REMARK  Name = BDB002799
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.751  -0.429   0.389  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -2.175  -0.448   0.063  0.00  0.00    -0.347 N 
ATOM      3  C   LIG    1       -2.927   0.646  -0.345  0.00  0.00    +0.026 A 
ATOM      4  C   LIG    1       -2.313   1.989  -0.572  0.00  0.00    +0.064 C 
ATOM      5  C   LIG    1       -4.248   0.218  -0.484  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -4.247  -1.182  -0.220  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1       -2.973  -1.569   0.129  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.487  -2.921   0.519  0.00  0.00    +0.063 C 
BRANCH   5   9
ATOM      9  C   LIG    1       -5.456   0.980  -0.847  0.00  0.00    +0.179 C 
ATOM     10  O   LIG    1       -6.441   0.381  -1.283  0.00  0.00    -0.291 OA
BRANCH   9  11
ATOM     11  C   LIG    1       -5.448   2.486  -0.677  0.00  0.00    +0.188 C 
ATOM     12 CL   LIG    1       -7.093   3.130  -0.465  0.00  0.00    -0.117 Cl
ENDBRANCH   9  11
ENDBRANCH   5   9
ENDBRANCH   1   2
BRANCH   1  13
ATOM     13  C   LIG    1        0.122  -0.725  -0.830  0.00  0.00    +0.057 C 
BRANCH  13  17
ATOM     14  C   LIG    1        4.311  -0.580   0.233  0.00  0.00    +0.161 A 
ATOM     15  C   LIG    1        3.665   0.578  -0.243  0.00  0.00    +0.162 A 
ATOM     16  C   LIG    1        2.309   0.521  -0.591  0.00  0.00    +0.053 A 
ATOM     17  C   LIG    1        1.589  -0.678  -0.479  0.00  0.00    -0.042 A 
ATOM     18  C   LIG    1        2.240  -1.821  -0.005  0.00  0.00    +0.007 A 
ATOM     19  C   LIG    1        3.591  -1.773   0.347  0.00  0.00    +0.049 A 
BRANCH  14  21
ATOM     20  C   LIG    1        6.329  -1.592   1.018  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1        5.638  -0.440   0.558  0.00  0.00    -0.491 OA
ENDBRANCH  14  21
BRANCH  15  22
ATOM     22  O   LIG    1        4.438   1.711  -0.322  0.00  0.00    -0.491 OA
ATOM     23  C   LIG    1        3.858   2.869  -0.903  0.00  0.00    +0.277 C 
ENDBRANCH  15  22
ENDBRANCH  13  17
ENDBRANCH   1  13
TORSDOF 7