REMARK  Name = BDB019352
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.130   1.377  -0.349  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -0.153   0.625  -1.037  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1        1.154   0.509  -0.381  0.00  0.00    +0.164 C 
ATOM      4  C   LIG    1        1.958   1.673  -0.939  0.00  0.00    +0.065 C 
ATOM      5  C   LIG    1        1.544   1.635  -2.411  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1        0.087   1.117  -2.399  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1       -0.813   2.262   0.446  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.132   0.292   1.140  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        2.143   0.774   1.829  0.00  0.00    -0.310 N 
ATOM     10  H   LIG    1        1.719   0.364   2.659  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        0.269  -0.368   1.718  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        3.267   1.310   2.595  0.00  0.00    +0.139 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.226   0.213   2.972  0.00  0.00    -0.030 A 
ATOM     14  C   LIG    1        5.107  -0.314   2.014  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        5.981  -1.350   2.348  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        5.976  -1.868   3.641  0.00  0.00    +0.018 A 
ATOM     17 BR   LIG    1        7.156  -3.274   4.095  0.00  0.00    -0.050 Br
ATOM     18  C   LIG    1        5.103  -1.361   4.602  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1        4.227  -0.325   4.267  0.00  0.00    +0.006 A 
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   5  20
ATOM     20  O   LIG    1        2.416   0.750  -3.118  0.00  0.00    -0.390 OA
ATOM     21  H   LIG    1        2.098  -0.163  -3.012  0.00  0.00    +0.210 HD
ENDBRANCH   5  20
BRANCH   1  22
ATOM     22  C   LIG    1       -2.600   1.124  -0.796  0.00  0.00    +0.165 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -2.815  -0.242  -1.303  0.00  0.00    -0.281 N 
ATOM     24  C   LIG    1       -2.841  -0.553  -2.653  0.00  0.00    +0.248 C 
ATOM     25  O   LIG    1       -2.823   0.208  -3.602  0.00  0.00    -0.270 OA
ATOM     26  C   LIG    1       -2.851  -2.016  -2.754  0.00  0.00    +0.042 A 
ATOM     27  C   LIG    1       -2.771  -2.539  -1.466  0.00  0.00    -0.018 A 
ATOM     28  C   LIG    1       -2.746  -3.908  -1.269  0.00  0.00    +0.006 A 
ATOM     29  C   LIG    1       -2.804  -4.737  -2.396  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -2.884  -4.194  -3.692  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -2.907  -2.811  -3.882  0.00  0.00    +0.013 A 
ATOM     32  C   LIG    1       -2.714  -1.431  -0.466  0.00  0.00    +0.144 C 
ENDBRANCH  22  23
BRANCH  22  34
ATOM     33  C   LIG    1       -3.358   1.117   1.696  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1       -3.673   1.527   0.253  0.00  0.00    +0.012 C 
ATOM     35  C   LIG    1       -3.956   3.034   0.202  0.00  0.00    +0.009 C 
ENDBRANCH  22  34
ENDBRANCH   1  22
TORSDOF 7