REMARK  Name = BDB063878
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.253  -3.176   1.667  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.140  -1.998   1.401  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.135  -1.073   0.791  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.355  -1.488   0.428  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.594   0.193   0.713  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.601   0.066   1.206  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -0.927  -1.183   1.600  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.760  -1.472   2.077  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.421  -0.663  -0.161  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.750  -0.945   0.195  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.785  -0.189  -0.384  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.532   0.824  -1.311  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.651   1.482  -1.796  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        7.728   0.976  -1.242  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        4.197   1.086  -1.673  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        7.487  -0.301  -0.128  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        3.159   0.338  -1.101  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -1.461   1.111   1.322  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1       -0.980   1.967   1.044  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.827   1.111   0.777  0.00  0.00    +0.101 C 
ATOM     21  C   LIG    1       -2.856   0.594  -0.680  0.00  0.00    +0.135 C 
ATOM     22  C   LIG    1       -4.295   0.508  -1.177  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1       -5.171  -0.386  -0.298  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -4.519  -0.785   1.026  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1       -3.818   0.391   1.702  0.00  0.00    +0.025 C 
BRANCH  21  26
ATOM     26  O   LIG    1       -2.120   1.479  -1.527  0.00  0.00    -0.390 OA
ATOM     27  H   LIG    1       -1.179   1.370  -1.292  0.00  0.00    +0.210 HD
ENDBRANCH  21  26
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4