REMARK  Name = BDB014230
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.361  -0.187   0.676  0.00  0.00    +0.048 A 
ATOM      2  N   LIG    1        0.868   0.428   0.574  0.00  0.00    -0.354 N 
ATOM      3  H   LIG    1        1.062   1.406   0.757  0.00  0.00    +0.166 HD
ATOM      4  C   LIG    1        1.834  -0.472   0.190  0.00  0.00    +0.079 A 
ATOM      5  C   LIG    1        1.206  -1.702   0.052  0.00  0.00    +0.090 A 
ATOM      6  N   LIG    1        1.855  -2.830  -0.318  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1        3.177  -2.681  -0.545  0.00  0.00    +0.112 A 
ATOM      8  C   LIG    1        3.884  -1.495  -0.430  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        3.204  -0.337  -0.050  0.00  0.00    +0.086 A 
ATOM     10  C   LIG    1       -0.163  -1.522   0.361  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1        3.940   0.933   0.077  0.00  0.00    +0.339 C 
ATOM     12  O   LIG    1        5.131   1.083  -0.122  0.00  0.00    -0.245 OA
BRANCH  11  13
ATOM     13  O   LIG    1        3.159   1.967   0.445  0.00  0.00    -0.477 OA
ATOM     14  H   LIG    1        3.793   2.716   0.487  0.00  0.00    +0.295 HD
ENDBRANCH  11  13
ENDBRANCH   9  11
BRANCH   1  15
ATOM     15  C   LIG    1       -1.576   0.590   1.075  0.00  0.00    +0.163 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -3.564   1.961   0.356  0.00  0.00    +0.010 C 
ATOM     17  C   LIG    1       -2.499   0.959  -0.106  0.00  0.00    +0.017 C 
ATOM     18  C   LIG    1       -3.200  -0.239  -0.755  0.00  0.00    +0.010 C 
ENDBRANCH  15  17
BRANCH  15  19
ATOM     19  O   LIG    1       -2.255  -0.160   2.071  0.00  0.00    -0.385 OA
ATOM     20  H   LIG    1       -2.413  -1.050   1.716  0.00  0.00    +0.210 HD
ENDBRANCH  15  19
ENDBRANCH   1  15
TORSDOF 5