REMARK  Name = BDB047989
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.160   0.062  -1.504  0.00  0.00    +0.243 C 
ATOM      2  N   LIG    1       -0.489  -0.941  -2.002  0.00  0.00    -0.204 NA
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -1.850  -0.850  -1.948  0.00  0.00    +0.154 A 
ATOM      4  C   LIG    1       -2.671  -0.798  -0.692  0.00  0.00    +0.293 A 
ATOM      5  O   LIG    1       -2.200  -0.747   0.433  0.00  0.00    -0.264 OA
ATOM      6  N   LIG    1       -4.018  -0.781  -1.080  0.00  0.00    -0.245 N 
ATOM      7  N   LIG    1       -4.067  -0.774  -2.517  0.00  0.00    -0.286 N 
ATOM      8  C   LIG    1       -5.075  -1.666  -3.099  0.00  0.00    +0.170 C 
ATOM      9  C   LIG    1       -2.739  -0.853  -2.953  0.00  0.00    +0.063 A 
ATOM     10  C   LIG    1       -2.397  -0.933  -4.404  0.00  0.00    +0.067 C 
BRANCH   6  11
ATOM     11  C   LIG    1       -5.081  -0.067  -0.358  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -4.873   1.456  -0.317  0.00  0.00    +0.027 C 
ATOM     13  C   LIG    1       -4.059   1.952   0.873  0.00  0.00    +0.002 C 
ATOM     14  C   LIG    1       -4.619   1.427   2.187  0.00  0.00    +0.000 C 
ATOM     15  C   LIG    1       -4.671  -0.094   2.211  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -5.418  -0.677   1.014  0.00  0.00    +0.027 C 
ENDBRANCH   6  11
ENDBRANCH   2   3
BRANCH   1  22
ATOM     17  C   LIG    1        2.019   0.867   1.028  0.00  0.00    +0.050 C 
ATOM     18  C   LIG    1        2.442   0.420  -0.321  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1        3.728   0.256  -0.800  0.00  0.00    +0.169 A 
ATOM     20  O   LIG    1        3.673  -0.200  -2.080  0.00  0.00    -0.356 OA
ATOM     21  N   LIG    1        2.361  -0.346  -2.470  0.00  0.00    -0.073 NA
ATOM     22  C   LIG    1        1.614   0.040  -1.424  0.00  0.00    +0.170 A 
BRANCH  19  23
ATOM     23  C   LIG    1        5.104   0.444  -0.256  0.00  0.00    +0.187 C 
ATOM     24  O   LIG    1        5.008   1.415   0.794  0.00  0.00    -0.369 OA
ATOM     25  C   LIG    1        6.058   1.303   1.748  0.00  0.00    +0.164 C 
ATOM     26  C   LIG    1        5.896   0.013   2.559  0.00  0.00    +0.012 C 
ATOM     27  C   LIG    1        7.184  -0.305   3.315  0.00  0.00    +0.010 C 
ATOM     28  C   LIG    1        5.445  -1.163   1.676  0.00  0.00    +0.008 C 
ATOM     29  C   LIG    1        5.718  -0.890   0.202  0.00  0.00    +0.040 C 
ENDBRANCH  19  23
ENDBRANCH   1  22
BRANCH   1  30
ATOM     30  O   LIG    1       -0.442   1.195  -1.052  0.00  0.00    -0.491 OA
ATOM     31  H   LIG    1        0.204   1.866  -0.784  0.00  0.00    +0.294 HD
ENDBRANCH   1  30
TORSDOF 5