REMARK  Name = BDB002444
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.844   1.173   0.378  0.00  0.00    +0.195 C 
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1       -3.584  -1.308  -0.540  0.00  0.00    +0.166 A 
ATOM      3  C   LIG    1       -4.454  -1.152   0.552  0.00  0.00    +0.204 A 
ATOM      4  C   LIG    1       -4.143  -0.287   1.615  0.00  0.00    +0.166 A 
ATOM      5  C   LIG    1       -2.971   0.470   1.549  0.00  0.00    +0.055 A 
ATOM      6  C   LIG    1       -2.109   0.360   0.447  0.00  0.00    -0.015 A 
ATOM      7  C   LIG    1       -2.418  -0.541  -0.587  0.00  0.00    +0.055 A 
BRANCH   2   9
ATOM      8  C   LIG    1       -2.976  -2.614  -2.436  0.00  0.00    +0.277 C 
ATOM      9  O   LIG    1       -3.969  -2.201  -1.506  0.00  0.00    -0.491 OA
ENDBRANCH   2   9
BRANCH   3  10
ATOM     10  O   LIG    1       -5.591  -1.928   0.625  0.00  0.00    -0.488 OA
ATOM     11  C   LIG    1       -6.681  -1.242   0.012  0.00  0.00    +0.277 C 
ENDBRANCH   3  10
BRANCH   4  12
ATOM     12  O   LIG    1       -5.048  -0.234   2.644  0.00  0.00    -0.491 OA
ATOM     13  C   LIG    1       -4.612   0.362   3.858  0.00  0.00    +0.277 C 
ENDBRANCH   4  12
ENDBRANCH   1   6
BRANCH   1  14
ATOM     14  O   LIG    1        0.243   0.321   0.728  0.00  0.00    -0.373 OA
BRANCH  14  15
ATOM     15  C   LIG    1        1.522   0.877   0.385  0.00  0.00    +0.192 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.899   0.432  -1.031  0.00  0.00    +0.154 C 
BRANCH  16  17
ATOM     17  O   LIG    1        1.935  -1.003  -1.086  0.00  0.00    -0.388 OA
ATOM     18  H   LIG    1        1.214  -1.309  -0.501  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1        3.205   1.046  -1.591  0.00  0.00    +0.118 C 
BRANCH  19  20
ATOM     20  N   LIG    1        4.498   0.897  -0.910  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1        4.745   1.849   0.180  0.00  0.00    +0.112 C 
ATOM     22  C   LIG    1        6.173   1.692   0.730  0.00  0.00    +0.175 C 
ATOM     23  O   LIG    1        6.411   0.352   1.182  0.00  0.00    -0.377 OA
ATOM     24  C   LIG    1        6.224  -0.571   0.098  0.00  0.00    +0.175 C 
ATOM     25  C   LIG    1        4.799  -0.476  -0.474  0.00  0.00    +0.112 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 10