REMARK  Name = BDB015020
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.157   1.396   0.948  0.00  0.00    +0.166 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        1.927   2.520   1.400  0.00  0.00    -0.387 OA
ATOM      3  H   LIG    1        2.132   3.063   0.621  0.00  0.00    +0.210 HD
ENDBRANCH   1   2
BRANCH   1   4
ATOM      4  C   LIG    1        1.967   0.528  -0.049  0.00  0.00    +0.119 C 
BRANCH   4   5
ATOM      5  N   LIG    1        3.045  -0.301   0.524  0.00  0.00    -0.295 NA
ATOM      6  C   LIG    1        3.560  -1.280  -0.455  0.00  0.00    +0.120 C 
ATOM      7  C   LIG    1        4.912  -0.963  -1.050  0.00  0.00    -0.030 A 
ATOM      8  C   LIG    1        5.902  -0.436  -0.204  0.00  0.00    -0.042 A 
ATOM      9  C   LIG    1        7.197  -0.222  -0.680  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1        7.503  -0.520  -2.008  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        6.522  -1.039  -2.855  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        5.492  -0.124   1.209  0.00  0.00    +0.051 C 
ATOM     13  C   LIG    1        5.231  -1.269  -2.376  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        4.095   0.515   1.173  0.00  0.00    +0.089 C 
ENDBRANCH   4   5
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  C   LIG    1        0.651   0.585   2.152  0.00  0.00    +0.261 C 
BRANCH  15  16
ATOM     16  O   LIG    1       -0.411   1.272   2.829  0.00  0.00    -0.489 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -1.691   1.128   2.371  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1       -2.104   0.358   1.281  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1       -3.461   0.297   0.909  0.00  0.00    -0.041 A 
ATOM     20  C   LIG    1       -4.396   1.034   1.649  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -3.989   1.804   2.737  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -2.643   1.847   3.095  0.00  0.00    +0.045 A 
BRANCH  19  23
ATOM     23  C   LIG    1       -3.876  -0.545  -0.289  0.00  0.00    +0.019 C 
ATOM     24  C   LIG    1       -4.235   0.353  -1.488  0.00  0.00    +0.008 C 
ATOM     25  C   LIG    1       -4.952  -0.444  -2.571  0.00  0.00    +0.001 C 
ATOM     26  C   LIG    1       -6.271  -1.037  -2.074  0.00  0.00    +0.000 C 
ATOM     27  C   LIG    1       -6.335  -1.213  -0.557  0.00  0.00    +0.001 C 
ATOM     28  C   LIG    1       -4.979  -1.577   0.040  0.00  0.00    +0.008 C 
ENDBRANCH  19  23
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 7