REMARK  Name = BDB012592
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.338  -0.851  -0.442  0.00  0.00    -0.237 N 
ATOM      2  C   LIG    1        1.029  -0.371  -0.837  0.00  0.00    +0.161 C 
ATOM      3  C   LIG    1        1.677  -1.659  -1.143  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1        0.870  -2.733  -0.921  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1        1.590  -3.890  -1.228  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        2.846  -3.461  -1.638  0.00  0.00    +0.086 A 
ATOM      7  N   LIG    1        2.887  -2.081  -1.581  0.00  0.00    -0.351 N 
ATOM      8  C   LIG    1        4.027  -1.263  -1.917  0.00  0.00    +0.148 C 
ATOM      9  C   LIG    1       -0.414  -2.280  -0.457  0.00  0.00    +0.255 C 
ATOM     10  O   LIG    1       -1.328  -3.028  -0.155  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  19
ATOM     11  C   LIG    1       -2.156   3.750  -0.316  0.00  0.00    +0.048 C 
ATOM     12  C   LIG    1       -2.303   2.262  -0.135  0.00  0.00    -0.001 A 
ATOM     13  C   LIG    1       -3.517   1.663   0.293  0.00  0.00    +0.181 A 
ATOM     14  N   LIG    1       -3.556   0.293   0.419  0.00  0.00    -0.195 N 
ATOM     15  C   LIG    1       -4.833   0.003   0.832  0.00  0.00    +0.152 A 
ATOM     16  N   LIG    1       -5.521   1.123   0.949  0.00  0.00    -0.132 NA
ATOM     17  C   LIG    1       -5.303  -1.373   1.089  0.00  0.00    +0.090 C 
ATOM     18  N   LIG    1       -2.549  -0.587   0.189  0.00  0.00    -0.148 NA
ATOM     19  C   LIG    1       -1.436  -0.043  -0.193  0.00  0.00    +0.150 A 
ATOM     20  N   LIG    1       -4.690   2.169   0.609  0.00  0.00    -0.128 NA
ATOM     21  C   LIG    1       -1.268   1.436  -0.384  0.00  0.00    +0.053 A 
ENDBRANCH   1  19
BRANCH   2  22
ATOM     22  C   LIG    1        1.750   0.392   0.264  0.00  0.00    -0.021 A 
ATOM     23  C   LIG    1        1.700  -0.021   1.608  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        2.381   0.691   2.599  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        3.126   1.816   2.256  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1        3.967   2.691   3.475  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1        3.197   2.235   0.930  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        2.517   1.525  -0.062  0.00  0.00    +0.007 A 
ENDBRANCH   2  22
TORSDOF 2