REMARK  Name = BDB063536
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.669   1.016   1.912  0.00  0.00    +0.000 OA
ATOM      2  C   LIG    1       -0.912   0.537   1.025  0.00  0.00    +0.000 C 
ATOM      3  N   LIG    1       -1.341  -0.596   0.253  0.00  0.00    +0.000 N 
ATOM      4  H   LIG    1       -0.673  -1.027  -0.426  0.00  0.00    +0.000 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.406   1.157   0.797  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1        1.361   0.818  -0.142  0.00  0.00    +0.000 A 
ATOM      7  N   LIG    1        2.406   1.653   0.012  0.00  0.00    +0.000 N 
ATOM      8  N   LIG    1        2.174   2.497   1.005  0.00  0.00    +0.000 NA
ATOM      9  C   LIG    1        0.952   2.218   1.499  0.00  0.00    +0.000 A 
BRANCH   7  10
ATOM     10  C   LIG    1        3.652   1.608  -0.745  0.00  0.00    +0.000 C 
BRANCH  10  11
ATOM     11  C   LIG    1        4.532   0.503  -0.225  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        5.091   0.596   1.060  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        5.901  -0.433   1.552  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        6.157  -1.559   0.765  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        5.604  -1.659  -0.515  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        4.794  -0.632  -1.010  0.00  0.00    +0.000 A 
ENDBRANCH  10  11
ENDBRANCH   7  10
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  C   LIG    1       -2.681  -1.175   0.414  0.00  0.00    +0.000 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.741  -0.221  -0.092  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -4.883   0.041   0.686  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -5.869   0.919   0.222  0.00  0.00    +0.000 A 
ATOM     21 CL   LIG    1       -7.288   1.241   1.201  0.00  0.00    +0.000 Cl
ATOM     22  C   LIG    1       -5.724   1.539  -1.023  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.596   1.281  -1.806  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -3.609   0.406  -1.346  0.00  0.00    +0.000 A 
ENDBRANCH  17  18
BRANCH  17  25
ATOM     25  B   LIG    1       -2.801  -2.584  -0.345  0.00  0.00    +0.000 B 
BRANCH  25  26
ATOM     26  O   LIG    1       -3.152  -3.788   0.405  0.00  0.00    +0.000 OA
ATOM     27  H   LIG    1       -4.141  -3.827   0.365  0.00  0.00    +0.000 HD
ENDBRANCH  25  26
BRANCH  25  28
ATOM     28  O   LIG    1       -2.548  -2.674  -1.782  0.00  0.00    +0.000 OA
ATOM     29  H   LIG    1       -3.434  -2.534  -2.202  0.00  0.00    +0.000 HD
ENDBRANCH  25  28
ENDBRANCH  17  25
ENDBRANCH   3  17
TORSDOF 8