REMARK  Name = BDB017330
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.281  -3.989  -0.848  0.00  0.00    -0.325 N 
ATOM      2  H   LIG    1        1.722  -4.671  -1.462  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.129  -3.788  -1.152  0.00  0.00    +0.072 C 
ATOM      4  C   LIG    1       -0.415  -2.958  -2.405  0.00  0.00    +0.027 C 
ATOM      5  C   LIG    1       -1.675  -2.143  -2.087  0.00  0.00    +0.011 C 
ATOM      6  C   LIG    1       -2.181  -2.640  -0.735  0.00  0.00    +0.011 C 
ATOM      7  C   LIG    1       -2.784  -1.410  -0.079  0.00  0.00    +0.113 C 
ATOM      8  N   LIG    1       -1.888  -0.316  -0.510  0.00  0.00    -0.180 NA
ATOM      9  C   LIG    1       -1.430  -0.642  -1.895  0.00  0.00    +0.113 C 
ATOM     10  C   LIG    1       -0.937  -3.170  -0.019  0.00  0.00    +0.027 C 
BRANCH   8  11
ATOM     11  S   LIG    1       -2.383   1.283  -0.293  0.00  0.00    +0.037 S 
ATOM     12  O   LIG    1       -1.354   2.095  -0.915  0.00  0.00    -0.158 OA
ATOM     13  O   LIG    1       -3.752   1.374  -0.754  0.00  0.00    -0.158 OA
BRANCH  11  14
ATOM     14  C   LIG    1       -2.318   1.588   1.525  0.00  0.00    +0.095 C 
ATOM     15  C   LIG    1       -1.090   0.910   2.143  0.00  0.00    +0.036 C 
ATOM     16  C   LIG    1       -3.606   1.106   2.205  0.00  0.00    +0.036 C 
ATOM     17  C   LIG    1       -2.206   3.111   1.739  0.00  0.00    +0.036 C 
ENDBRANCH  11  14
ENDBRANCH   8  11
ENDBRANCH   1   3
BRANCH   1  20
ATOM     18  C   LIG    1        2.565  -0.663  -0.287  0.00  0.00    +0.221 A 
ATOM     19  N   LIG    1        1.708  -1.662  -0.572  0.00  0.00    -0.198 NA
ATOM     20  C   LIG    1        2.168  -2.930  -0.607  0.00  0.00    +0.143 A 
ATOM     21  C   LIG    1        3.504  -3.210  -0.342  0.00  0.00    +0.099 A 
ATOM     22 CL   LIG    1        4.161  -4.800  -0.375  0.00  0.00    -0.078 Cl
ATOM     23  C   LIG    1        4.308  -2.133  -0.057  0.00  0.00    +0.137 A 
ATOM     24  N   LIG    1        3.865  -0.863  -0.025  0.00  0.00    -0.221 NA
BRANCH  18  25
ATOM     25  N   LIG    1        2.025   0.623  -0.290  0.00  0.00    -0.281 N 
ATOM     26  H   LIG    1        1.043   0.566  -0.537  0.00  0.00    +0.155 HD
BRANCH  25  31
ATOM     27  C   LIG    1        2.692   5.407   0.129  0.00  0.00    +0.172 C 
ATOM     28  N   LIG    1        2.887   3.978   0.122  0.00  0.00    -0.273 N 
ATOM     29  N   LIG    1        4.094   3.473   0.442  0.00  0.00    -0.178 NA
ATOM     30  C   LIG    1        3.918   2.151   0.319  0.00  0.00    +0.157 A 
ATOM     31  C   LIG    1        2.603   1.819  -0.066  0.00  0.00    +0.071 A 
ATOM     32  C   LIG    1        1.959   3.026  -0.183  0.00  0.00    +0.131 A 
ENDBRANCH  25  31
ENDBRANCH  18  25
ENDBRANCH   1  20
TORSDOF 6