REMARK  Name = BDB002990
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.765   1.980  -0.079  0.00  0.00    +0.021 C 
ATOM      2  C   LIG    1        1.593   2.188   0.911  0.00  0.00    +0.053 C 
ATOM      3  C   LIG    1        1.661   1.036   1.901  0.00  0.00    +0.223 C 
ATOM      4  O   LIG    1        2.377   0.985   2.888  0.00  0.00    -0.275 OA
ATOM      5  N   LIG    1        0.847   0.009   1.402  0.00  0.00    -0.289 N 
ATOM      6  C   LIG    1        0.161   0.410   0.164  0.00  0.00    +0.115 C 
ATOM      7  C   LIG    1        0.182   1.939   0.328  0.00  0.00    +0.051 C 
ATOM      8  C   LIG    1       -0.126   2.897  -0.782  0.00  0.00    -0.025 C 
ATOM      9  C   LIG    1        0.368   4.147  -0.729  0.00  0.00    -0.031 C 
ATOM     10  C   LIG    1        1.290   4.641   0.368  0.00  0.00    +0.028 C 
ATOM     11  C   LIG    1        1.615   3.608   1.474  0.00  0.00    +0.020 C 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -1.247  -0.149   0.019  0.00  0.00    -0.012 A 
ATOM     13  C   LIG    1       -1.766  -0.640  -1.202  0.00  0.00    +0.031 A 
ATOM     14 BR   LIG    1       -0.669  -0.605  -2.779  0.00  0.00    -0.049 Br
ATOM     15  C   LIG    1       -3.100  -1.153  -1.298  0.00  0.00    -0.004 A 
ATOM     16  C   LIG    1       -3.906  -1.147  -0.134  0.00  0.00    -0.017 A 
ATOM     17  C   LIG    1       -5.221  -1.639  -0.171  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1       -5.767  -2.144  -1.348  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -5.002  -2.163  -2.504  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -3.395  -0.644   1.066  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1       -3.692  -1.675  -2.479  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1       -2.094  -0.151   1.140  0.00  0.00    +0.007 A 
ENDBRANCH   6  12
BRANCH   5  23
ATOM     23  C   LIG    1        1.044  -1.378   1.794  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1        1.943  -2.120   0.836  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        3.333  -1.939   0.883  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        4.164  -2.598  -0.023  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        3.614  -3.442  -0.986  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        2.234  -3.629  -1.044  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        1.401  -2.971  -0.138  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH   5  23
TORSDOF 3