REMARK  Name = BDB002849
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.049   0.566  -1.565  0.00  0.00    -0.206 N 
ATOM      2  H   LIG    1        0.673  -0.223  -1.762  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.491   1.769  -2.119  0.00  0.00    +0.249 C 
ATOM      4  O   LIG    1       -0.244   2.679  -2.503  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -1.773   2.047   0.047  0.00  0.00    +0.063 C 
ATOM      6  C   LIG    1       -2.128   0.937  -0.919  0.00  0.00    +0.038 C 
ATOM      7  N   LIG    1       -1.278   0.225  -1.605  0.00  0.00    -0.189 NA
BRANCH   6   8
ATOM      8  C   LIG    1       -3.606   0.625  -1.093  0.00  0.00    +0.087 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -4.172  -0.158   0.067  0.00  0.00    -0.042 A 
ATOM     10  C   LIG    1       -3.739  -1.468   0.314  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -4.258  -2.195   1.386  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -5.216  -1.621   2.220  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -5.656  -0.320   1.981  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -5.138   0.409   0.909  0.00  0.00    +0.004 A 
ENDBRANCH   8   9
ENDBRANCH   6   8
ENDBRANCH   1   7
BRANCH   3  15
ATOM     15  C   LIG    1        2.007   1.826  -2.347  0.00  0.00    +0.202 C 
BRANCH  15  16
ATOM     16  N   LIG    1        2.815   1.285  -1.262  0.00  0.00    -0.303 N 
ATOM     17  H   LIG    1        3.326   1.944  -0.685  0.00  0.00    +0.150 HD
ATOM     18  C   LIG    1        3.061  -0.060  -1.139  0.00  0.00    +0.246 C 
ATOM     19  O   LIG    1        2.465  -0.882  -1.831  0.00  0.00    -0.270 OA
BRANCH  18  20
ATOM     20  C   LIG    1        4.002  -0.513  -0.076  0.00  0.00    +0.055 A 
ATOM     21  C   LIG    1        5.092   0.223   0.414  0.00  0.00    +0.054 A 
ATOM     22 CL   LIG    1        5.543   1.781  -0.188  0.00  0.00    -0.083 Cl
ATOM     23  C   LIG    1        5.905  -0.309   1.424  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1        5.641  -1.575   1.941  0.00  0.00    +0.042 A 
ATOM     25 CL   LIG    1        6.644  -2.219   3.180  0.00  0.00    -0.083 Cl
ATOM     26  C   LIG    1        4.573  -2.324   1.458  0.00  0.00    +0.021 A 
ATOM     27  C   LIG    1        3.760  -1.796   0.452  0.00  0.00    +0.016 A 
ENDBRANCH  18  20
ENDBRANCH  15  16
ENDBRANCH   3  15
TORSDOF 6