REMARK  Name = BDB036814
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.439  -1.282  -1.626  0.00  0.00    +0.248 C 
ATOM      2  N   LIG    1        0.733  -0.037  -1.110  0.00  0.00    -0.300 N 
ATOM      3  H   LIG    1        0.145   0.302  -0.363  0.00  0.00    +0.150 HD
ATOM      4  O   LIG    1        1.214  -1.867  -2.378  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.092   0.477  -1.153  0.00  0.00    +0.160 C 
ATOM      6  C   LIG    1        2.829   0.123   0.149  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1        2.422  -0.695   0.971  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1        4.005   0.803   0.362  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1        4.470   0.576   1.231  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1        4.285   2.058  -0.115  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1        5.122   2.771   0.430  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        3.526   2.498  -1.346  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1        2.092   1.991  -1.317  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   1  17
ATOM     14  C   LIG    1       -3.990  -2.546   0.400  0.00  0.00    +0.173 C 
ATOM     15  N   LIG    1       -2.797  -2.442  -0.411  0.00  0.00    -0.266 N 
ATOM     16  C   LIG    1       -1.783  -1.514  -0.291  0.00  0.00    +0.081 A 
ATOM     17  C   LIG    1       -0.847  -1.861  -1.264  0.00  0.00    +0.082 A 
ATOM     18  C   LIG    1       -1.414  -2.998  -1.893  0.00  0.00    +0.148 A 
ATOM     19  N   LIG    1       -2.602  -3.337  -1.395  0.00  0.00    -0.179 NA
BRANCH  16  20
ATOM     20  C   LIG    1       -1.791  -0.471   0.728  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -2.600   0.661   0.576  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1       -2.583   1.670   1.540  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -1.756   1.555   2.657  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -0.946   0.431   2.812  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -0.963  -0.581   1.851  0.00  0.00    +0.010 A 
ENDBRANCH  16  20
ENDBRANCH   1  17
TORSDOF 3