REMARK  Name = BDB047905
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.334  -0.678   3.269  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1        1.083  -0.404   2.101  0.00  0.00    +0.260 A 
ATOM      3  C   LIG    1        2.127  -0.009   1.145  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1        1.726   0.280  -0.160  0.00  0.00    +0.120 A 
ATOM      5  C   LIG    1        2.718   0.658  -1.078  0.00  0.00    +0.143 A 
ATOM      6  C   LIG    1        4.062   0.744  -0.700  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1        4.435   0.450   0.612  0.00  0.00    +0.004 A 
ATOM      8  N   LIG    1        0.377   0.199  -0.559  0.00  0.00    -0.225 NA
ATOM      9  C   LIG    1       -0.523  -0.152   0.303  0.00  0.00    +0.142 A 
ATOM     10  C   LIG    1        3.467   0.072   1.541  0.00  0.00    +0.015 A 
ATOM     11  N   LIG    1       -0.197  -0.451   1.608  0.00  0.00    -0.306 N 
ATOM     12  H   LIG    1       -0.883  -0.725   2.290  0.00  0.00    +0.170 HD
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1       -1.961  -0.242  -0.108  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1       -2.992  -0.614   0.767  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1       -4.317  -0.677   0.314  0.00  0.00    +0.021 A 
ATOM     16  C   LIG    1       -4.619  -0.370  -1.011  0.00  0.00    +0.041 A 
ATOM     17 CL   LIG    1       -6.247  -0.450  -1.558  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1       -3.608   0.001  -1.891  0.00  0.00    +0.021 A 
ATOM     19  C   LIG    1       -2.286   0.065  -1.441  0.00  0.00    +0.013 A 
ENDBRANCH   9  13
BRANCH   5  20
ATOM     20  O   LIG    1        2.359   0.949  -2.369  0.00  0.00    -0.505 OA
ATOM     21  H   LIG    1        3.149   1.191  -2.875  0.00  0.00    +0.292 HD
ENDBRANCH   5  20
TORSDOF 2