REMARK  Name = BDB002893
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.442   0.522   1.187  0.00  0.00    +0.137 C 
ENDROOT
BRANCH   1  11
ATOM      2  C   LIG    1        1.990   0.872   0.528  0.00  0.00    +0.148 A 
ATOM      3  C   LIG    1        3.255   0.471   0.093  0.00  0.00    +0.113 A 
ATOM      4  C   LIG    1        3.464  -0.895  -0.163  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        4.734  -1.294  -0.599  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        5.737  -0.345  -0.765  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1        5.435   0.976  -0.487  0.00  0.00    +0.111 A 
ATOM      8  C   LIG    1        2.417  -1.808   0.026  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        1.162  -1.371   0.463  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1        4.224   1.401  -0.064  0.00  0.00    -0.251 NA
ATOM     11  C   LIG    1        0.912  -0.015   0.715  0.00  0.00    +0.021 A 
BRANCH   2  12
ATOM     12  O   LIG    1        1.811   2.216   0.790  0.00  0.00    -0.504 OA
ATOM     13  H   LIG    1        2.682   2.615   0.575  0.00  0.00    +0.292 HD
ENDBRANCH   2  12
ENDBRANCH   1  11
BRANCH   1  14
ATOM     14  C   LIG    1       -1.203   1.456   0.241  0.00  0.00    -0.004 A 
ATOM     15  C   LIG    1       -2.119   2.408   0.726  0.00  0.00    +0.046 A 
ATOM     16 CL   LIG    1       -2.471   2.575   2.414  0.00  0.00    -0.083 Cl
ATOM     17  C   LIG    1       -2.803   3.261  -0.150  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -2.592   3.176  -1.524  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -1.704   2.232  -2.027  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -1.021   1.380  -1.155  0.00  0.00    +0.007 A 
ENDBRANCH   1  14
BRANCH   1  21
ATOM     21  N   LIG    1       -1.315  -0.486   1.827  0.00  0.00    -0.318 N 
ATOM     22  H   LIG    1       -1.899  -0.009   2.509  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -2.140  -1.319   1.063  0.00  0.00    +0.119 A 
ATOM     24  N   LIG    1       -1.985  -1.433  -0.269  0.00  0.00    -0.241 NA
ATOM     25  C   LIG    1       -2.790  -2.285  -0.942  0.00  0.00    +0.113 A 
ATOM     26  C   LIG    1       -3.750  -3.076  -0.341  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -3.887  -2.988   1.035  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -3.070  -2.108   1.742  0.00  0.00    +0.043 A 
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 5