REMARK  Name = BDB016585
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.795  -0.637  -0.634  0.00  0.00    -0.337 N 
ATOM      2  H   LIG    1        0.558  -0.361  -1.590  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1       -3.427  -2.430   0.667  0.00  0.00    +0.104 C 
ATOM      4  N   LIG    1       -2.780  -1.113   0.575  0.00  0.00    -0.304 NA
ATOM      5  C   LIG    1       -1.554  -1.228  -0.239  0.00  0.00    +0.106 C 
ATOM      6  C   LIG    1       -0.321  -0.456   0.311  0.00  0.00    +0.084 C 
ATOM      7  C   LIG    1       -0.539   1.045   0.564  0.00  0.00    +0.023 C 
ATOM      8  C   LIG    1       -1.269   1.768  -0.568  0.00  0.00    +0.002 C 
ATOM      9  C   LIG    1       -2.680   2.231  -0.212  0.00  0.00    +0.001 C 
ATOM     10  C   LIG    1       -3.571   1.276   0.582  0.00  0.00    +0.015 C 
ATOM     11  C   LIG    1       -3.742  -0.137   0.020  0.00  0.00    +0.084 C 
ENDBRANCH   1   6
BRANCH   1  12
ATOM     12  C   LIG    1        2.155  -0.453  -0.378  0.00  0.00    +0.071 A 
ATOM     13  C   LIG    1        3.088  -0.108  -1.279  0.00  0.00    +0.129 A 
ATOM     14 CL   LIG    1        2.650   0.175  -2.935  0.00  0.00    -0.076 Cl
ATOM     15  C   LIG    1        4.524   0.076  -0.922  0.00  0.00    +0.287 A 
ATOM     16  O   LIG    1        5.361   0.366  -1.777  0.00  0.00    -0.265 OA
ATOM     17  N   LIG    1        4.832  -0.093   0.424  0.00  0.00    -0.231 N 
ATOM     18  C   LIG    1        6.206   0.035   0.876  0.00  0.00    +0.176 C 
ATOM     19  N   LIG    1        3.929  -0.508   1.368  0.00  0.00    -0.175 NA
ATOM     20  C   LIG    1        2.706  -0.672   0.985  0.00  0.00    +0.157 A 
ENDBRANCH   1  12
TORSDOF 2