REMARK  Name = BDB041205
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.509   1.760   0.156  0.00  0.00    +0.182 A 
ATOM      2  N   LIG    1        3.772   3.011  -0.259  0.00  0.00    -0.223 NA
ATOM      3  C   LIG    1        2.673   3.655  -0.703  0.00  0.00    +0.115 A 
ATOM      4  C   LIG    1        1.419   3.074  -0.726  0.00  0.00    +0.192 A 
ATOM      5  O   LIG    1        0.497   3.952  -1.218  0.00  0.00    -0.458 OA
ATOM      6  C   LIG    1        1.176   5.096  -1.513  0.00  0.00    +0.198 A 
ATOM      7  C   LIG    1        1.218   1.772  -0.282  0.00  0.00    +0.166 A 
ATOM      8  C   LIG    1        2.514   4.963  -1.213  0.00  0.00    +0.069 A 
ATOM      9  N   LIG    1        2.318   1.121   0.170  0.00  0.00    -0.207 NA
ENDROOT
BRANCH   1  11
ATOM     10  N   LIG    1        4.923  -0.304   0.342  0.00  0.00    -0.257 N 
ATOM     11  C   LIG    1        4.639   1.008   0.662  0.00  0.00    +0.124 A 
ATOM     12  C   LIG    1        5.647   1.388   1.528  0.00  0.00    +0.089 A 
ATOM     13 CL   LIG    1        5.896   2.877   2.303  0.00  0.00    -0.080 Cl
ATOM     14  C   LIG    1        6.455   0.253   1.692  0.00  0.00    +0.155 A 
ATOM     15  N   LIG    1        6.016  -0.788   0.984  0.00  0.00    -0.177 NA
BRANCH  10  17
ATOM     16  C   LIG    1        5.177  -1.862  -1.578  0.00  0.00    +0.032 C 
ATOM     17  C   LIG    1        4.219  -1.184  -0.593  0.00  0.00    +0.102 C 
ATOM     18  C   LIG    1        3.384  -2.219   0.160  0.00  0.00    +0.032 C 
ENDBRANCH  10  17
ENDBRANCH   1  11
BRANCH   7  19
ATOM     19  N   LIG    1       -0.029   1.155  -0.314  0.00  0.00    -0.322 N 
ATOM     20  H   LIG    1       -0.784   1.831  -0.398  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -0.242   0.126   0.686  0.00  0.00    +0.138 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -1.686  -0.316   0.642  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1       -2.161  -1.079  -0.430  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1       -3.501  -1.478  -0.481  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1       -4.412  -1.132   0.533  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.923  -0.350   1.595  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1       -2.582   0.053   1.650  0.00  0.00    +0.006 A 
BRANCH  25  28
ATOM     28  C   LIG    1       -5.822  -1.570   0.461  0.00  0.00    +0.071 A 
ATOM     29  N   LIG    1       -6.337  -1.701  -0.790  0.00  0.00    -0.255 NA
ATOM     30  C   LIG    1       -7.623  -2.096  -0.911  0.00  0.00    +0.111 A 
ATOM     31  C   LIG    1       -8.445  -2.381   0.164  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1       -7.915  -2.257   1.440  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1       -6.590  -1.849   1.593  0.00  0.00    +0.028 A 
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   7  19
TORSDOF 6