REMARK  Name = BDB017318
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.292  -3.079   0.707  0.00  0.00    +0.143 A 
ATOM      2  C   LIG    1        0.259  -4.006   0.641  0.00  0.00    +0.099 A 
ATOM      3 CL   LIG    1        0.480  -5.685   0.947  0.00  0.00    -0.078 Cl
ATOM      4  C   LIG    1       -0.975  -3.521   0.280  0.00  0.00    +0.137 A 
ATOM      5  N   LIG    1       -1.220  -2.223   0.022  0.00  0.00    -0.221 NA
ATOM      6  C   LIG    1       -0.187  -1.378   0.143  0.00  0.00    +0.221 A 
ATOM      7  N   LIG    1        1.058  -1.776   0.459  0.00  0.00    -0.198 NA
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1        2.568  -3.487   1.123  0.00  0.00    -0.325 N 
ATOM      9  H   LIG    1        2.753  -4.426   0.774  0.00  0.00    +0.148 HD
BRANCH   8  17
ATOM     10  C   LIG    1        2.432   2.871  -1.298  0.00  0.00    +0.109 C 
ATOM     11  C   LIG    1        3.205   2.610  -0.031  0.00  0.00    +0.212 C 
ATOM     12  N   LIG    1        3.751   1.354   0.106  0.00  0.00    -0.301 N 
ATOM     13  C   LIG    1        3.691   0.274  -0.864  0.00  0.00    +0.111 C 
ATOM     14  C   LIG    1        4.644  -0.800  -0.339  0.00  0.00    +0.013 C 
ATOM     15  C   LIG    1        4.786  -0.488   1.157  0.00  0.00    +0.013 C 
ATOM     16  C   LIG    1        3.710  -1.341   1.829  0.00  0.00    +0.027 C 
ATOM     17  C   LIG    1        3.739  -2.625   1.005  0.00  0.00    +0.072 C 
ATOM     18  C   LIG    1        4.087  -2.222  -0.433  0.00  0.00    +0.027 C 
ATOM     19  C   LIG    1        4.561   1.011   1.261  0.00  0.00    +0.111 C 
ATOM     20  O   LIG    1        3.338   3.486   0.822  0.00  0.00    -0.276 OA
ENDBRANCH   8  17
ENDBRANCH   1   8
BRANCH   6  21
ATOM     21  N   LIG    1       -0.336   0.000  -0.022  0.00  0.00    -0.281 N 
ATOM     22  H   LIG    1        0.538   0.432   0.256  0.00  0.00    +0.155 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -1.404   0.753  -0.346  0.00  0.00    +0.071 A 
ATOM     24  C   LIG    1       -2.652   0.355  -0.752  0.00  0.00    +0.131 A 
ATOM     25  N   LIG    1       -3.377   1.501  -0.941  0.00  0.00    -0.267 N 
ATOM     26  N   LIG    1       -2.653   2.622  -0.750  0.00  0.00    -0.178 NA
ATOM     27  C   LIG    1       -1.462   2.163  -0.357  0.00  0.00    +0.157 A 
BRANCH  25  28
ATOM     28  C   LIG    1       -4.749   1.578  -1.412  0.00  0.00    +0.177 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -5.828   1.644  -0.306  0.00  0.00    +0.080 C 
ATOM     30  C   LIG    1       -5.603   0.636   0.825  0.00  0.00    +0.043 C 
ATOM     31  C   LIG    1       -7.203   1.399  -0.943  0.00  0.00    +0.043 C 
BRANCH  29  32
ATOM     32  O   LIG    1       -5.871   2.963   0.249  0.00  0.00    -0.387 OA
ATOM     33  H   LIG    1       -6.416   2.947   1.054  0.00  0.00    +0.210 HD
ENDBRANCH  29  32
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 7