REMARK  Name = BDB032565
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.066   0.918  -2.558  0.00  0.00    -0.197 N 
ATOM      2  H   LIG    1       -1.060   1.888  -2.855  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1        1.922   0.283  -0.755  0.00  0.00    +0.169 A 
ATOM      4  O   LIG    1        1.178  -0.831  -0.497  0.00  0.00    -0.353 OA
ATOM      5  N   LIG    1       -0.039  -0.742  -1.142  0.00  0.00    -0.061 NA
ATOM      6  C   LIG    1       -0.027   0.424  -1.788  0.00  0.00    +0.181 A 
ATOM      7  C   LIG    1        1.188   1.110  -1.574  0.00  0.00    +0.097 A 
BRANCH   3  10
ATOM      8  C   LIG    1        5.009  -0.653   1.221  0.00  0.00    +0.121 A 
ATOM      9  C   LIG    1        3.742  -0.719   0.635  0.00  0.00    +0.057 A 
ATOM     10  C   LIG    1        3.245   0.346  -0.140  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1        4.052   1.481  -0.312  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        5.317   1.553   0.272  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        5.790   0.489   1.036  0.00  0.00    +0.045 A 
BRANCH   8  15
ATOM     14  C   LIG    1        4.852  -2.819   2.193  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1        5.593  -1.622   1.990  0.00  0.00    -0.495 OA
ENDBRANCH   8  15
ENDBRANCH   3  10
ENDBRANCH   1   6
BRANCH   1  16
ATOM     16  S   LIG    1       -2.588   0.220  -2.641  0.00  0.00    +0.081 S 
ATOM     17  O   LIG    1       -3.426   1.194  -3.316  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1       -2.417  -1.104  -3.202  0.00  0.00    -0.150 OA
BRANCH  16  19
ATOM     19  C   LIG    1       -3.141   0.145  -0.962  0.00  0.00    +0.191 A 
ATOM     20  C   LIG    1       -3.670  -1.028  -0.417  0.00  0.00    +0.150 A 
ATOM     21  C   LIG    1       -4.088  -1.054   0.920  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1       -3.952   0.076   1.724  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -3.433   1.250   1.184  0.00  0.00    +0.048 A 
ATOM     24  C   LIG    1       -3.058   1.296  -0.163  0.00  0.00    +0.150 A 
BRANCH  20  25
ATOM     25  O   LIG    1       -3.911  -2.135  -1.182  0.00  0.00    -0.493 OA
ATOM     26  C   LIG    1       -2.991  -3.186  -0.878  0.00  0.00    +0.277 C 
ENDBRANCH  20  25
BRANCH  24  27
ATOM     27  O   LIG    1       -2.556   2.470  -0.667  0.00  0.00    -0.493 OA
ATOM     28  C   LIG    1       -3.592   3.450  -0.797  0.00  0.00    +0.277 C 
ENDBRANCH  24  27
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 7