REMARK  Name = BDB017242
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.006  -1.606  -1.145  0.00  0.00    +0.168 C 
ATOM      2  O   LIG    1       -0.048  -2.752  -1.589  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1        5.426   0.639   1.663  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        5.112   0.372   0.327  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        3.852  -0.126  -0.041  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        2.883  -0.357   0.962  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        1.620  -0.852   0.602  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        1.320  -1.098  -0.739  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1        2.281  -0.896  -1.730  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        3.208  -0.089   2.300  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        3.539  -0.405  -1.381  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        4.470   0.406   2.648  0.00  0.00    +0.046 A 
BRANCH   3  14
ATOM     13  C   LIG    1        7.070   1.387   3.211  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        6.690   1.120   1.866  0.00  0.00    -0.495 OA
ENDBRANCH   3  14
ENDBRANCH   1   8
BRANCH   1  15
ATOM     15  C   LIG    1       -1.251  -0.713  -1.052  0.00  0.00    +0.077 C 
ATOM     16  C   LIG    1       -2.150  -0.892   0.206  0.00  0.00    +0.002 C 
ATOM     17  C   LIG    1       -1.945   0.289   1.167  0.00  0.00    +0.019 C 
ATOM     18  C   LIG    1       -2.272   1.630   0.487  0.00  0.00    +0.085 C 
ATOM     19  N   LIG    1       -2.052   1.630  -0.973  0.00  0.00    -0.299 NA
ATOM     20  C   LIG    1       -0.908   0.773  -1.314  0.00  0.00    +0.096 C 
BRANCH  19  21
ATOM     21  C   LIG    1       -1.818   3.004  -1.441  0.00  0.00    +0.057 C 
ATOM     22  C   LIG    1       -3.128   3.832  -1.343  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1       -2.779   4.394  -2.737  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -2.007   3.079  -2.980  0.00  0.00    +0.019 C 
ENDBRANCH  19  21
BRANCH  16  25
ATOM     25  C   LIG    1       -2.043  -2.244   0.940  0.00  0.00    +0.007 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.673  -3.433   0.183  0.00  0.00    -0.017 C 
ATOM     27  C   LIG    1       -2.211  -4.750   0.813  0.00  0.00    +0.007 C 
ATOM     28  C   LIG    1       -4.203  -3.373   0.190  0.00  0.00    +0.007 C 
ENDBRANCH  25  26
ENDBRANCH  16  25
ENDBRANCH   1  15
TORSDOF 6