REMARK  Name = BDB036822
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.331   0.370   1.209  0.00  0.00    +0.245 C 
ATOM      2  N   LIG    1        1.099  -0.018   0.132  0.00  0.00    -0.300 N 
ATOM      3  H   LIG    1        0.747  -0.756  -0.471  0.00  0.00    +0.150 HD
ATOM      4  O   LIG    1        0.796   0.962   2.176  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      5  C   LIG    1       -3.852  -0.834  -2.390  0.00  0.00    +0.173 C 
ATOM      6  N   LIG    1       -4.073  -0.836  -0.963  0.00  0.00    -0.267 N 
ATOM      7  C   LIG    1       -3.141  -0.561   0.010  0.00  0.00    +0.069 A 
ATOM      8  C   LIG    1       -3.831  -0.681   1.214  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -3.156  -0.449   2.425  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -1.798  -0.106   2.385  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -1.113  -0.001   1.168  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -5.146  -1.030   0.839  0.00  0.00    +0.142 A 
ATOM     13  C   LIG    1       -1.781  -0.216  -0.051  0.00  0.00    +0.041 A 
ATOM     14  N   LIG    1       -5.298  -1.125  -0.483  0.00  0.00    -0.179 NA
ENDBRANCH   1  11
BRANCH   2  15
ATOM     15  C   LIG    1        2.546   0.147   0.147  0.00  0.00    +0.160 C 
ATOM     16  C   LIG    1        3.141  -0.720  -0.968  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1        2.513  -1.628  -1.512  0.00  0.00    -0.273 OA
ATOM     18  N   LIG    1        4.435  -0.436  -1.326  0.00  0.00    -0.255 N 
ATOM     19  H   LIG    1        4.813  -1.002  -2.074  0.00  0.00    +0.158 HD
ATOM     20  C   LIG    1        5.078   0.760  -1.130  0.00  0.00    +0.219 C 
ATOM     21  O   LIG    1        6.096   1.038  -1.757  0.00  0.00    -0.275 OA
ATOM     22  C   LIG    1        4.487   1.684  -0.091  0.00  0.00    +0.098 C 
ATOM     23  C   LIG    1        2.968   1.595  -0.075  0.00  0.00    +0.041 C 
ENDBRANCH   2  15
TORSDOF 2