REMARK  Name = BDB036806
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.569   1.227  -0.227  0.00  0.00    +0.245 C 
ATOM      2  N   LIG    1        1.511   0.275  -0.562  0.00  0.00    -0.300 N 
ATOM      3  H   LIG    1        1.161  -0.536  -1.064  0.00  0.00    +0.150 HD
ATOM      4  O   LIG    1        0.843   2.407  -0.047  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1       -6.013  -0.149   0.063  0.00  0.00    +0.173 C 
ATOM      6  N   LIG    1       -4.683  -0.695   0.189  0.00  0.00    -0.267 N 
ATOM      7  C   LIG    1       -3.499  -0.012   0.039  0.00  0.00    +0.069 A 
ATOM      8  C   LIG    1       -2.503  -0.959   0.262  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -1.151  -0.578   0.182  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -0.842   0.757  -0.131  0.00  0.00    +0.037 A 
ATOM     11  C   LIG    1       -1.865   1.693  -0.334  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -3.203  -2.153   0.542  0.00  0.00    +0.143 A 
ATOM     13  C   LIG    1       -3.213   1.327  -0.258  0.00  0.00    +0.029 A 
ATOM     14  N   LIG    1       -4.527  -1.998   0.498  0.00  0.00    -0.179 NA
ENDBRANCH   1  10
BRANCH   2  15
ATOM     15  C   LIG    1        2.882   0.668  -0.880  0.00  0.00    +0.160 C 
ATOM     16  C   LIG    1        3.564  -0.548  -1.517  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1        3.131  -1.077  -2.542  0.00  0.00    -0.273 OA
ATOM     18  N   LIG    1        4.590  -1.128  -0.817  0.00  0.00    -0.255 N 
ATOM     19  H   LIG    1        4.974  -1.962  -1.241  0.00  0.00    +0.158 HD
ATOM     20  C   LIG    1        4.723  -1.090   0.546  0.00  0.00    +0.219 C 
ATOM     21  O   LIG    1        5.336  -1.971   1.143  0.00  0.00    -0.275 OA
ATOM     22  C   LIG    1        3.999   0.019   1.269  0.00  0.00    +0.098 C 
ATOM     23  C   LIG    1        3.679   1.168   0.326  0.00  0.00    +0.041 C 
ENDBRANCH   2  15
TORSDOF 2