REMARK  Name = BDB017079
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.675   1.353   0.962  0.00  0.00    -0.332 N 
ATOM      2  C   LIG    1       -0.433   0.789   0.826  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        0.354   1.764   0.242  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1       -0.394   2.909   0.049  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -1.596   2.635   0.499  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        1.768   1.641  -0.114  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        2.417   2.798  -0.395  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        3.721   2.728  -0.727  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        4.432   1.546  -0.796  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        3.764   0.355  -0.507  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1        2.409   0.408  -0.162  0.00  0.00    +0.041 A 
BRANCH  10  12
ATOM     12  C   LIG    1        4.468  -0.917  -0.567  0.00  0.00    +0.204 A 
ATOM     13  N   LIG    1        3.913  -2.114  -0.300  0.00  0.00    -0.133 NA
ATOM     14  N   LIG    1        4.972  -2.914  -0.499  0.00  0.00    -0.176 N 
ATOM     15  H   LIG    1        4.918  -3.922  -0.384  0.00  0.00    +0.214 HD
ATOM     16  N   LIG    1        6.108  -2.309  -0.859  0.00  0.00    -0.049 NA
ATOM     17  N   LIG    1        5.798  -1.022  -0.907  0.00  0.00    -0.108 NA
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  18
ATOM     18  C   LIG    1       -2.846   0.744   1.574  0.00  0.00    +0.160 C 
BRANCH  18  21
ATOM     19 CL   LIG    1       -4.785   1.626  -0.704  0.00  0.00    -0.083 Cl
ATOM     20  C   LIG    1       -4.311  -0.004  -0.368  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1       -3.450  -0.331   0.699  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1       -3.163  -1.696   0.900  0.00  0.00    +0.047 A 
ATOM     23 CL   LIG    1       -2.150  -2.250   2.189  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1       -3.702  -2.683   0.065  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -4.541  -2.333  -0.988  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1       -4.847  -0.994  -1.201  0.00  0.00    +0.020 A 
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 4