REMARK  Name = BDB012761
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.001   0.715  -1.006  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1        0.129   0.396  -0.268  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        1.422   0.263  -0.933  0.00  0.00    +0.133 C 
ATOM      4  C   LIG    1        2.226  -0.737  -0.070  0.00  0.00    +0.049 C 
ATOM      5  C   LIG    1        1.929  -2.177  -0.538  0.00  0.00    +0.033 C 
ATOM      6  C   LIG    1        1.630  -0.509   1.331  0.00  0.00    +0.046 C 
ATOM      7  C   LIG    1        0.163  -0.192   1.065  0.00  0.00    +0.110 C 
ATOM      8  O   LIG    1       -0.946   0.858  -2.226  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  13
ATOM      9  C   LIG    1       -4.362   0.831   0.400  0.00  0.00    +0.066 A 
ATOM     10  N   LIG    1       -3.686   1.512   1.334  0.00  0.00    -0.178 NA
ATOM     11  N   LIG    1       -2.431   1.555   0.858  0.00  0.00    -0.272 N 
ATOM     12  H   LIG    1       -1.742   2.096   1.369  0.00  0.00    +0.189 HD
ATOM     13  C   LIG    1       -2.245   0.845  -0.293  0.00  0.00    +0.121 A 
ATOM     14  C   LIG    1       -3.507   0.410  -0.646  0.00  0.00    +0.057 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -6.179  -0.880   0.640  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1       -5.841   0.609   0.547  0.00  0.00    +0.033 C 
ATOM     17  C   LIG    1       -6.625   1.268  -0.589  0.00  0.00    +0.014 C 
ENDBRANCH   9  16
ENDBRANCH   1  13
BRANCH   4  18
ATOM     18  N   LIG    1        3.679  -0.540  -0.115  0.00  0.00    -0.308 N 
ATOM     19  H   LIG    1        4.248  -1.312  -0.433  0.00  0.00    +0.149 HD
ATOM     20  C   LIG    1        4.325   0.631   0.206  0.00  0.00    +0.217 C 
ATOM     21  O   LIG    1        3.763   1.649   0.584  0.00  0.00    -0.275 OA
BRANCH  20  22
ATOM     22  C   LIG    1        5.811   0.633   0.074  0.00  0.00    +0.075 C 
ATOM     23  C   LIG    1        6.527  -0.099  -1.037  0.00  0.00    +0.013 C 
ATOM     24  C   LIG    1        6.658  -0.580   0.380  0.00  0.00    +0.013 C 
ENDBRANCH  20  22
ENDBRANCH   4  18
TORSDOF 4