REMARK  Name = BDB002649
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.755  -0.244  -0.078  0.00  0.00    -0.286 N 
ATOM      2  C   LIG    1       -2.191   1.087  -0.042  0.00  0.00    +0.249 C 
ATOM      3  O   LIG    1       -3.274   1.475  -0.469  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1       -1.322   2.102   0.576  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1       -0.346   2.774  -0.164  0.00  0.00    +0.053 A 
ATOM      6 CL   LIG    1       -0.068   2.457  -1.836  0.00  0.00    -0.083 Cl
ATOM      7  C   LIG    1        0.452   3.734   0.466  0.00  0.00    +0.021 A 
ATOM      8  C   LIG    1        0.260   4.030   1.818  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -0.735   3.377   2.546  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -1.535   2.418   1.925  0.00  0.00    +0.014 A 
ENDBRANCH   2   4
BRANCH   1  11
ATOM     11  C   LIG    1       -2.634  -1.226  -0.745  0.00  0.00    +0.077 C 
ATOM     12  C   LIG    1       -3.626  -1.864   0.252  0.00  0.00    +0.022 C 
ATOM     13  C   LIG    1       -3.405  -3.361   0.437  0.00  0.00    +0.002 C 
ATOM     14  C   LIG    1       -3.456  -4.122  -0.888  0.00  0.00    +0.000 C 
ATOM     15  C   LIG    1       -2.830  -3.364  -2.060  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -1.881  -2.266  -1.594  0.00  0.00    +0.022 C 
ENDBRANCH   1  11
BRANCH   1  17
ATOM     17  C   LIG    1       -0.626  -0.727   0.731  0.00  0.00    +0.204 C 
BRANCH  17  19
ATOM     18  O   LIG    1        0.971  -0.995  -1.068  0.00  0.00    -0.274 OA
ATOM     19  C   LIG    1        0.739  -0.537   0.046  0.00  0.00    +0.235 C 
ATOM     20  N   LIG    1        1.631   0.199   0.817  0.00  0.00    -0.284 N 
ATOM     21  H   LIG    1        1.306   0.516   1.722  0.00  0.00    +0.155 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.926   0.623   0.451  0.00  0.00    +0.036 A 
ATOM     23  C   LIG    1        3.529   0.332  -0.773  0.00  0.00    +0.057 A 
ATOM     24  C   LIG    1        4.818   0.819  -1.034  0.00  0.00    +0.146 A 
ATOM     25  C   LIG    1        5.526   1.583  -0.110  0.00  0.00    +0.071 A 
ATOM     26 CL   LIG    1        7.120   2.178  -0.385  0.00  0.00    -0.081 Cl
ATOM     27  C   LIG    1        4.918   1.871   1.111  0.00  0.00    +0.024 A 
ATOM     28  C   LIG    1        3.629   1.396   1.387  0.00  0.00    +0.025 A 
BRANCH  24  29
ATOM     29  N   LIG    1        5.410   0.502  -2.309  0.00  0.00    +0.058 N 
ATOM     30  O   LIG    1        5.873  -0.638  -2.442  0.00  0.00    -0.126 OA
ATOM     31  O   LIG    1        5.390   1.388  -3.173  0.00  0.00    -0.126 OA
ENDBRANCH  24  29
ENDBRANCH  20  22
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 6