REMARK  Name = BDB006952
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.343   0.810  -1.114  0.00  0.00    +0.181 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.066   1.371  -0.848  0.00  0.00    +0.234 C 
ATOM      3  N   LIG    1       -2.007   0.487  -0.342  0.00  0.00    -0.269 N 
ATOM      4  C   LIG    1       -3.346   0.799  -0.034  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1       -4.009  -0.330   0.459  0.00  0.00    -0.019 A 
ATOM      6  C   LIG    1       -5.346  -0.268   0.836  0.00  0.00    +0.007 A 
ATOM      7  C   LIG    1       -6.018   0.950   0.715  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1       -5.350   2.075   0.217  0.00  0.00    +0.043 A 
ATOM      9 CL   LIG    1       -6.204   3.565   0.073  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1       -3.103  -1.538   0.471  0.00  0.00    +0.008 C 
ATOM     11  C   LIG    1       -3.031  -2.197   1.852  0.00  0.00    +0.017 C 
ATOM     12  C   LIG    1       -3.547  -2.557  -0.586  0.00  0.00    +0.017 C 
ATOM     13  C   LIG    1       -4.008   2.010  -0.165  0.00  0.00    +0.043 A 
ATOM     14  C   LIG    1       -1.744  -0.900   0.086  0.00  0.00    +0.124 C 
ATOM     15  O   LIG    1       -1.290   2.555  -1.111  0.00  0.00    -0.274 OA
ENDBRANCH   1   2
BRANCH   1  22
ATOM     16  C   LIG    1        2.392   3.856   1.500  0.00  0.00    +0.025 C 
ATOM     17  C   LIG    1        2.248   2.715   0.493  0.00  0.00    +0.065 C 
ATOM     18  N   LIG    1        3.577   2.120   0.255  0.00  0.00    -0.311 NA
ATOM     19  H   LIG    1        3.962   1.822   1.153  0.00  0.00    +0.122 HD
ATOM     20  C   LIG    1        3.464   0.932  -0.609  0.00  0.00    +0.102 C 
ATOM     21  C   LIG    1        2.425  -0.115  -0.105  0.00  0.00    +0.092 C 
ATOM     22  N   LIG    1        1.067   0.476   0.135  0.00  0.00    -0.287 NA
ATOM     23  C   LIG    1        1.226   1.667   1.010  0.00  0.00    +0.103 C 
BRANCH  21  24
ATOM     24  C   LIG    1        2.399  -1.355  -1.026  0.00  0.00    +0.163 C 
BRANCH  24  25
ATOM     25  N   LIG    1        3.646  -2.099  -1.027  0.00  0.00    -0.270 N 
ATOM     26  N   LIG    1        4.038  -2.752   0.082  0.00  0.00    -0.180 NA
ATOM     27  C   LIG    1        5.193  -3.318  -0.275  0.00  0.00    +0.134 A 
ATOM     28  C   LIG    1        5.538  -3.034  -1.608  0.00  0.00    +0.041 A 
ATOM     29  C   LIG    1        4.512  -2.245  -2.073  0.00  0.00    +0.108 A 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH   1  22
TORSDOF 4