REMARK  Name = BDB017324
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.963  -1.669   1.186  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        2.687  -1.247   1.230  0.00  0.00    -0.198 NA
ATOM      3  C   LIG    1        1.820  -1.876   2.050  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1        2.225  -2.950   2.833  0.00  0.00    +0.099 A 
ATOM      5 CL   LIG    1        1.175  -3.790   3.905  0.00  0.00    -0.078 Cl
ATOM      6  C   LIG    1        3.545  -3.315   2.724  0.00  0.00    +0.137 A 
ATOM      7  N   LIG    1        4.428  -2.696   1.915  0.00  0.00    -0.221 NA
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1        4.908  -1.056   0.363  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1        5.780  -1.559   0.468  0.00  0.00    +0.155 HD
BRANCH   8  14
ATOM     10  C   LIG    1        6.005   2.390  -2.869  0.00  0.00    +0.172 C 
ATOM     11  N   LIG    1        5.319   1.554  -1.914  0.00  0.00    -0.273 N 
ATOM     12  N   LIG    1        4.035   1.818  -1.608  0.00  0.00    -0.178 NA
ATOM     13  C   LIG    1        3.727   0.867  -0.719  0.00  0.00    +0.157 A 
ATOM     14  C   LIG    1        4.810   0.005  -0.459  0.00  0.00    +0.071 A 
ATOM     15  C   LIG    1        5.831   0.479  -1.246  0.00  0.00    +0.131 A 
ENDBRANCH   8  14
ENDBRANCH   1   8
BRANCH   3  16
ATOM     16  N   LIG    1        0.463  -1.482   2.065  0.00  0.00    -0.325 N 
ATOM     17  H   LIG    1        0.160  -1.423   3.035  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1        0.112  -0.292   1.281  0.00  0.00    +0.072 C 
ATOM     19  C   LIG    1       -0.041  -0.646  -0.211  0.00  0.00    +0.027 C 
ATOM     20  C   LIG    1       -1.542  -0.802  -0.476  0.00  0.00    +0.013 C 
ATOM     21  C   LIG    1       -2.220  -0.721   0.893  0.00  0.00    +0.013 C 
ATOM     22  C   LIG    1       -3.593  -0.136   0.612  0.00  0.00    +0.111 C 
ATOM     23  N   LIG    1       -3.428   0.627  -0.612  0.00  0.00    -0.301 N 
ATOM     24  C   LIG    1       -4.331   1.512  -1.157  0.00  0.00    +0.219 C 
ATOM     25  O   LIG    1       -4.124   2.149  -2.183  0.00  0.00    -0.275 OA
ATOM     26  C   LIG    1       -2.157   0.361  -1.259  0.00  0.00    +0.111 C 
ATOM     27  C   LIG    1       -1.286   0.184   1.696  0.00  0.00    +0.027 C 
BRANCH  24  28
ATOM     28  C   LIG    1       -5.611   1.691  -0.419  0.00  0.00    +0.075 C 
ATOM     29  C   LIG    1       -6.674   0.616  -0.450  0.00  0.00    +0.013 C 
ATOM     30  C   LIG    1       -6.899   1.902  -1.185  0.00  0.00    +0.013 C 
ENDBRANCH  24  28
ENDBRANCH  16  18
ENDBRANCH   3  16
TORSDOF 5