REMARK  Name = BDB064419
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.145   1.986  -1.123  0.00  0.00    +0.167 A 
ATOM      2  C   LIG    1       -0.847   3.326  -1.238  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -1.791   3.653  -0.252  0.00  0.00    +0.032 A 
ATOM      4  C   LIG    1       -2.466   4.876  -0.294  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1       -2.210   5.773  -1.330  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.290   5.445  -2.326  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.047   2.672   0.773  0.00  0.00    +0.186 A 
ATOM      8  N   LIG    1       -1.365   1.483   0.743  0.00  0.00    -0.190 N 
ATOM      9  C   LIG    1       -1.840   0.752   1.818  0.00  0.00    +0.185 A 
ATOM     10  N   LIG    1       -2.764   1.479   2.433  0.00  0.00    -0.127 NA
ATOM     11  N   LIG    1       -2.885   2.687   1.784  0.00  0.00    -0.127 NA
ATOM     12  C   LIG    1       -0.611   4.223  -2.288  0.00  0.00    +0.012 A 
ATOM     13  N   LIG    1       -0.431   1.119  -0.178  0.00  0.00    -0.146 NA
ENDROOT
BRANCH   9  14
ATOM     14  C   LIG    1       -1.438  -0.610   2.193  0.00  0.00    +0.021 A 
ATOM     15  C   LIG    1       -2.335  -1.407   2.924  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1       -2.003  -2.715   3.293  0.00  0.00    +0.021 A 
ATOM     17  C   LIG    1       -0.763  -3.239   2.940  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -0.354  -4.849   3.385  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1        0.149  -2.463   2.231  0.00  0.00    +0.021 A 
ATOM     20  C   LIG    1       -0.186  -1.153   1.865  0.00  0.00    +0.013 A 
ENDBRANCH   9  14
BRANCH   1  21
ATOM     21  N   LIG    1        0.848   1.676  -2.060  0.00  0.00    -0.219 N 
ATOM     22  H   LIG    1        1.328   2.490  -2.438  0.00  0.00    +0.176 HD
BRANCH  21  24
ATOM     23  C   LIG    1        1.102  -0.561  -1.926  0.00  0.00    +0.138 C 
ATOM     24  N   LIG    1        1.694   0.592  -1.980  0.00  0.00    -0.189 NA
BRANCH  23  28
ATOM     25  C   LIG    1        3.209  -4.207  -1.337  0.00  0.00    +0.117 A 
ATOM     26  C   LIG    1        3.931  -3.023  -1.465  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1        3.247  -1.822  -1.666  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        1.850  -1.819  -1.739  0.00  0.00    -0.005 A 
ATOM     29  C   LIG    1        1.133  -3.012  -1.609  0.00  0.00    +0.013 A 
ATOM     30  C   LIG    1        1.819  -4.211  -1.406  0.00  0.00    +0.046 A 
BRANCH  25  31
ATOM     31  O   LIG    1        3.835  -5.401  -1.137  0.00  0.00    -0.507 OA
ATOM     32  H   LIG    1        4.794  -5.251  -1.101  0.00  0.00    +0.292 HD
ENDBRANCH  25  31
ENDBRANCH  23  28
ENDBRANCH  21  24
ENDBRANCH   1  21
TORSDOF 5