REMARK  Name = BDB046060
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.001  -0.505   1.301  0.00  0.00    -0.308 N 
ATOM      2  H   LIG    1        0.833  -1.507   1.308  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        0.172   0.254   0.501  0.00  0.00    +0.215 C 
ATOM      4  O   LIG    1        0.470   1.372   0.094  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        2.387  -0.117   1.509  0.00  0.00    +0.184 C 
BRANCH   5   6
ATOM      6  C   LIG    1        3.265  -0.939   0.570  0.00  0.00    +0.180 C 
ATOM      7  O   LIG    1        2.898  -2.035   0.142  0.00  0.00    -0.290 OA
BRANCH   6  11
ATOM      8  C   LIG    1        7.179   0.460  -0.553  0.00  0.00    +0.120 A 
ATOM      9  C   LIG    1        6.575  -0.599  -1.229  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        5.301  -1.039  -0.850  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        4.617  -0.422   0.206  0.00  0.00    +0.019 A 
ATOM     12  C   LIG    1        5.226   0.635   0.888  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        6.499   1.070   0.504  0.00  0.00    +0.046 A 
BRANCH   8  15
ATOM     14  C   LIG    1        9.136   0.416  -1.901  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1        8.412   0.986  -0.818  0.00  0.00    -0.495 OA
ENDBRANCH   8  15
ENDBRANCH   6  11
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   3  16
ATOM     16  C   LIG    1       -1.155  -0.413   0.222  0.00  0.00    +0.117 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.994   0.416  -0.748  0.00  0.00    +0.136 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -3.329  -0.168  -0.954  0.00  0.00    -0.297 N 
ATOM     19  C   LIG    1       -3.413  -1.175  -1.914  0.00  0.00    +0.330 A 
ATOM     20  O   LIG    1       -2.459  -1.583  -2.575  0.00  0.00    -0.246 OA
ATOM     21  N   LIG    1       -4.643  -1.734  -2.092  0.00  0.00    -0.275 N 
ATOM     22  H   LIG    1       -4.705  -2.477  -2.770  0.00  0.00    +0.173 HD
ATOM     23  C   LIG    1       -5.740  -1.506  -1.324  0.00  0.00    +0.257 A 
ATOM     24  O   LIG    1       -6.778  -2.143  -1.471  0.00  0.00    -0.267 OA
ATOM     25  C   LIG    1       -5.604  -0.449  -0.296  0.00  0.00    +0.036 A 
ATOM     26  C   LIG    1       -6.816  -0.193   0.556  0.00  0.00    +0.042 C 
ATOM     27  C   LIG    1       -6.496   0.599   1.821  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -5.588   1.773   1.494  0.00  0.00    +0.006 C 
ATOM     29  C   LIG    1       -4.274   1.302   0.862  0.00  0.00    +0.054 C 
ATOM     30  C   LIG    1       -4.425   0.190  -0.161  0.00  0.00    +0.032 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 7