REMARK  Name = BDB016582
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.772  -1.300  -0.887  0.00  0.00    +0.084 C 
ATOM      2  C   LIG    1       -0.025  -0.112  -0.231  0.00  0.00    +0.107 C 
ATOM      3  N   LIG    1        1.445  -0.150  -0.252  0.00  0.00    -0.296 NA
ATOM      4  C   LIG    1        2.073  -1.452  -0.011  0.00  0.00    +0.085 C 
ATOM      5  C   LIG    1        1.411  -2.367   1.023  0.00  0.00    +0.015 C 
ATOM      6  C   LIG    1        0.304  -3.236   0.428  0.00  0.00    +0.003 C 
ATOM      7  C   LIG    1       -0.974  -2.491   0.059  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1       -2.054  -0.897  -1.475  0.00  0.00    -0.337 N 
ATOM      9  H   LIG    1       -2.056  -0.934  -2.497  0.00  0.00    +0.146 HD
BRANCH   8  16
ATOM     10  C   LIG    1       -6.314   1.944   0.943  0.00  0.00    +0.176 C 
ATOM     11  N   LIG    1       -5.238   1.251   0.258  0.00  0.00    -0.231 N 
ATOM     12  C   LIG    1       -5.302   1.050  -1.116  0.00  0.00    +0.287 A 
ATOM     13  O   LIG    1       -6.227   1.459  -1.817  0.00  0.00    -0.265 OA
ATOM     14  C   LIG    1       -4.157   0.300  -1.707  0.00  0.00    +0.129 A 
ATOM     15 CL   LIG    1       -4.171   0.096  -3.433  0.00  0.00    -0.076 Cl
ATOM     16  C   LIG    1       -3.147  -0.195  -0.971  0.00  0.00    +0.071 A 
ATOM     17  C   LIG    1       -3.312   0.065   0.481  0.00  0.00    +0.157 A 
ATOM     18  N   LIG    1       -4.260   0.726   1.060  0.00  0.00    -0.175 NA
ENDBRANCH   8  16
ENDBRANCH   1   8
BRANCH   3  19
ATOM     19  C   LIG    1        1.990   0.914   0.615  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.420   1.291   0.289  0.00  0.00    -0.033 A 
ATOM     21  C   LIG    1        4.396   1.321   1.297  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        5.709   1.690   1.000  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        6.061   2.038  -0.302  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.099   2.020  -1.311  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        3.786   1.652  -1.017  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 4