REMARK  Name = BDB017329
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.065  -1.039   0.035  0.00  0.00    -0.325 N 
ATOM      2  H   LIG    1        0.606  -1.901   0.106  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   8
ATOM      3  N   LIG    1        3.562   1.205   0.088  0.00  0.00    -0.166 NA
ATOM      4  C   LIG    1        2.171   1.445  -0.377  0.00  0.00    +0.114 C 
ATOM      5  C   LIG    1        1.386   1.780   0.890  0.00  0.00    +0.011 C 
ATOM      6  C   LIG    1        2.092   0.990   1.976  0.00  0.00    +0.011 C 
ATOM      7  C   LIG    1        1.431  -0.394   1.972  0.00  0.00    +0.027 C 
ATOM      8  C   LIG    1        0.072  -0.239   1.260  0.00  0.00    +0.072 C 
ATOM      9  C   LIG    1       -0.042   1.258   0.931  0.00  0.00    +0.027 C 
ATOM     10  C   LIG    1        3.555   1.001   1.559  0.00  0.00    +0.114 C 
BRANCH   3  11
ATOM     11  S   LIG    1        4.432   0.100  -0.829  0.00  0.00    +0.097 S 
ATOM     12  O   LIG    1        4.066  -1.235  -0.426  0.00  0.00    -0.141 OA
ATOM     13  O   LIG    1        4.416   0.528  -2.205  0.00  0.00    -0.141 OA
BRANCH  11  14
ATOM     14  N   LIG    1        5.963   0.458  -0.234  0.00  0.00    -0.180 NA
ATOM     15  H   LIG    1        6.179   1.405  -0.549  0.00  0.00    +0.149 HD
BRANCH  14  17
ATOM     16  C   LIG    1        8.320  -0.103   0.016  0.00  0.00    +0.022 C 
ATOM     17  C   LIG    1        7.009  -0.501  -0.640  0.00  0.00    +0.103 C 
ENDBRANCH  14  17
ENDBRANCH  11  14
ENDBRANCH   3  11
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  C   LIG    1       -1.192  -1.333  -0.532  0.00  0.00    +0.143 A 
ATOM     19  C   LIG    1       -1.271  -2.198  -1.617  0.00  0.00    +0.099 A 
ATOM     20 CL   LIG    1        0.088  -3.021  -2.270  0.00  0.00    -0.078 Cl
ATOM     21  C   LIG    1       -2.524  -2.388  -2.149  0.00  0.00    +0.137 A 
ATOM     22  N   LIG    1       -3.633  -1.784  -1.680  0.00  0.00    -0.221 NA
ATOM     23  C   LIG    1       -3.477  -0.949  -0.643  0.00  0.00    +0.221 A 
ATOM     24  N   LIG    1       -2.290  -0.705  -0.059  0.00  0.00    -0.198 NA
BRANCH  23  25
ATOM     25  N   LIG    1       -4.561  -0.265  -0.093  0.00  0.00    -0.281 N 
ATOM     26  H   LIG    1       -4.212   0.313   0.661  0.00  0.00    +0.155 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -5.867  -0.269  -0.421  0.00  0.00    +0.071 A 
ATOM     28  C   LIG    1       -6.830   0.480   0.210  0.00  0.00    +0.131 A 
ATOM     29  N   LIG    1       -8.005   0.186  -0.422  0.00  0.00    -0.273 N 
ATOM     30  C   LIG    1       -9.309   0.725  -0.124  0.00  0.00    +0.172 C 
ATOM     31  N   LIG    1       -7.872  -0.707  -1.421  0.00  0.00    -0.178 NA
ATOM     32  C   LIG    1       -6.562  -0.983  -1.419  0.00  0.00    +0.157 A 
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH   1  18
TORSDOF 7