REMARK  Name = BDB057784
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.348  -0.504  -1.220  0.00  0.00    +0.027 C 
ATOM      2  C   LIG    1       -2.075   1.006  -1.073  0.00  0.00    +0.022 C 
ATOM      3  C   LIG    1       -0.623   1.332  -1.414  0.00  0.00    +0.085 C 
ATOM      4  N   LIG    1        0.306   0.737  -0.443  0.00  0.00    -0.302 NA
ATOM      5  C   LIG    1       -0.102  -0.600   0.013  0.00  0.00    +0.085 C 
ATOM      6  C   LIG    1       -1.069  -1.323  -0.926  0.00  0.00    +0.022 C 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -3.416  -0.989   1.086  0.00  0.00    +0.047 C 
ATOM      8  C   LIG    1       -3.612  -0.989  -0.440  0.00  0.00    +0.091 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -4.864  -0.230  -0.901  0.00  0.00    -0.016 A 
ATOM     10  C   LIG    1       -5.405  -0.490  -2.176  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -6.536   0.188  -2.637  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -7.148   1.145  -1.834  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -6.626   1.426  -0.574  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -5.494   0.747  -0.113  0.00  0.00    +0.006 A 
ENDBRANCH   8   9
BRANCH   8  15
ATOM     15  O   LIG    1       -3.813  -2.377  -0.778  0.00  0.00    -0.384 OA
ATOM     16  H   LIG    1       -4.740  -2.587  -0.569  0.00  0.00    +0.211 HD
ENDBRANCH   8  15
ENDBRANCH   1   8
BRANCH   4  17
ATOM     17  C   LIG    1        1.692   0.803  -0.920  0.00  0.00    +0.087 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.680   1.226   0.173  0.00  0.00    +0.056 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.814   0.243   1.330  0.00  0.00    +0.230 C 
BRANCH  19  20
ATOM     20  O   LIG    1        3.832   0.675   2.238  0.00  0.00    -0.492 OA
BRANCH  20  21
ATOM     21  C   LIG    1        5.114   0.244   2.050  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1        5.996   0.587   3.079  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1        7.342   0.217   3.023  0.00  0.00    +0.022 A 
ATOM     24  C   LIG    1        7.821  -0.500   1.924  0.00  0.00    +0.052 A 
ATOM     25  C   LIG    1        6.945  -0.840   0.888  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1        5.596  -0.467   0.950  0.00  0.00    +0.047 A 
BRANCH  24  27
ATOM     27  C   LIG    1        9.201  -0.883   1.857  0.00  0.00    +0.099 C 
ATOM     28  N   LIG    1       10.317  -1.194   1.799  0.00  0.00    -0.191 NA
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 9