REMARK  Name = BDB003527
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.738   1.104   1.303  0.00  0.00    -0.255 N 
ATOM      2  C   LIG    1       -1.562   0.826   2.374  0.00  0.00    +0.121 C 
ATOM      3  S   LIG    1       -1.161   0.764   3.992  0.00  0.00    -0.027 S 
ATOM      4  S   LIG    1       -3.196   0.511   1.802  0.00  0.00    -0.061 S 
ATOM      5  C   LIG    1       -2.757   0.704   0.154  0.00  0.00    +0.077 C 
ATOM      6  C   LIG    1       -3.540   0.612  -0.929  0.00  0.00    +0.028 C 
ATOM      7  C   LIG    1       -1.311   1.025   0.045  0.00  0.00    +0.258 C 
ATOM      8  O   LIG    1       -0.725   1.172  -1.019  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -4.976   0.313  -0.936  0.00  0.00    -0.024 A 
ATOM     10  C   LIG    1       -5.874   1.278  -1.407  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1       -7.244   1.009  -1.439  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -7.723  -0.227  -1.009  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -6.834  -1.197  -0.549  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -5.463  -0.930  -0.517  0.00  0.00    +0.008 A 
ENDBRANCH   6   9
BRANCH   1  15
ATOM     15  C   LIG    1        0.694   1.405   1.402  0.00  0.00    +0.126 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.546   0.146   1.271  0.00  0.00    +0.140 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.008   0.487   1.372  0.00  0.00    +0.309 C 
ATOM     18  O   LIG    1        3.457   1.603   1.585  0.00  0.00    -0.251 OA
BRANCH  17  19
ATOM     19  O   LIG    1        3.749  -0.642   1.192  0.00  0.00    -0.465 OA
BRANCH  19  20
ATOM     20  C   LIG    1        5.173  -0.474   1.254  0.00  0.00    +0.232 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.739  -0.030  -0.094  0.00  0.00    +0.041 C 
BRANCH  21  23
ATOM     22  C   LIG    1        5.883  -2.354  -1.140  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1        5.357  -0.933  -1.271  0.00  0.00    -0.000 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 8