REMARK  Name = BDB033769
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.214   0.665  -0.661  0.00  0.00    +0.223 A 
ATOM      2  N   LIG    1       -1.528   0.572  -0.408  0.00  0.00    -0.179 NA
ATOM      3  C   LIG    1       -2.377   0.833  -1.420  0.00  0.00    +0.231 A 
ATOM      4  C   LIG    1       -1.976   1.169  -2.686  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -0.618   1.239  -2.852  0.00  0.00    +0.132 A 
ATOM      6  N   LIG    1        0.268   0.994  -1.867  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.930   1.436  -3.787  0.00  0.00    +0.424 C 
ATOM      8  F   LIG    1       -3.734   0.373  -4.066  0.00  0.00    -0.166 F 
ATOM      9  F   LIG    1       -3.757   2.488  -3.538  0.00  0.00    -0.166 F 
ATOM     10  F   LIG    1       -2.309   1.737  -4.965  0.00  0.00    -0.166 F 
ENDBRANCH   4   7
BRANCH   1  11
ATOM     11  N   LIG    1        0.617   0.386   0.419  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1        0.051   0.160   1.223  0.00  0.00    +0.155 HD
BRANCH  11  16
ATOM     13  C   LIG    1        4.775   0.346   1.115  0.00  0.00    +0.105 A 
ATOM     14  C   LIG    1        3.882  -0.016   2.122  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1        2.508   0.007   1.863  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1        2.003   0.398   0.609  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1        2.924   0.763  -0.380  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1        4.303   0.746  -0.134  0.00  0.00    +0.030 A 
BRANCH  13  19
ATOM     19  S   LIG    1        6.516   0.337   1.448  0.00  0.00    +0.058 S 
ATOM     20  O   LIG    1        6.701   0.751   2.821  0.00  0.00    -0.153 OA
ATOM     21  O   LIG    1        7.211   0.982   0.357  0.00  0.00    -0.153 OA
BRANCH  19  23
ATOM     22  C   LIG    1        7.123  -1.926   0.108  0.00  0.00    +0.127 C 
ATOM     23  N   LIG    1        6.873  -1.303   1.401  0.00  0.00    -0.193 NA
ATOM     24  H   LIG    1        7.418  -1.610   2.205  0.00  0.00    +0.148 HD
ENDBRANCH  19  23
ENDBRANCH  13  19
ENDBRANCH  11  16
ENDBRANCH   1  11
BRANCH   3  25
ATOM     25  O   LIG    1       -3.734   0.728  -1.195  0.00  0.00    -0.470 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -4.108   0.548   0.171  0.00  0.00    +0.203 C 
ATOM     27  C   LIG    1       -4.065  -0.920   0.615  0.00  0.00    +0.155 C 
ATOM     28  C   LIG    1       -4.932  -0.913   1.868  0.00  0.00    +0.035 C 
ATOM     29  C   LIG    1       -6.032   0.117   1.584  0.00  0.00    +0.006 C 
ATOM     30  C   LIG    1       -5.588   0.893   0.344  0.00  0.00    +0.047 C 
BRANCH  27  31
ATOM     31  O   LIG    1       -4.668  -1.780  -0.353  0.00  0.00    -0.388 OA
ATOM     32  H   LIG    1       -4.299  -1.529  -1.219  0.00  0.00    +0.210 HD
ENDBRANCH  27  31
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 8