REMARK  Name = BDB045465
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.709  -0.671  -0.249  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1        2.320  -0.767  -0.417  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1        1.446  -0.021   0.383  0.00  0.00    +0.034 A 
ATOM      4  C   LIG    1        1.981   0.830   1.351  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        3.366   0.943   1.514  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1        4.232   0.198   0.714  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  10
ATOM      7  N   LIG    1        5.857  -1.739  -0.716  0.00  0.00    -0.325 N 
ATOM      8  H   LIG    1        6.382  -2.401  -1.274  0.00  0.00    +0.145 HD
ATOM      9  H   LIG    1        6.148  -1.611   0.242  0.00  0.00    +0.145 HD
ATOM     10  C   LIG    1        4.578  -1.493  -1.132  0.00  0.00    +0.242 C 
ATOM     11  O   LIG    1        4.159  -1.968  -2.180  0.00  0.00    -0.270 OA
ENDBRANCH   1  10
BRANCH   3  12
ATOM     12  N   LIG    1        0.065  -0.182   0.149  0.00  0.00    -0.285 N 
ATOM     13  H   LIG    1       -0.186  -0.822  -0.597  0.00  0.00    +0.155 HD
ATOM     14  C   LIG    1       -0.984   0.438   0.809  0.00  0.00    +0.217 C 
ATOM     15  O   LIG    1       -0.894   1.241   1.731  0.00  0.00    -0.275 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -2.329  -0.006   0.251  0.00  0.00    +0.096 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.505   0.688   0.942  0.00  0.00    +0.020 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -4.856   0.171   0.462  0.00  0.00    +0.121 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -5.137   0.574  -0.958  0.00  0.00    +0.305 C 
ATOM     20  O   LIG    1       -4.784  -0.031  -1.957  0.00  0.00    -0.251 OA
BRANCH  19  21
ATOM     21  O   LIG    1       -5.809   1.734  -1.051  0.00  0.00    -0.481 OA
ATOM     22  H   LIG    1       -5.906   1.886  -2.014  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH   3  12
TORSDOF 7