REMARK  Name = BDB013950
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.420  -0.978  -0.045  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.428  -0.187   0.797  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        0.830   0.837   1.372  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.892  -0.625   0.896  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -1.487  -1.775   0.245  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -0.810  -2.941  -0.176  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -1.546  -3.973  -0.825  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -2.912  -3.889  -1.054  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -3.587  -2.763  -0.634  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        0.643  -3.319   0.011  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -2.885  -1.735   0.003  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        1.589  -2.322   0.633  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        3.663  -0.487  -0.994  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.680  -0.236  -0.068  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        2.740   0.556   0.566  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        3.575  -1.421  -1.792  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        4.914   0.428  -0.898  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        4.564   1.916  -0.859  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        5.529   0.590  -3.285  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        5.890   0.086  -1.964  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        5.910  -0.937  -2.022  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -1.751   0.218   1.756  0.00  0.00    +0.152 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.430   1.407   1.087  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -3.410   2.127   1.806  0.00  0.00    +0.126 A 
ATOM     25  C   LIG    1       -4.043   3.228   1.219  0.00  0.00    +0.061 A 
ATOM     26  C   LIG    1       -3.699   3.622  -0.073  0.00  0.00    +0.021 A 
ATOM     27 BR   LIG    1       -4.560   5.112  -0.859  0.00  0.00    -0.050 Br
ATOM     28  C   LIG    1       -2.729   2.932  -0.791  0.00  0.00    +0.016 A 
ATOM     29  C   LIG    1       -2.096   1.832  -0.212  0.00  0.00    +0.010 A 
BRANCH  24  30
ATOM     30  O   LIG    1       -3.677   1.661   3.069  0.00  0.00    -0.495 OA
ATOM     31  C   LIG    1       -4.577   2.417   3.872  0.00  0.00    +0.277 C 
ENDBRANCH  24  30
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6