REMARK  Name = BDB040495
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.232   0.325  -0.693  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1        3.211  -0.358   0.543  0.00  0.00    +0.047 A 
ATOM      3 CL   LIG    1        4.622  -1.072   1.250  0.00  0.00    -0.083 Cl
ATOM      4  C   LIG    1        2.021  -0.521   1.269  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1        0.813  -0.015   0.788  0.00  0.00    -0.028 A 
ATOM      6  C   LIG    1        0.809   0.633  -0.450  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1        1.994   0.799  -1.179  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1        1.835   1.585  -2.714  0.00  0.00    -0.083 Cl
ENDROOT
BRANCH   1  15
ATOM      9  O   LIG    1        8.515  -0.049  -2.392  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        7.326   0.069  -2.112  0.00  0.00    +0.219 C 
ATOM     11  N   LIG    1        6.923   0.795  -1.021  0.00  0.00    -0.256 N 
ATOM     12  H   LIG    1        7.663   1.232  -0.489  0.00  0.00    +0.157 HD
ATOM     13  C   LIG    1        5.645   1.171  -0.684  0.00  0.00    +0.227 C 
ATOM     14  O   LIG    1        5.457   2.030   0.176  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        4.515   0.537  -1.493  0.00  0.00    +0.108 C 
ATOM     16  C   LIG    1        4.965  -0.751  -2.191  0.00  0.00    +0.027 C 
ATOM     17  C   LIG    1        6.233  -0.492  -2.989  0.00  0.00    +0.097 C 
ENDBRANCH   1  15
BRANCH   5  18
ATOM     18  C   LIG    1       -0.469  -0.207   1.551  0.00  0.00    +0.139 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -1.128  -1.423   1.130  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -0.546  -2.240   0.988  0.00  0.00    +0.149 HD
ATOM     21  C   LIG    1       -2.451  -1.693   0.945  0.00  0.00    +0.224 C 
ATOM     22  O   LIG    1       -2.739  -2.840   0.590  0.00  0.00    -0.275 OA
BRANCH  21  23
ATOM     23  C   LIG    1       -3.531  -0.596   1.133  0.00  0.00    +0.072 C 
ATOM     24  C   LIG    1       -3.532  -0.118   2.607  0.00  0.00    +0.021 C 
ATOM     25  C   LIG    1       -4.982   0.207   2.979  0.00  0.00    +0.001 C 
ATOM     26  C   LIG    1       -5.845  -0.286   1.828  0.00  0.00    +0.001 C 
ATOM     27  C   LIG    1       -4.944  -1.231   1.046  0.00  0.00    +0.021 C 
BRANCH  23  28
ATOM     28  C   LIG    1       -3.406   0.487   0.049  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -3.461   1.860   0.321  0.00  0.00    +0.024 A 
ATOM     30  C   LIG    1       -3.322   2.764  -0.724  0.00  0.00    +0.111 A 
ATOM     31  N   LIG    1       -3.138   2.407  -2.010  0.00  0.00    -0.263 NA
ATOM     32  C   LIG    1       -3.113   1.085  -2.269  0.00  0.00    +0.111 A 
ATOM     33  C   LIG    1       -3.243   0.108  -1.294  0.00  0.00    +0.024 A 
ENDBRANCH  23  28
ENDBRANCH  21  23
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 5