REMARK  Name = BDB012411
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.438   2.237   1.200  0.00  0.00    +0.217 A 
ATOM      2  N   LIG    1        0.444   1.192   0.921  0.00  0.00    -0.182 N 
ATOM      3  N   LIG    1       -0.151  -0.022   1.142  0.00  0.00    -0.167 NA
ATOM      4  C   LIG    1       -1.400   0.262   1.528  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1       -1.621   1.655   1.593  0.00  0.00    +0.092 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1        1.803   1.269   0.466  0.00  0.00    +0.158 A 
ATOM      7  N   LIG    1        2.373   2.485   0.260  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1        3.650   2.521  -0.168  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1        4.410   1.393  -0.408  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        3.828   0.141  -0.198  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1        2.502   0.081   0.247  0.00  0.00    +0.060 A 
BRANCH  10  12
ATOM     12  C   LIG    1        4.584  -1.079  -0.437  0.00  0.00    +0.204 A 
ATOM     13  N   LIG    1        5.862  -1.117  -0.859  0.00  0.00    -0.133 NA
ATOM     14  N   LIG    1        6.054  -2.444  -0.911  0.00  0.00    -0.176 N 
ATOM     15  H   LIG    1        6.938  -2.853  -1.199  0.00  0.00    +0.214 HD
ATOM     16  N   LIG    1        5.011  -3.204  -0.562  0.00  0.00    -0.049 NA
ATOM     17  N   LIG    1        4.057  -2.338  -0.254  0.00  0.00    -0.108 NA
ENDBRANCH  10  12
ENDBRANCH   2   6
BRANCH   1  18
ATOM     18  O   LIG    1       -0.119   3.524   1.080  0.00  0.00    -0.492 OA
ATOM     19  H   LIG    1       -0.901   4.054   1.308  0.00  0.00    +0.294 HD
ENDBRANCH   1  18
BRANCH   4  20
ATOM     20  C   LIG    1       -2.356  -0.837   1.861  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.330  -0.917   0.710  0.00  0.00    -0.040 A 
ATOM     22  C   LIG    1       -4.622  -0.380   0.827  0.00  0.00    +0.024 A 
ATOM     23  C   LIG    1       -5.514  -0.456  -0.243  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -7.093   0.212  -0.085  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -5.138  -1.065  -1.438  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -3.858  -1.604  -1.565  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -2.961  -1.531  -0.498  0.00  0.00    +0.004 A 
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 5