REMARK  Name = BDB012943
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.928  -1.641  -0.263  0.00  0.00    +0.267 C 
ATOM      2  N   LIG    1        0.265  -1.565   0.446  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        0.637  -0.623   1.496  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.147  -0.832   1.677  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        2.304  -2.320   1.360  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        1.323  -2.532   0.215  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -1.051  -2.464  -1.174  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -4.046   0.283  -0.002  0.00  0.00    +0.039 A 
ATOM      9  N   LIG    1       -3.278   0.711   1.042  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1       -3.515   1.403   1.746  0.00  0.00    +0.189 HD
ATOM     11  N   LIG    1       -2.075   0.122   1.114  0.00  0.00    -0.169 NA
ATOM     12  C   LIG    1       -2.050  -0.735   0.074  0.00  0.00    +0.147 A 
ATOM     13  C   LIG    1       -3.276  -0.660  -0.647  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -6.466  -0.297  -0.153  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -5.422   0.814  -0.260  0.00  0.00    +0.031 C 
ATOM     16  C   LIG    1       -5.496   1.497  -1.626  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1        2.925  -0.018   0.743  0.00  0.00    -0.306 N 
ATOM     18  H   LIG    1        2.431   0.428  -0.021  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        4.277   0.211   0.944  0.00  0.00    +0.264 C 
ATOM     20  O   LIG    1        4.887  -0.234   1.910  0.00  0.00    -0.268 OA
BRANCH  19  21
ATOM     21  C   LIG    1        4.966   1.042  -0.083  0.00  0.00    +0.143 A 
ATOM     22  N   LIG    1        5.867   1.959   0.358  0.00  0.00    -0.247 NA
ATOM     23  C   LIG    1        6.474   2.686  -0.607  0.00  0.00    +0.131 A 
ATOM     24  C   LIG    1        6.196   2.517  -1.954  0.00  0.00    +0.130 A 
ATOM     25  N   LIG    1        5.300   1.606  -2.401  0.00  0.00    -0.259 NA
ATOM     26  C   LIG    1        4.699   0.866  -1.434  0.00  0.00    +0.143 A 
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 4