REMARK  Name = BDB064018
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.473   2.620  -2.899  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -0.553   1.923  -1.908  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        0.519   1.174  -1.198  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.784   1.163  -1.637  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1       -0.020   0.536  -0.101  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -1.282   0.843  -0.131  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -1.650   1.635  -1.163  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -2.554   2.030  -1.343  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        2.918   0.449  -1.028  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        3.063   0.327   0.363  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        4.192  -0.340   0.874  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.178  -0.870   0.039  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.231  -1.498   0.685  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        6.042  -1.441   1.983  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.031  -0.726  -1.353  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        4.622  -0.647   2.515  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        3.909  -0.065  -1.871  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -2.168   0.409   0.801  0.00  0.00    -0.312 N 
ATOM     19  H   LIG    1       -1.728  -0.261   1.429  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.569   0.144   0.533  0.00  0.00    +0.101 C 
ATOM     21  C   LIG    1       -3.799  -1.112  -0.300  0.00  0.00    +0.182 C 
ATOM     22  O   LIG    1       -5.061  -1.664   0.107  0.00  0.00    -0.378 OA
ATOM     23  C   LIG    1       -5.517  -0.946   1.262  0.00  0.00    +0.162 C 
ATOM     24  C   LIG    1       -4.324  -0.190   1.802  0.00  0.00    +0.052 C 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3