REMARK  Name = BDB058052
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.674   0.223  -0.486  0.00  0.00    -0.021 A 
ATOM      2  C   LIG    1       -0.473  -0.576  -0.452  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -1.554  -0.211   0.357  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1       -1.491   0.932   1.159  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1       -0.357   1.740   1.114  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.716   1.391   0.289  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1  13
ATOM      7  C   LIG    1        5.785  -0.081   1.329  0.00  0.00    +0.079 A 
ATOM      8  C   LIG    1        4.893  -0.212   0.280  0.00  0.00    +0.152 A 
ATOM      9  O   LIG    1        3.533   0.007   0.317  0.00  0.00    -0.451 OA
ATOM     10  C   LIG    1        3.062  -0.245  -0.965  0.00  0.00    +0.176 C 
ATOM     11  C   LIG    1        4.172  -0.648  -1.865  0.00  0.00    +0.231 C 
ATOM     12  O   LIG    1        4.137  -0.944  -3.038  0.00  0.00    -0.283 OA
ATOM     13  C   LIG    1        1.786  -0.163  -1.361  0.00  0.00    +0.058 C 
ATOM     14  C   LIG    1        5.335  -0.601  -0.987  0.00  0.00    +0.068 A 
ATOM     15  C   LIG    1        6.659  -0.870  -1.273  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        7.573  -0.739  -0.228  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        7.141  -0.348   1.057  0.00  0.00    +0.017 A 
BRANCH   7  21
ATOM     18  N   LIG    1        4.077   0.478   2.992  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1        3.334   0.270   2.337  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1        3.827   0.702   3.946  0.00  0.00    +0.145 HD
ATOM     21  C   LIG    1        5.402   0.323   2.706  0.00  0.00    +0.245 C 
ATOM     22  O   LIG    1        6.249   0.506   3.573  0.00  0.00    -0.270 OA
ENDBRANCH   7  21
ENDBRANCH   1  13
BRANCH   3  23
ATOM     23  C   LIG    1       -2.737  -1.095   0.404  0.00  0.00    +0.247 C 
ATOM     24  N   LIG    1       -3.991  -0.572   0.075  0.00  0.00    -0.288 N 
ATOM     25  C   LIG    1       -4.124   0.595  -0.818  0.00  0.00    +0.184 C 
ATOM     26  C   LIG    1       -5.528   1.077  -0.878  0.00  0.00    +0.151 A 
ATOM     27  N   LIG    1       -6.571   0.399  -0.314  0.00  0.00    -0.315 N 
ATOM     28  C   LIG    1       -7.692   1.108  -0.580  0.00  0.00    +0.225 A 
ATOM     29  N   LIG    1       -7.368   2.173  -1.278  0.00  0.00    -0.138 NA
ATOM     30  C   LIG    1       -6.431  -0.824   0.436  0.00  0.00    +0.143 C 
ATOM     31  N   LIG    1       -6.001   2.154  -1.468  0.00  0.00    -0.133 NA
ATOM     32  C   LIG    1       -5.117  -1.515   0.081  0.00  0.00    +0.130 C 
ATOM     33  O   LIG    1       -2.558  -2.263   0.740  0.00  0.00    -0.270 OA
ENDBRANCH   3  23
TORSDOF 3