REMARK  Name = BDB018682
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        6.776  -0.112   0.057  0.00  0.00    -0.268 N 
ATOM      2  C   LIG    1        5.507  -0.810  -0.295  0.00  0.00    +0.132 C 
ATOM      3  C   LIG    1        4.829   0.093  -1.336  0.00  0.00    +0.069 C 
ATOM      4  C   LIG    1        3.946  -0.771  -2.227  0.00  0.00    +0.225 C 
ATOM      5  O   LIG    1        4.334  -1.272  -3.280  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1        2.698  -1.069  -1.749  0.00  0.00    -0.285 N 
ATOM      7  H   LIG    1        2.173  -1.749  -2.286  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1        2.095  -0.424  -0.666  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        2.717   0.685  -0.090  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1        2.092   1.340   0.973  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        0.865   0.878   1.458  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        0.227  -0.234   0.883  0.00  0.00    -0.016 A 
ATOM     13  C   LIG    1        0.861  -0.876  -0.194  0.00  0.00    +0.032 A 
ATOM     14  C   LIG    1        3.999   1.209  -0.680  0.00  0.00    +0.054 C 
ATOM     15  C   LIG    1        6.044   0.656  -2.082  0.00  0.00    +0.037 C 
ATOM     16  C   LIG    1        7.082   0.892  -0.993  0.00  0.00    +0.117 C 
ENDROOT
BRANCH  12  17
ATOM     17  C   LIG    1       -1.070  -0.709   1.392  0.00  0.00    -0.016 A 
ATOM     18  C   LIG    1       -2.160   0.167   1.515  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1       -3.394  -0.297   1.990  0.00  0.00    +0.106 A 
ATOM     20  C   LIG    1       -3.552  -1.625   2.388  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1       -2.478  -2.504   2.272  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -1.252  -2.050   1.774  0.00  0.00    +0.008 A 
BRANCH  19  23
ATOM     23  S   LIG    1       -4.749   0.844   2.164  0.00  0.00    +0.061 S 
ATOM     24  O   LIG    1       -5.644   0.306   3.167  0.00  0.00    -0.153 OA
ATOM     25  O   LIG    1       -4.184   2.170   2.302  0.00  0.00    -0.153 OA
BRANCH  23  26
ATOM     26  N   LIG    1       -5.535   0.764   0.665  0.00  0.00    -0.172 NA
ATOM     27  C   LIG    1       -4.808   1.310  -0.515  0.00  0.00    +0.137 C 
ATOM     28  C   LIG    1       -5.782   1.454  -1.690  0.00  0.00    +0.177 C 
ATOM     29  O   LIG    1       -6.396   0.195  -2.008  0.00  0.00    -0.377 OA
ATOM     30  C   LIG    1       -7.141  -0.293  -0.881  0.00  0.00    +0.177 C 
ATOM     31  C   LIG    1       -6.227  -0.513   0.331  0.00  0.00    +0.137 C 
ENDBRANCH  23  26
ENDBRANCH  19  23
ENDBRANCH  12  17
BRANCH   1  33
ATOM     32  N   LIG    1        8.422  -0.945   1.737  0.00  0.00    -0.174 NA
ATOM     33  C   LIG    1        7.659  -0.558   0.958  0.00  0.00    +0.169 C 
ENDBRANCH   1  33
TORSDOF 4