REMARK  Name = BDB024072
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.512  -0.702  -0.996  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1        0.178  -0.615  -0.659  0.00  0.00    -0.280 N 
ATOM      3  H   LIG    1       -0.052  -0.071   0.167  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        1.986  -1.315  -1.946  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        4.476   1.457  -0.134  0.00  0.00    +0.053 A 
ATOM      6  C   LIG    1        3.534   0.690  -0.827  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        2.454   0.089  -0.151  0.00  0.00    +0.057 A 
ATOM      8  C   LIG    1        2.343   0.250   1.238  0.00  0.00    +0.053 A 
ATOM      9 CL   LIG    1        1.107  -0.492   2.190  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1        3.288   1.020   1.928  0.00  0.00    +0.022 A 
ATOM     11  C   LIG    1        4.348   1.624   1.246  0.00  0.00    +0.020 A 
BRANCH   5  13
ATOM     12  N   LIG    1        6.449   2.574  -1.395  0.00  0.00    -0.191 NA
ATOM     13  C   LIG    1        5.567   2.070  -0.836  0.00  0.00    +0.099 C 
ENDBRANCH   5  13
ENDBRANCH   1   7
BRANCH   2  14
ATOM     14  C   LIG    1       -0.925  -1.248  -1.289  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1       -2.231  -1.040  -0.792  0.00  0.00    +0.092 A 
ATOM     16  N   LIG    1       -3.333  -1.642  -1.314  0.00  0.00    -0.253 NA
ATOM     17  C   LIG    1       -3.151  -2.459  -2.370  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1       -1.917  -2.713  -2.936  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1       -0.792  -2.099  -2.386  0.00  0.00    +0.027 A 
BRANCH  15  20
ATOM     20  C   LIG    1       -2.522  -0.146   0.339  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -2.893  -0.671   1.587  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1       -3.136   0.172   2.674  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -3.019   1.553   2.525  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -2.667   2.093   1.290  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -2.423   1.249   0.203  0.00  0.00    +0.010 A 
ENDBRANCH  15  20
ENDBRANCH   2  14
TORSDOF 4