REMARK  Name = BDB046559
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.074  -1.276   0.065  0.00  0.00    +0.097 A 
ATOM      2  C   LIG    1       -1.349  -0.069  -0.030  0.00  0.00    +0.101 A 
ATOM      3  N   LIG    1        0.001  -0.029   0.170  0.00  0.00    -0.209 NA
ATOM      4  C   LIG    1        0.604  -1.207   0.431  0.00  0.00    +0.234 A 
ATOM      5  C   LIG    1       -0.102  -2.395   0.496  0.00  0.00    +0.178 A 
ATOM      6  N   LIG    1       -1.442  -2.459   0.315  0.00  0.00    -0.248 NA
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -1.933   1.242  -0.368  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -2.709   1.432  -1.526  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -3.258   2.682  -1.831  0.00  0.00    +0.016 A 
ATOM     10  C   LIG    1       -3.027   3.763  -0.985  0.00  0.00    +0.018 A 
ATOM     11 BR   LIG    1       -3.769   5.451  -1.395  0.00  0.00    -0.050 Br
ATOM     12  C   LIG    1       -2.249   3.608   0.158  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1       -1.703   2.357   0.459  0.00  0.00    +0.011 A 
ENDBRANCH   2   7
BRANCH   1  17
ATOM     14  C   LIG    1       -6.341  -1.676  -0.331  0.00  0.00    +0.052 A 
ATOM     15  C   LIG    1       -5.481  -2.483  -1.079  0.00  0.00    +0.019 A 
ATOM     16  C   LIG    1       -4.096  -2.347  -0.941  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1       -3.538  -1.399  -0.064  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1       -4.421  -0.609   0.694  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1       -5.808  -0.740   0.558  0.00  0.00    +0.019 A 
BRANCH  14  21
ATOM     20  N   LIG    1       -8.911  -1.919  -0.586  0.00  0.00    -0.191 NA
ATOM     21  C   LIG    1       -7.761  -1.812  -0.470  0.00  0.00    +0.099 C 
ENDBRANCH  14  21
ENDBRANCH   1  17
BRANCH   4  22
ATOM     22  O   LIG    1        1.965  -1.263   0.638  0.00  0.00    -0.475 OA
BRANCH  22  23
ATOM     23  C   LIG    1        2.604   0.014   0.547  0.00  0.00    +0.234 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.108  -0.168   0.786  0.00  0.00    +0.029 C 
ATOM     25  C   LIG    1        4.826   1.194   0.842  0.00  0.00    +0.022 C 
ATOM     26  C   LIG    1        6.252   1.149   0.286  0.00  0.00    +0.081 C 
ATOM     27  N   LIG    1        6.904  -0.104   0.637  0.00  0.00    -0.316 NA
ATOM     28  H   LIG    1        7.888  -0.081   0.371  0.00  0.00    +0.122 HD
ATOM     29  C   LIG    1        6.255  -1.261   0.018  0.00  0.00    +0.081 C 
ATOM     30  C   LIG    1        4.760  -1.069  -0.269  0.00  0.00    +0.022 C 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6