REMARK  Name = BDB064041
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.884  -3.868   1.338  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.666  -2.684   1.181  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.563  -1.630   0.633  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.807  -1.904   0.222  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.908  -0.417   0.659  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.261  -0.685   1.158  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -0.460  -1.985   1.469  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.268  -2.396   1.899  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.785  -0.947  -0.320  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        5.145  -1.163  -0.041  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        6.099  -0.279  -0.577  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.736   0.797  -1.389  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.784   1.580  -1.845  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        7.917   1.104  -1.383  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        4.372   0.993  -1.675  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        7.814  -0.288  -0.394  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        3.414   0.118  -1.144  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -1.212   0.262   1.356  0.00  0.00    -0.312 N 
ATOM     19  H   LIG    1       -0.929   1.162   0.976  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.648   0.031   1.386  0.00  0.00    +0.090 C 
ATOM     21  C   LIG    1       -3.187  -0.317  -0.022  0.00  0.00    +0.013 C 
ATOM     22  C   LIG    1       -3.033   0.899  -0.954  0.00  0.00    +0.021 C 
ATOM     23  C   LIG    1       -3.747   2.113  -0.340  0.00  0.00    +0.085 C 
ATOM     24  N   LIG    1       -4.423   1.768   0.930  0.00  0.00    -0.301 NA
ATOM     25  C   LIG    1       -5.388   0.675   0.675  0.00  0.00    +0.085 C 
ATOM     26  C   LIG    1       -4.697  -0.582   0.122  0.00  0.00    +0.021 C 
ATOM     27  C   LIG    1       -3.401   1.293   1.895  0.00  0.00    +0.107 C 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3