1.0
   62    56    59    68  -1.12950 -1.0 2.0
   62    56    59    68   0.54000  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
   38    48    44    45  10.50000 -1.0 2.0
   48    58    54    55  10.50000 -1.0 2.0
   41    51    46    47  10.50000 -1.0 2.0
   59    70    68    69  10.50000 -1.0 2.0
   70    75    73    74  10.50000 -1.0 2.0
   75    80    78    79  10.50000 -1.0 2.0
END
