REMARK  Name = BDB036834
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.336   0.507   1.089  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.770   0.452   0.237  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -0.839  -0.390  -0.956  0.00  0.00    +0.133 C 
ATOM      4  O   LIG    1        0.320   1.089   2.171  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.899   1.351   0.555  0.00  0.00    +0.163 C 
ATOM      6  C   LIG    1       -2.747   1.758  -0.661  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1       -2.290   2.394  -1.611  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1       -4.030   1.268  -0.714  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -4.542   1.500  -1.555  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1       -4.526   0.198  -0.015  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1       -5.538  -0.385  -0.394  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -3.721  -0.277   1.169  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1       -2.792   0.810   1.679  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   1  18
ATOM     14  C   LIG    1        3.421  -0.463  -0.781  0.00  0.00    +0.215 A 
ATOM     15  N   LIG    1        3.997  -1.377   0.031  0.00  0.00    -0.221 NA
ATOM     16  C   LIG    1        3.369  -1.647   1.196  0.00  0.00    +0.115 A 
ATOM     17  C   LIG    1        2.176  -1.064   1.577  0.00  0.00    +0.033 A 
ATOM     18  C   LIG    1        1.595  -0.155   0.696  0.00  0.00    +0.043 A 
ATOM     19  C   LIG    1        2.232   0.178  -0.496  0.00  0.00    +0.080 A 
BRANCH  14  21
ATOM     20  C   LIG    1        5.261  -0.796  -2.188  0.00  0.00    +0.279 C 
ATOM     21  O   LIG    1        4.021  -0.129  -1.979  0.00  0.00    -0.480 OA
ENDBRANCH  14  21
ENDBRANCH   1  18
TORSDOF 3