REMARK  Name = BDB053294
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.517   2.020   0.742  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1       -0.176   1.801   1.072  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1        0.185   0.972   2.149  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -0.821   0.358   2.915  0.00  0.00    +0.125 A 
ATOM      5  C   LIG    1       -2.163   0.595   2.599  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.508   1.416   1.519  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   4   7
ATOM      7  O   LIG    1       -0.390  -0.463   3.924  0.00  0.00    -0.495 OA
ATOM      8  C   LIG    1       -1.381  -1.023   4.777  0.00  0.00    +0.277 C 
ENDBRANCH   4   7
BRANCH   1   9
ATOM      9  C   LIG    1       -1.877   2.853  -0.462  0.00  0.00    +0.049 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -2.191   2.014  -1.714  0.00  0.00    +0.102 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -1.319   0.388  -3.480  0.00  0.00    +0.004 C 
ATOM     12  C   LIG    1       -0.982   1.227  -2.253  0.00  0.00    +0.011 C 
ENDBRANCH  10  12
BRANCH  10  13
ATOM     13  C   LIG    1       -2.799   2.935  -2.754  0.00  0.00    +0.308 C 
ATOM     14  O   LIG    1       -3.984   2.914  -3.055  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -1.939   3.815  -3.310  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1       -1.019   3.754  -2.992  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1        1.651   0.708   2.395  0.00  0.00    +0.143 C 
BRANCH  17  18
ATOM     18  N   LIG    1        2.093  -0.451   1.646  0.00  0.00    -0.307 N 
ATOM     19  H   LIG    1        1.713  -1.335   1.954  0.00  0.00    +0.149 HD
ATOM     20  C   LIG    1        2.531  -0.338   0.344  0.00  0.00    +0.244 C 
ATOM     21  O   LIG    1        2.710   0.732  -0.228  0.00  0.00    -0.270 OA
BRANCH  20  22
ATOM     22  C   LIG    1        2.738  -1.617  -0.390  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1        2.585  -1.619  -1.782  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1        2.764  -2.798  -2.507  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        3.107  -3.977  -1.846  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        3.277  -3.978  -0.461  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        3.096  -2.801   0.269  0.00  0.00    +0.013 A 
ENDBRANCH  20  22
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 9