REMARK  Name = BDB036819
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.127   0.031  -0.339  0.00  0.00    -0.300 N 
ATOM      2  H   LIG    1        0.171   0.856  -0.853  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1        0.802  -0.802   0.239  0.00  0.00    +0.246 C 
ATOM      4  O   LIG    1        0.522  -1.858   0.788  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      5  O   LIG    1       -5.535   0.666  -0.211  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -4.365   0.301  -0.279  0.00  0.00    +0.219 C 
ATOM      7  N   LIG    1       -3.600   0.593  -1.380  0.00  0.00    -0.255 N 
ATOM      8  H   LIG    1       -4.048   1.197  -2.056  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1       -2.228   0.566  -1.434  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1       -1.611   1.218  -2.275  0.00  0.00    -0.273 OA
ATOM     11  C   LIG    1       -1.536  -0.325  -0.397  0.00  0.00    +0.160 C 
ATOM     12  C   LIG    1       -2.231  -0.149   0.949  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1       -3.702  -0.509   0.810  0.00  0.00    +0.098 C 
ENDBRANCH   1  11
BRANCH   3  14
ATOM     14  C   LIG    1        2.204  -0.349   0.126  0.00  0.00    +0.055 A 
ATOM     15  C   LIG    1        3.006  -0.163   1.256  0.00  0.00    +0.053 A 
ATOM     16 CL   LIG    1        2.413  -0.360   2.866  0.00  0.00    -0.083 Cl
ATOM     17  C   LIG    1        4.333   0.248   1.098  0.00  0.00    +0.021 A 
ATOM     18  C   LIG    1        4.857   0.469  -0.178  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        4.056   0.282  -1.304  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        2.731  -0.128  -1.156  0.00  0.00    +0.014 A 
ENDBRANCH   3  14
TORSDOF 2