REMARK  Name = BDB063876
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.527  -4.532   0.710  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.128  -3.414   0.454  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        0.888  -2.136   0.405  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.202  -2.083   0.659  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.027  -1.106   0.096  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -1.133  -1.673  -0.037  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -1.131  -3.012   0.148  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.923  -3.628   0.125  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.048  -0.878   0.659  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        2.841   0.183  -0.237  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        3.711   1.288  -0.198  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        4.782   1.354   0.694  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        5.553   2.503   0.616  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        5.070   3.288  -0.319  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        4.992   0.277   1.576  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        3.690   2.721  -1.157  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        4.129  -0.827   1.546  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -2.308  -1.063  -0.335  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1       -3.015  -1.649  -0.778  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.356   0.298  -0.866  0.00  0.00    +0.101 C 
ATOM     21  C   LIG    1       -3.776   0.606  -1.374  0.00  0.00    +0.135 C 
ATOM     22  C   LIG    1       -4.570   0.981  -0.123  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1       -3.540   1.441   0.908  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1       -2.176   1.346   0.227  0.00  0.00    +0.025 C 
BRANCH  21  25
ATOM     25  O   LIG    1       -4.353  -0.518  -2.035  0.00  0.00    -0.390 OA
ATOM     26  H   LIG    1       -5.251  -0.256  -2.308  0.00  0.00    +0.210 HD
ENDBRANCH  21  25
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4