REMARK  Name = BDB021432
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.036  -0.095   3.299  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.071   0.471   2.202  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -1.291   0.895   1.692  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -1.454   1.458   0.360  0.00  0.00    +0.149 C 
ATOM      5  C   LIG    1       -0.781   0.583  -0.677  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1        0.550   1.013  -0.906  0.00  0.00    -0.490 OA
ATOM      7  C   LIG    1        1.442   0.937   0.123  0.00  0.00    +0.133 A 
ATOM      8  C   LIG    1        2.755   1.158  -0.344  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1        3.867   1.123   0.504  0.00  0.00    -0.030 A 
ATOM     10  C   LIG    1        3.654   0.872   1.857  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        2.358   0.660   2.334  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        1.226   0.695   1.485  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   3  13
ATOM     13  C   LIG    1       -2.486   0.850   2.553  0.00  0.00    +0.140 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -3.080  -0.556   2.812  0.00  0.00    +0.146 C 
BRANCH  14  15
ATOM     15  O   LIG    1       -2.345  -1.255   3.827  0.00  0.00    -0.389 OA
ATOM     16  H   LIG    1       -1.403  -0.984   3.740  0.00  0.00    +0.210 HD
ENDBRANCH  14  15
BRANCH  14  17
ATOM     17  C   LIG    1       -3.189  -1.466   1.570  0.00  0.00    +0.117 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -3.922  -0.911   0.414  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1       -5.344  -0.674   0.739  0.00  0.00    +0.120 C 
ATOM     20  C   LIG    1       -6.178  -0.266  -0.459  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1       -5.751  -0.549  -1.768  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -6.553  -0.185  -2.858  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -7.785   0.432  -2.649  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -8.222   0.697  -1.353  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.405  -1.187  -1.997  0.00  0.00    +0.051 C 
ATOM     26  C   LIG    1       -7.425   0.347  -0.263  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -3.839  -1.839  -0.729  0.00  0.00    +0.089 C 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH  13  14
ENDBRANCH   3  13
BRANCH   9  28
ATOM     28  C   LIG    1        5.261   1.373  -0.032  0.00  0.00    +0.119 C 
BRANCH  28  29
ATOM     29  N   LIG    1        6.209   0.292   0.284  0.00  0.00    -0.298 NA
ATOM     30  C   LIG    1        5.906  -0.973  -0.404  0.00  0.00    +0.085 C 
ATOM     31  C   LIG    1        6.212  -0.960  -1.904  0.00  0.00    +0.015 C 
ATOM     32  C   LIG    1        7.649  -0.527  -2.172  0.00  0.00    +0.002 C 
ATOM     33  C   LIG    1        7.969   0.778  -1.451  0.00  0.00    +0.015 C 
ATOM     34  C   LIG    1        7.601   0.696   0.033  0.00  0.00    +0.085 C 
ENDBRANCH  28  29
ENDBRANCH   9  28
TORSDOF 7