REMARK  Name = BDB036422
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.139  -0.813  -0.487  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -2.321  -1.468  -1.694  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -3.135  -2.329  -1.963  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.325  -0.925  -2.625  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -0.621   0.089  -1.974  0.00  0.00    -0.013 A 
ATOM      6  C   LIG    1        0.375   0.796  -2.641  0.00  0.00    -0.025 A 
ATOM      7  C   LIG    1        0.650   0.422  -3.970  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -0.068  -0.608  -4.609  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -1.077  -1.293  -3.933  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -1.133   0.238  -0.577  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -5.092   0.387   3.978  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -4.534  -0.054   2.977  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -4.862   0.401   1.726  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -5.519   1.169   1.709  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -4.114   0.251   0.579  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -4.284   1.010  -0.373  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -3.100  -0.906   0.603  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -2.426  -0.950   1.972  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -3.482  -1.136   3.050  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   6  20
ATOM     20  C   LIG    1        1.149   1.899  -1.974  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.247   1.361  -1.206  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1        2.991   0.900  -1.718  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        2.271   1.375   0.169  0.00  0.00    +0.247 C 
ATOM     24  O   LIG    1        1.366   1.857   0.844  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1        3.449   0.760   0.845  0.00  0.00    +0.072 A 
ATOM     26  C   LIG    1        4.501   0.157   0.150  0.00  0.00    +0.137 A 
ATOM     27  F   LIG    1        4.502   0.101  -1.191  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1        5.582  -0.409   0.823  0.00  0.00    +0.059 A 
ATOM     29  C   LIG    1        5.618  -0.372   2.214  0.00  0.00    +0.044 A 
ATOM     30 CL   LIG    1        6.948  -1.066   3.053  0.00  0.00    -0.083 Cl
ATOM     31  C   LIG    1        4.582   0.225   2.930  0.00  0.00    +0.021 A 
ATOM     32  C   LIG    1        3.500   0.789   2.248  0.00  0.00    +0.017 A 
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 4