REMARK  Name = BDB029833
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.833  -1.210  -0.356  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.729  -1.191  -1.191  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.635  -0.484  -1.926  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        1.807  -1.804   0.720  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        5.380   0.129  -0.346  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        4.197  -0.542   0.012  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        3.050  -0.480  -0.797  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        3.096   0.263  -1.975  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        2.014   0.346  -2.768  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        4.264   0.930  -2.342  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        4.322   1.844  -3.802  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        5.402   0.866  -1.536  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1        9.818   0.764   1.793  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        8.491   0.313   1.463  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        7.718   0.751   0.423  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        6.544   0.033   0.522  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        6.602  -0.823   1.599  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        7.782  -0.632   2.143  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -0.591  -1.646  -0.554  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -0.405  -2.027   0.389  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -1.758  -0.403  -0.443  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -1.733   0.074   0.920  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -1.547   0.480  -1.570  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -3.254  -1.345  -0.704  0.00  0.00    +0.191 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.484  -0.451  -0.756  0.00  0.00    +0.030 C 
ATOM     26  C   LIG    1       -4.847   0.202   0.581  0.00  0.00    +0.113 C 
ATOM     27  N   LIG    1       -6.289   0.377   0.518  0.00  0.00    -0.299 N 
ATOM     28  C   LIG    1       -6.965   1.130   1.454  0.00  0.00    +0.241 C 
ATOM     29  O   LIG    1       -6.394   1.667   2.403  0.00  0.00    -0.273 OA
ATOM     30  C   LIG    1       -6.865  -0.298  -0.632  0.00  0.00    +0.108 C 
ATOM     31  C   LIG    1       -5.758  -1.231  -1.101  0.00  0.00    +0.025 C 
BRANCH  28  32
ATOM     32  C   LIG    1       -8.481   1.272   1.270  0.00  0.00    +0.251 C 
BRANCH  32  33
ATOM     33  O   LIG    1       -8.864   1.845   0.030  0.00  0.00    -0.386 OA
ATOM     34  H   LIG    1       -8.465   2.733   0.009  0.00  0.00    +0.210 HD
ENDBRANCH  32  33
ENDBRANCH  28  32
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 8