REMARK  Name = BDB002681
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.164   2.027  -1.953  0.00  0.00    +0.202 C 
ENDROOT
BRANCH   1   4
ATOM      2  O   LIG    1        1.296  -0.103  -3.391  0.00  0.00    -0.272 OA
ATOM      3  C   LIG    1        1.844   0.279  -2.359  0.00  0.00    +0.251 C 
ATOM      4  N   LIG    1        1.432   1.391  -1.657  0.00  0.00    -0.304 N 
ATOM      5  H   LIG    1        1.749   1.422  -0.690  0.00  0.00    +0.149 HD
BRANCH   3   6
ATOM      6  C   LIG    1        3.073  -0.424  -1.780  0.00  0.00    +0.324 C 
BRANCH   6   7
ATOM      7  O   LIG    1        3.324   0.011  -0.447  0.00  0.00    -0.483 OA
BRANCH   7   8
ATOM      8  C   LIG    1        4.388  -0.556   0.199  0.00  0.00    +0.121 A 
ATOM      9  C   LIG    1        5.277  -1.486  -0.342  0.00  0.00    +0.045 A 
ATOM     10  C   LIG    1        6.329  -1.984   0.434  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        6.495  -1.557   1.750  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        5.610  -0.630   2.294  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        4.561  -0.132   1.519  0.00  0.00    +0.045 A 
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   3   6
ENDBRANCH   1   4
BRANCH   1  14
ATOM     14  C   LIG    1       -0.943   1.462  -1.057  0.00  0.00    +0.249 C 
ATOM     15  N   LIG    1       -2.211   1.644  -1.609  0.00  0.00    -0.206 N 
ATOM     16  H   LIG    1       -2.305   2.304  -2.375  0.00  0.00    +0.177 HD
ATOM     17  O   LIG    1       -0.695   0.966   0.042  0.00  0.00    -0.272 OA
BRANCH  15  18
ATOM     18  N   LIG    1       -3.395   1.407  -0.959  0.00  0.00    -0.188 NA
ATOM     19  C   LIG    1       -3.458   0.383  -0.166  0.00  0.00    +0.138 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.677   0.074   0.610  0.00  0.00    -0.005 A 
ATOM     21  C   LIG    1       -5.816   0.878   0.513  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1       -6.954   0.561   1.257  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -6.952  -0.554   2.095  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.814  -1.356   2.192  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -4.673  -1.043   1.450  0.00  0.00    +0.009 A 
ENDBRANCH  19  20
ENDBRANCH  15  18
ENDBRANCH   1  14
TORSDOF 7