REMARK  Name = BDB036966
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.491  -0.149  -0.206  0.00  0.00    +0.027 A 
ATOM      2  C   LIG    1        3.421  -0.400  -1.073  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1        2.096  -0.251  -0.650  0.00  0.00    +0.080 A 
ATOM      4  C   LIG    1        1.850   0.111   0.672  0.00  0.00    +0.065 A 
ATOM      5  C   LIG    1        0.445   0.247   1.099  0.00  0.00    +0.262 A 
ATOM      6  N   LIG    1       -0.520  -0.040   0.141  0.00  0.00    -0.287 N 
ATOM      7  C   LIG    1       -0.152  -0.342  -1.149  0.00  0.00    +0.203 A 
ATOM      8  O   LIG    1        0.187   0.582   2.253  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1        2.902   0.311   1.569  0.00  0.00    +0.017 A 
ATOM     10  N   LIG    1        1.061  -0.469  -1.570  0.00  0.00    -0.237 NA
ATOM     11  C   LIG    1        4.218   0.159   1.129  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -1.930   0.105   0.515  0.00  0.00    +0.178 C 
ATOM     13  C   LIG    1       -2.521   1.395  -0.064  0.00  0.00    +0.242 C 
ATOM     14  O   LIG    1       -1.855   2.300  -0.559  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -3.894   1.493   0.001  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -4.284   2.340  -0.391  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -4.783   0.457   0.141  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -5.975   0.607  -0.108  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -4.220  -0.855   0.641  0.00  0.00    +0.099 C 
ATOM     20  C   LIG    1       -2.808  -1.083   0.120  0.00  0.00    +0.044 C 
ENDBRANCH   6  12
BRANCH   1  21
ATOM     21  N   LIG    1        5.804  -0.418  -0.611  0.00  0.00    -0.358 N 
ATOM     22  H   LIG    1        5.952  -0.332  -1.612  0.00  0.00    +0.142 HD
ATOM     23  H   LIG    1        6.512   0.073  -0.074  0.00  0.00    +0.142 HD
ENDBRANCH   1  21
TORSDOF 2