REMARK  Name = BDB041953
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.184  -0.614   0.390  0.00  0.00    +0.164 A 
ATOM      2  C   LIG    1        1.679  -1.442  -0.529  0.00  0.00    +0.150 A 
ATOM      3 CL   LIG    1        2.694  -2.469  -1.479  0.00  0.00    -0.074 Cl
ATOM      4  C   LIG    1        0.214  -1.484  -0.794  0.00  0.00    +0.290 A 
ATOM      5  O   LIG    1       -0.255  -2.206  -1.673  0.00  0.00    -0.264 OA
ATOM      6  N   LIG    1       -0.579  -0.668   0.017  0.00  0.00    -0.216 N 
ATOM      7  N   LIG    1       -0.077   0.162   0.998  0.00  0.00    -0.172 NA
ATOM      8  C   LIG    1        1.204   0.167   1.164  0.00  0.00    +0.180 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -2.005  -0.545  -0.296  0.00  0.00    +0.197 C 
ATOM     10  C   LIG    1       -2.210   0.608  -1.288  0.00  0.00    +0.244 C 
ATOM     11  O   LIG    1       -1.329   1.073  -2.010  0.00  0.00    -0.273 OA
ATOM     12  N   LIG    1       -3.498   1.092  -1.378  0.00  0.00    -0.255 N 
ATOM     13  H   LIG    1       -3.633   1.849  -2.034  0.00  0.00    +0.158 HD
ATOM     14  C   LIG    1       -4.540   0.860  -0.515  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1       -5.590   1.488  -0.608  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -4.338  -0.231   0.509  0.00  0.00    +0.099 C 
ATOM     17  C   LIG    1       -2.882  -0.321   0.936  0.00  0.00    +0.045 C 
ENDBRANCH   6   9
BRANCH   1  18
ATOM     18  O   LIG    1        3.525  -0.528   0.705  0.00  0.00    -0.489 OA
BRANCH  18  20
ATOM     19  C   LIG    1        5.585   0.656   0.479  0.00  0.00    +0.048 C 
ATOM     20  C   LIG    1        4.093   0.687   0.204  0.00  0.00    +0.226 C 
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 3