REMARK  Name = BDB017326
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.992   2.542  -0.358  0.00  0.00    -0.325 N 
ATOM      2  H   LIG    1        0.966   3.536  -0.131  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.092   1.745   0.479  0.00  0.00    +0.072 C 
ATOM      4  C   LIG    1       -1.221   2.502   0.690  0.00  0.00    +0.027 C 
ATOM      5  C   LIG    1       -2.005   2.304  -0.614  0.00  0.00    +0.011 C 
ATOM      6  C   LIG    1       -1.457   1.009  -1.236  0.00  0.00    +0.011 C 
ATOM      7  C   LIG    1       -2.656   0.078  -1.381  0.00  0.00    +0.113 C 
ATOM      8  N   LIG    1       -3.614   0.580  -0.363  0.00  0.00    -0.181 NA
ATOM      9  C   LIG    1       -3.497   2.062  -0.402  0.00  0.00    +0.113 C 
ATOM     10  C   LIG    1       -0.394   0.496  -0.256  0.00  0.00    +0.027 C 
BRANCH   8  11
ATOM     11  S   LIG    1       -5.213   0.003  -0.451  0.00  0.00    +0.032 S 
ATOM     12  O   LIG    1       -5.956   0.682   0.590  0.00  0.00    -0.158 OA
ATOM     13  O   LIG    1       -5.622   0.086  -1.838  0.00  0.00    -0.158 OA
BRANCH  11  14
ATOM     14  C   LIG    1       -4.999  -1.724   0.012  0.00  0.00    +0.188 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -6.368  -2.338  -0.012  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1       -7.224  -2.380   1.228  0.00  0.00    +0.005 C 
ATOM     17  C   LIG    1       -6.605  -3.645   0.705  0.00  0.00    +0.005 C 
ENDBRANCH  14  15
ENDBRANCH  11  14
ENDBRANCH   8  11
ENDBRANCH   1   3
BRANCH   1  20
ATOM     18  C   LIG    1        3.978   0.555   0.072  0.00  0.00    +0.221 A 
ATOM     19  N   LIG    1        2.697   0.959   0.161  0.00  0.00    -0.198 NA
ATOM     20  C   LIG    1        2.343   2.134  -0.401  0.00  0.00    +0.143 A 
ATOM     21  C   LIG    1        3.273   2.914  -1.078  0.00  0.00    +0.099 A 
ATOM     22 CL   LIG    1        2.887   4.418  -1.815  0.00  0.00    -0.078 Cl
ATOM     23  C   LIG    1        4.556   2.426  -1.120  0.00  0.00    +0.137 A 
ATOM     24  N   LIG    1        4.930   1.261  -0.555  0.00  0.00    -0.221 NA
BRANCH  18  25
ATOM     25  N   LIG    1        4.253  -0.667   0.686  0.00  0.00    -0.281 N 
ATOM     26  H   LIG    1        3.384  -1.004   1.084  0.00  0.00    +0.155 HD
BRANCH  25  31
ATOM     27  C   LIG    1        8.849  -2.292   0.454  0.00  0.00    +0.172 C 
ATOM     28  N   LIG    1        7.440  -2.135   0.716  0.00  0.00    -0.273 N 
ATOM     29  N   LIG    1        6.783  -3.087   1.407  0.00  0.00    -0.178 NA
ATOM     30  C   LIG    1        5.531  -2.622   1.458  0.00  0.00    +0.157 A 
ATOM     31  C   LIG    1        5.389  -1.380   0.802  0.00  0.00    +0.071 A 
ATOM     32  C   LIG    1        6.646  -1.094   0.333  0.00  0.00    +0.131 A 
ENDBRANCH  25  31
ENDBRANCH  18  25
ENDBRANCH   1  20
TORSDOF 7