REMARK  Name = BDB013966
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.616  -0.735  -0.608  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.855  -0.702   0.734  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        1.363  -0.149   1.718  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.436  -1.236   0.750  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -0.946  -2.149  -0.237  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -0.106  -3.082  -0.883  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -0.639  -3.943  -1.859  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -2.000  -3.924  -2.165  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -2.838  -3.032  -1.509  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        1.337  -3.260  -0.486  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -2.316  -2.155  -0.554  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        2.216  -2.100  -0.919  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        3.084   1.006  -1.640  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.672   0.277  -0.536  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        3.042   0.480   0.394  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        2.620   0.820  -2.769  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        4.163   2.066  -1.326  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        3.722   3.437  -1.837  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        5.617   1.502  -3.260  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        5.506   1.647  -1.804  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        6.180   2.351  -1.502  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -1.298  -0.874   1.887  0.00  0.00    +0.149 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.135   0.398   1.720  0.00  0.00    -0.022 A 
ATOM     24  C   LIG    1       -3.205   0.686   2.627  0.00  0.00    -0.012 A 
ATOM     25  C   LIG    1       -3.937   1.901   2.494  0.00  0.00    -0.004 A 
ATOM     26  C   LIG    1       -4.980   2.167   3.419  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1       -5.324   1.270   4.427  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -4.627   0.083   4.548  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -3.596   2.784   1.438  0.00  0.00    +0.026 A 
ATOM     30 BR   LIG    1       -4.541   4.407   1.095  0.00  0.00    -0.050 Br
ATOM     31  C   LIG    1       -2.555   2.495   0.559  0.00  0.00    +0.016 A 
ATOM     32  C   LIG    1       -3.577  -0.196   3.671  0.00  0.00    +0.009 A 
ATOM     33  C   LIG    1       -1.824   1.323   0.709  0.00  0.00    +0.007 A 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5