REMARK  Name = BDB004406
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   UNK    1        1.456  -0.172   1.063  0.00  0.00    +0.168 A 
ATOM      2  C   UNK    1        1.995   1.077   0.773  0.00  0.00    +0.155 A 
ATOM      3  C   UNK    1        1.137   2.078   0.286  0.00  0.00    +0.029 A 
ATOM      4  C   UNK    1       -0.240   1.784   0.107  0.00  0.00    +0.007 A 
ATOM      5  C   UNK    1       -1.082   2.812  -0.383  0.00  0.00    +0.011 A 
ATOM      6  C   UNK    1       -0.590   4.083  -0.688  0.00  0.00    +0.016 A 
ATOM      7  C   UNK    1        0.758   4.356  -0.509  0.00  0.00    +0.019 A 
ATOM      8 BR   UNK    1        1.434   6.072  -0.921  0.00  0.00    -0.050 Br
ATOM      9  C   UNK    1       -0.683   0.474   0.430  0.00  0.00    +0.054 A 
ATOM     10  C   UNK    1        1.615   3.369  -0.028  0.00  0.00    +0.027 A 
ATOM     11  N   UNK    1        0.147  -0.498   0.900  0.00  0.00    -0.242 NA
ENDROOT
BRANCH   1  14
ATOM     12  N   UNK    1        1.668  -2.457   1.869  0.00  0.00    -0.299 N 
ATOM     13  H   UNK    1        0.687  -2.471   1.590  0.00  0.00    +0.150 HD
ATOM     14  C   UNK    1        2.316  -1.277   1.588  0.00  0.00    +0.266 C 
ATOM     15  O   UNK    1        3.519  -1.133   1.790  0.00  0.00    -0.268 OA
BRANCH  12  16
ATOM     16  C   UNK    1        2.356  -3.735   1.997  0.00  0.00    +0.225 C 
BRANCH  16  18
ATOM     17  O   UNK    1        3.272  -5.087   3.787  0.00  0.00    -0.249 OA
ATOM     18  C   UNK    1        3.138  -3.976   3.289  0.00  0.00    +0.322 C 
BRANCH  18  19
ATOM     19  O   UNK    1        3.777  -2.893   3.785  0.00  0.00    -0.480 OA
ATOM     20  H   UNK    1        3.728  -2.123   3.174  0.00  0.00    +0.295 HD
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH  12  16
ENDBRANCH   1  14
BRANCH   2  21
ATOM     21  O   UNK    1        3.326   1.372   0.942  0.00  0.00    -0.504 OA
ATOM     22  H   UNK    1        3.798   0.580   1.279  0.00  0.00    +0.292 HD
ENDBRANCH   2  21
BRANCH   9  23
ATOM     23  C   UNK    1       -2.131   0.042   0.271  0.00  0.00    +0.091 C 
BRANCH  23  24
ATOM     24  C   UNK    1       -2.584  -0.178  -1.157  0.00  0.00    -0.042 A 
ATOM     25  C   UNK    1       -3.812   0.345  -1.591  0.00  0.00    +0.004 A 
ATOM     26  C   UNK    1       -4.254   0.131  -2.898  0.00  0.00    +0.000 A 
ATOM     27  C   UNK    1       -3.480  -0.618  -3.782  0.00  0.00    +0.000 A 
ATOM     28  C   UNK    1       -2.268  -1.159  -3.359  0.00  0.00    +0.000 A 
ATOM     29  C   UNK    1       -1.825  -0.946  -2.052  0.00  0.00    +0.004 A 
ENDBRANCH  23  24
ENDBRANCH   9  23
TORSDOF 7