REMARK  Name = BDB046753
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.316   0.221  -0.207  0.00  0.00    -0.279 N 
ATOM      2  H   LIG    1        0.526  -0.594  -0.773  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        1.359   0.900   0.387  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1        1.271   1.774   1.239  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -1.933  -0.500  -0.660  0.00  0.00    +0.142 A 
ATOM      6  C   LIG    1       -1.073   0.431  -0.035  0.00  0.00    +0.076 A 
ATOM      7  C   LIG    1       -1.611   1.497   0.692  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -3.000   1.633   0.824  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -3.847   0.700   0.216  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -3.315  -0.361  -0.523  0.00  0.00    +0.048 A 
BRANCH   8  11
ATOM     11  C   LIG    1       -3.539   2.787   1.602  0.00  0.00    +0.160 C 
ATOM     12  O   LIG    1       -2.829   3.763   1.828  0.00  0.00    -0.292 OA
ATOM     13  C   LIG    1       -4.966   2.736   2.081  0.00  0.00    +0.091 C 
ENDBRANCH   8  11
BRANCH   5  14
ATOM     14  O   LIG    1       -1.300  -1.500  -1.359  0.00  0.00    -0.490 OA
BRANCH  14  16
ATOM     15  C   LIG    1       -2.497  -3.609  -1.293  0.00  0.00    +0.048 C 
ATOM     16  C   LIG    1       -2.083  -2.412  -2.131  0.00  0.00    +0.226 C 
ENDBRANCH  14  16
ENDBRANCH   5  14
ENDBRANCH   1   6
BRANCH   3  17
ATOM     17  C   LIG    1        2.719   0.463  -0.041  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1        3.765   0.528   0.888  0.00  0.00    +0.028 A 
ATOM     19  C   LIG    1        5.049   0.115   0.518  0.00  0.00    +0.060 A 
ATOM     20  C   LIG    1        5.303  -0.324  -0.788  0.00  0.00    +0.015 A 
ATOM     21  C   LIG    1        4.265  -0.368  -1.719  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        2.976   0.023  -1.348  0.00  0.00    +0.013 A 
BRANCH  19  23
ATOM     23  C   LIG    1        6.134   0.184   1.521  0.00  0.00    +0.337 C 
ATOM     24  O   LIG    1        6.284   1.121   2.283  0.00  0.00    -0.245 OA
BRANCH  23  25
ATOM     25  O   LIG    1        6.912  -0.919   1.523  0.00  0.00    -0.477 OA
ATOM     26  H   LIG    1        6.577  -1.656   0.981  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  19  23
ENDBRANCH   3  17
TORSDOF 7