REMARK  Name = BDB003995
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.613  -1.202   0.276  0.00  0.00    +0.142 A 
ATOM      2  C   LIG    1       -1.592  -1.924   0.917  0.00  0.00    +0.083 A 
ATOM      3 CL   LIG    1       -1.899  -3.464   1.645  0.00  0.00    -0.080 Cl
ATOM      4  C   LIG    1       -0.287  -1.425   0.985  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1        0.012  -0.186   0.415  0.00  0.00    +0.043 A 
ATOM      6  C   LIG    1       -1.001   0.547  -0.213  0.00  0.00    +0.133 A 
ATOM      7  C   LIG    1       -2.302   0.035  -0.297  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1        1.391   0.327   0.496  0.00  0.00    +0.095 C 
ATOM      9  C   LIG    1        2.558  -0.566   0.253  0.00  0.00    +0.118 C 
ATOM     10  C   LIG    1        3.601   0.507   0.040  0.00  0.00    +0.317 C 
ATOM     11  O   LIG    1        3.112   1.627   0.778  0.00  0.00    -0.378 OA
ATOM     12  N   LIG    1        1.698   1.548   0.791  0.00  0.00    -0.088 NA
BRANCH  10  13
ATOM     13  C   LIG    1        4.963   0.045   0.539  0.00  0.00    +0.349 C 
ATOM     14  O   LIG    1        5.504   0.406   1.573  0.00  0.00    -0.247 OA
BRANCH  13  15
ATOM     15  O   LIG    1        5.553  -0.857  -0.289  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1        5.070  -1.043  -1.117  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   5   8
BRANCH   1  18
ATOM     17  C   LIG    1       -4.916  -1.044  -0.344  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1       -3.854  -1.780   0.248  0.00  0.00    -0.494 OA
ENDBRANCH   1  18
BRANCH   6  19
ATOM     19  O   LIG    1       -0.718   1.716  -0.868  0.00  0.00    -0.494 OA
ATOM     20  C   LIG    1       -1.152   2.841  -0.100  0.00  0.00    +0.277 C 
ENDBRANCH   6  19
TORSDOF 5