REMARK  Name = BDB045455
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.615   0.034   1.396  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.644   0.986   1.480  0.00  0.00    -0.283 N 
ATOM      3  H   LIG    1       -0.933   1.700   2.144  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -2.532   0.111   2.223  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.612   1.189   0.887  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1        1.346   0.229   0.195  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1        2.601   0.541  -0.360  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1        3.145   1.816  -0.186  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        2.431   2.775   0.528  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        1.178   2.461   1.060  0.00  0.00    +0.023 A 
BRANCH   7  11
ATOM     11  C   LIG    1        3.318  -0.535  -1.097  0.00  0.00    +0.242 C 
ATOM     12  O   LIG    1        3.007  -1.713  -0.965  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        4.308  -0.166  -1.963  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        4.404   0.778  -2.310  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        4.691  -0.907  -2.538  0.00  0.00    +0.145 HD
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   1  16
ATOM     16  C   LIG    1       -1.641  -1.061   0.307  0.00  0.00    +0.214 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -2.566  -2.927   1.478  0.00  0.00    +0.195 C 
ATOM     18  O   LIG    1       -2.762  -1.965   0.442  0.00  0.00    -0.370 OA
ENDBRANCH  16  18
BRANCH  16  19
ATOM     19  C   LIG    1       -1.794  -0.451  -1.083  0.00  0.00    +0.161 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.966   0.494  -1.168  0.00  0.00    +0.308 C 
ATOM     21  O   LIG    1       -2.883   1.618  -1.642  0.00  0.00    -0.251 OA
BRANCH  20  22
ATOM     22  O   LIG    1       -4.132  -0.027  -0.733  0.00  0.00    -0.481 OA
ATOM     23  H   LIG    1       -4.019  -0.913  -0.312  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 7