REMARK  Name = BDB016802
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.323   0.095  -0.729  0.00  0.00    -0.252 N 
ATOM      2  C   LIG    1        0.345  -0.280   0.359  0.00  0.00    +0.161 C 
ATOM      3  C   LIG    1       -0.768  -0.798  -0.461  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -0.548  -0.651  -1.790  0.00  0.00    +0.150 A 
ATOM      5  N   LIG    1       -1.599  -1.073  -2.524  0.00  0.00    -0.221 NA
ATOM      6  C   LIG    1       -2.478  -1.521  -1.631  0.00  0.00    +0.158 A 
ATOM      7  N   LIG    1       -1.969  -1.429  -0.330  0.00  0.00    -0.321 N 
ATOM      8  C   LIG    1        0.760  -0.095  -2.031  0.00  0.00    +0.272 C 
ATOM      9  O   LIG    1        1.249   0.096  -3.133  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  17
ATOM     10  C   LIG    1        5.567   2.116  -2.377  0.00  0.00    +0.049 C 
ATOM     11  C   LIG    1        4.713   1.506  -1.314  0.00  0.00    +0.016 A 
ATOM     12  C   LIG    1        5.329   1.348   0.036  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1        6.498   1.672   0.228  0.00  0.00    -0.267 OA
ATOM     14  N   LIG    1        4.492   0.826   1.020  0.00  0.00    -0.316 N 
ATOM     15  C   LIG    1        5.027   0.631   2.360  0.00  0.00    +0.152 C 
ATOM     16  C   LIG    1        3.195   0.419   0.755  0.00  0.00    +0.112 A 
ATOM     17  C   LIG    1        2.627   0.524  -0.464  0.00  0.00    +0.054 A 
ATOM     18  C   LIG    1        3.443   1.113  -1.513  0.00  0.00    +0.033 A 
ENDBRANCH   1  17
BRANCH   2  19
ATOM     19  C   LIG    1       -0.054   0.927   1.203  0.00  0.00    -0.021 A 
ATOM     20  C   LIG    1        0.083   0.896   2.603  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -0.273   2.002   3.381  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -0.767   3.155   2.769  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1       -1.195   4.520   3.724  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1       -0.907   3.209   1.386  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -0.554   2.103   0.609  0.00  0.00    +0.007 A 
ENDBRANCH   2  19
BRANCH   6  26
ATOM     26  C   LIG    1       -3.767  -1.968  -2.079  0.00  0.00    +0.082 A 
ATOM     27  N   LIG    1       -4.102  -1.764  -3.403  0.00  0.00    -0.358 N 
ATOM     28  H   LIG    1       -3.474  -1.327  -4.066  0.00  0.00    +0.165 HD
ATOM     29  C   LIG    1       -5.375  -2.196  -3.649  0.00  0.00    +0.083 A 
ATOM     30  C   LIG    1       -5.854  -2.756  -2.490  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -4.846  -2.607  -1.501  0.00  0.00    +0.031 A 
ENDBRANCH   6  26
BRANCH   7  32
ATOM     32  C   LIG    1       -2.607  -1.890   0.895  0.00  0.00    +0.083 C 
ATOM     33  C   LIG    1       -3.473  -0.798   1.518  0.00  0.00    +0.030 C 
ATOM     34  C   LIG    1       -1.641  -2.487   1.920  0.00  0.00    +0.030 C 
ENDBRANCH   7  32
TORSDOF 4