REMARK  Name = BDB047390
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.869   0.087   0.476  0.00  0.00    +0.127 A 
ATOM      2  C   LIG    1        0.472   0.169   0.676  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -0.118   1.448   0.673  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1        0.631   2.615   0.444  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        2.018   2.512   0.224  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        2.766   3.679  -0.008  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1        2.151   4.932  -0.020  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        0.782   5.034   0.200  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        0.026   3.884   0.430  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1        2.622   1.246   0.244  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1        2.400  -1.180   0.516  0.00  0.00    -0.492 OA
BRANCH  11  12
ATOM     12  C   LIG    1        3.822  -1.311   0.439  0.00  0.00    +0.229 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.157  -2.791   0.592  0.00  0.00    +0.041 C 
BRANCH  13  14
ATOM     14  C   LIG    1        5.651  -3.100   0.699  0.00  0.00    +0.003 C 
BRANCH  14  16
ATOM     15  C   LIG    1        7.132  -1.366  -0.443  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1        6.473  -2.735  -0.540  0.00  0.00    -0.003 C 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   1  11
BRANCH   2  17
ATOM     17  C   LIG    1       -0.341  -1.094   0.959  0.00  0.00    +0.148 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -0.070  -2.114  -0.006  0.00  0.00    -0.387 OA
ATOM     19  H   LIG    1        0.894  -2.094  -0.155  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1       -1.873  -0.974   1.070  0.00  0.00    +0.036 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.587  -0.743  -0.270  0.00  0.00    +0.003 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.097  -0.585  -0.070  0.00  0.00    +0.000 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.810  -0.344  -1.403  0.00  0.00    +0.001 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -6.335  -0.304  -1.277  0.00  0.00    +0.011 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -6.841   0.853  -0.423  0.00  0.00    +0.120 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -8.343   0.965  -0.502  0.00  0.00    +0.305 C 
ATOM     27  O   LIG    1       -8.932   1.820  -1.144  0.00  0.00    -0.251 OA
BRANCH  26  28
ATOM     28  O   LIG    1       -8.989   0.016   0.210  0.00  0.00    -0.481 OA
ATOM     29  H   LIG    1       -8.393  -0.603   0.673  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH   2  17
TORSDOF 15