REMARK  Name = BDB040633
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.553  -0.828   1.503  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1        0.756  -2.115   1.000  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        1.862  -2.404   0.188  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1        1.966  -4.031  -0.398  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1        2.809  -1.413  -0.149  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        2.566  -0.109   0.337  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1        3.577   1.244  -0.051  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1        1.459   0.174   1.149  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        4.018  -1.755  -1.019  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1        5.350  -1.310  -0.420  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1        5.594  -1.354   0.784  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1        6.324  -0.927  -1.311  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1        7.205  -0.647  -0.903  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1        6.324  -1.087  -2.673  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1        7.335  -0.874  -3.336  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        5.055  -1.621  -3.289  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1        3.839  -1.249  -2.455  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1       -0.647  -0.519   2.354  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -3.041  -0.064   2.098  0.00  0.00    +0.226 C 
ATOM     20  N   LIG    1       -1.790  -0.214   1.528  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -1.618   0.249   0.643  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -3.242  -0.303   3.287  0.00  0.00    -0.275 OA
BRANCH  19  23
ATOM     23  C   LIG    1       -4.150   0.421   1.137  0.00  0.00    +0.100 C 
ATOM     24  C   LIG    1       -5.496   0.489   1.881  0.00  0.00    +0.029 C 
ATOM     25  C   LIG    1       -4.289  -0.576  -0.025  0.00  0.00    +0.029 C 
BRANCH  23  29
ATOM     26  C   LIG    1       -3.013   3.865  -2.111  0.00  0.00    +0.109 C 
ATOM     27  C   LIG    1       -3.250   3.334  -0.755  0.00  0.00    +0.193 A 
ATOM     28  O   LIG    1       -3.596   2.013  -0.668  0.00  0.00    -0.444 OA
ATOM     29  C   LIG    1       -3.768   1.797   0.674  0.00  0.00    +0.140 A 
ATOM     30  C   LIG    1       -3.507   2.988   1.317  0.00  0.00    +0.157 A 
ATOM     31  N   LIG    1       -3.170   3.953   0.403  0.00  0.00    -0.222 NA
ENDBRANCH  23  29
ENDBRANCH  19  23
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 5