REMARK  Name = BDB017735
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.600   0.150  -1.010  0.00  0.00    +0.245 C 
ATOM      2  N   LIG    1       -1.368  -0.868  -0.495  0.00  0.00    -0.307 N 
ATOM      3  H   LIG    1       -1.158  -1.265   0.413  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.807   0.692  -2.086  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1        2.865   1.087   0.211  0.00  0.00    +0.126 A 
ATOM      6  C   LIG    1        1.845   0.691  -0.669  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1        2.112   0.444  -2.129  0.00  0.00    +0.048 C 
ATOM      8  C   LIG    1        0.538   0.571  -0.149  0.00  0.00    +0.044 A 
ATOM      9  C   LIG    1        0.261   0.877   1.193  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1        1.286   1.311   2.024  0.00  0.00    +0.022 A 
ATOM     11 BR   LIG    1        0.913   1.754   3.823  0.00  0.00    -0.050 Br
ATOM     12  C   LIG    1        2.584   1.427   1.538  0.00  0.00    +0.061 A 
BRANCH   5  13
ATOM     13  O   LIG    1        4.163   1.250  -0.204  0.00  0.00    -0.489 OA
BRANCH  13  14
ATOM     14  C   LIG    1        4.909   0.012  -0.206  0.00  0.00    +0.170 C 
ATOM     15  C   LIG    1        5.958   0.149  -1.310  0.00  0.00    +0.052 C 
BRANCH  14  17
ATOM     16  C   LIG    1        6.408  -1.468   1.258  0.00  0.00    +0.007 C 
ATOM     17  C   LIG    1        5.562  -0.207   1.170  0.00  0.00    +0.041 C 
ENDBRANCH  14  17
ENDBRANCH  13  14
ENDBRANCH   5  13
ENDBRANCH   1   8
BRANCH   2  18
ATOM     18  C   LIG    1       -2.590  -1.314  -1.126  0.00  0.00    +0.145 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.756  -0.641  -0.463  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1       -4.088  -1.175   0.900  0.00  0.00    +0.254 A 
ATOM     21  O   LIG    1       -3.412  -2.046   1.440  0.00  0.00    -0.268 OA
ATOM     22  N   LIG    1       -5.179  -0.629   1.527  0.00  0.00    -0.326 N 
ATOM     23  H   LIG    1       -5.386  -1.003   2.445  0.00  0.00    +0.169 HD
ATOM     24  C   LIG    1       -5.953   0.376   1.003  0.00  0.00    +0.016 A 
ATOM     25  C   LIG    1       -7.098   0.863   1.836  0.00  0.00    +0.063 C 
ATOM     26  C   LIG    1       -5.649   0.868  -0.207  0.00  0.00    +0.024 A 
ATOM     27  C   LIG    1       -4.524   0.348  -0.972  0.00  0.00    -0.039 A 
ATOM     28  C   LIG    1       -4.323   1.011  -2.308  0.00  0.00    +0.044 C 
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 6