REMARK  Name = BDB036929
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.825   0.903   0.102  0.00  0.00    +0.113 A 
ATOM      2  N   LIG    1        0.327   2.144  -0.209  0.00  0.00    -0.129 NA
ATOM      3  N   LIG    1       -0.996   2.085  -0.176  0.00  0.00    -0.064 NA
ATOM      4  N   LIG    1       -1.336   0.829   0.171  0.00  0.00    -0.239 N 
ATOM      5  C   LIG    1       -0.230   0.045   0.325  0.00  0.00    +0.139 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -2.743   0.458   0.182  0.00  0.00    +0.195 C 
ATOM      7  C   LIG    1       -3.085  -0.528   1.285  0.00  0.00    +0.244 C 
ATOM      8  O   LIG    1       -2.475  -0.620   2.347  0.00  0.00    -0.273 OA
ATOM      9  N   LIG    1       -4.192  -1.321   1.067  0.00  0.00    -0.255 N 
ATOM     10  H   LIG    1       -4.431  -1.962   1.812  0.00  0.00    +0.158 HD
ATOM     11  C   LIG    1       -4.986  -1.383  -0.052  0.00  0.00    +0.219 C 
ATOM     12  O   LIG    1       -5.942  -2.150  -0.108  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -4.650  -0.422  -1.165  0.00  0.00    +0.099 C 
ATOM     14  C   LIG    1       -3.165  -0.097  -1.179  0.00  0.00    +0.045 C 
ENDBRANCH   4   6
BRANCH   1  18
ATOM     15  C   LIG    1        5.021   0.057   0.272  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1        4.093  -0.901   0.681  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1        2.718  -0.632   0.645  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1        2.243   0.591   0.156  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        3.176   1.528  -0.306  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        4.548   1.253  -0.269  0.00  0.00    +0.023 A 
BRANCH  15  21
ATOM     21  N   LIG    1        6.381  -0.263   0.200  0.00  0.00    -0.358 N 
ATOM     22  H   LIG    1        6.675  -0.962   0.874  0.00  0.00    +0.142 HD
ATOM     23  H   LIG    1        6.992   0.548   0.198  0.00  0.00    +0.142 HD
ENDBRANCH  15  21
ENDBRANCH   1  18
TORSDOF 3