REMARK  Name = BDB062365
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.103   0.320   0.662  0.00  0.00    +0.228 C 
ATOM      2  N   LIG    1        0.276   1.307  -0.223  0.00  0.00    -0.268 N 
ATOM      3  C   LIG    1        1.279   2.329   0.154  0.00  0.00    +0.185 C 
ATOM      4  C   LIG    1        1.027   3.588  -0.676  0.00  0.00    +0.199 C 
ATOM      5  S   LIG    1        0.463   3.004  -2.255  0.00  0.00    -0.013 S 
ATOM      6  O   LIG    1       -0.670   3.808  -2.668  0.00  0.00    -0.173 OA
ATOM      7  O   LIG    1        1.594   2.773  -3.126  0.00  0.00    -0.173 OA
ATOM      8  C   LIG    1       -0.122   1.431  -1.626  0.00  0.00    +0.275 C 
ATOM      9  O   LIG    1        0.453   0.281   1.767  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -1.189  -0.723   0.273  0.00  0.00    +0.072 C 
ATOM     11  C   LIG    1       -1.316  -1.793   1.392  0.00  0.00    +0.021 C 
ATOM     12  C   LIG    1       -1.877  -3.022   0.694  0.00  0.00    +0.001 C 
ATOM     13  C   LIG    1       -1.218  -3.018  -0.676  0.00  0.00    +0.001 C 
ATOM     14  C   LIG    1       -0.673  -1.603  -0.893  0.00  0.00    +0.021 C 
BRANCH  10  18
ATOM     15  C   LIG    1       -5.058   1.263  -0.196  0.00  0.00    +0.120 A 
ATOM     16  C   LIG    1       -4.239   1.525   0.899  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -3.008   0.879   1.042  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1       -2.556  -0.045   0.082  0.00  0.00    -0.032 A 
ATOM     19  C   LIG    1       -3.403  -0.314  -1.006  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1       -4.637   0.337  -1.146  0.00  0.00    +0.046 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -7.084   1.760  -1.335  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -6.231   1.964  -0.216  0.00  0.00    -0.495 OA
ENDBRANCH  15  22
ENDBRANCH  10  18
ENDBRANCH   1  10
BRANCH   3  23
ATOM     23  C   LIG    1        2.725   1.803  -0.026  0.00  0.00    +0.239 C 
ATOM     24  N   LIG    1        2.962   0.639   0.683  0.00  0.00    -0.283 N 
ATOM     25  H   LIG    1        2.215   0.340   1.311  0.00  0.00    +0.155 HD
ATOM     26  O   LIG    1        3.560   2.433  -0.666  0.00  0.00    -0.273 OA
BRANCH  24  27
ATOM     27  C   LIG    1        4.128  -0.153   0.697  0.00  0.00    +0.044 A 
ATOM     28  C   LIG    1        4.165  -1.287   1.542  0.00  0.00    +0.041 A 
ATOM     29  C   LIG    1        5.298  -2.097   1.560  0.00  0.00    +0.068 A 
ATOM     30  N   LIG    1        5.024  -3.092   2.462  0.00  0.00    -0.277 N 
ATOM     31  H   LIG    1        5.626  -3.861   2.733  0.00  0.00    +0.189 HD
ATOM     32  N   LIG    1        3.808  -3.005   3.025  0.00  0.00    -0.181 NA
ATOM     33  C   LIG    1        6.426  -1.848   0.776  0.00  0.00    +0.028 A 
ATOM     34  C   LIG    1        6.379  -0.729  -0.058  0.00  0.00    +0.004 A 
ATOM     35  C   LIG    1        3.292  -1.904   2.472  0.00  0.00    +0.144 A 
ATOM     36  C   LIG    1        5.254   0.101  -0.100  0.00  0.00    +0.024 A 
ENDBRANCH  24  27
ENDBRANCH   3  23
TORSDOF 5