REMARK  Name = BDB012828
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.237  -2.275   0.970  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1        1.188  -1.742   1.140  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        1.727  -1.749  -0.218  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1        2.760  -1.001  -0.750  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        3.321  -1.352  -1.786  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.051  -2.741  -1.030  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1       -0.013  -3.345  -0.115  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -1.304   2.478   0.225  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1       -1.744   1.042   0.208  0.00  0.00    +0.039 A 
ATOM     10  N   LIG    1       -0.832   0.096   0.544  0.00  0.00    -0.256 NA
ATOM     11  C   LIG    1       -1.237  -1.202   0.564  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -2.548  -1.569   0.262  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1       -3.476  -0.596  -0.121  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1       -3.050   0.733  -0.152  0.00  0.00    +0.031 A 
BRANCH  13  15
ATOM     15  C   LIG    1       -4.855  -0.959  -0.477  0.00  0.00    -0.018 A 
ATOM     16  C   LIG    1       -5.674  -1.667   0.420  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1       -6.985  -2.011   0.079  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -7.494  -1.650  -1.164  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1       -9.108  -2.072  -1.583  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1       -6.702  -0.952  -2.072  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -5.391  -0.608  -1.727  0.00  0.00    +0.010 A 
ENDBRANCH  13  15
ENDBRANCH   1  11
BRANCH   4  22
ATOM     22  C   LIG    1        3.111   0.222  -0.083  0.00  0.00    +0.121 A 
ATOM     23  N   LIG    1        2.215   1.112   0.443  0.00  0.00    -0.272 N 
ATOM     24  H   LIG    1        1.203   1.012   0.468  0.00  0.00    +0.189 HD
ATOM     25  N   LIG    1        2.778   2.208   0.979  0.00  0.00    -0.178 NA
ATOM     26  C   LIG    1        4.084   2.054   0.728  0.00  0.00    +0.066 A 
ATOM     27  C   LIG    1        4.338   0.836   0.052  0.00  0.00    +0.057 A 
BRANCH  26  28
ATOM     28  C   LIG    1        5.061   3.116   1.137  0.00  0.00    +0.033 C 
ATOM     29  C   LIG    1        5.659   3.823  -0.081  0.00  0.00    +0.014 C 
ATOM     30  C   LIG    1        6.171   2.557   2.030  0.00  0.00    +0.014 C 
ENDBRANCH  26  28
ENDBRANCH   4  22
TORSDOF 4