REMARK  Name = BDB002536
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.215  -0.289  -0.662  0.00  0.00    -0.282 N 
ATOM      2  H   LIG    1       -0.292  -1.134  -0.909  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1       -0.473   0.909  -0.650  0.00  0.00    +0.221 C 
ATOM      4  O   LIG    1        0.009   2.011  -0.406  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1        3.816   0.175   0.276  0.00  0.00    +0.140 A 
ATOM      6  C   LIG    1        4.240  -1.159   0.175  0.00  0.00    +0.086 A 
ATOM      7 CL   LIG    1        5.880  -1.609   0.503  0.00  0.00    -0.080 Cl
ATOM      8  C   LIG    1        3.351  -2.172  -0.195  0.00  0.00    +0.071 A 
ATOM      9  C   LIG    1        2.019  -1.863  -0.469  0.00  0.00    +0.143 A 
ATOM     10  C   LIG    1        1.578  -0.526  -0.372  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1        2.478   0.480   0.001  0.00  0.00    +0.074 A 
BRANCH   5  13
ATOM     12  C   LIG    1        4.361   2.459   0.729  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1        4.762   1.096   0.647  0.00  0.00    -0.494 OA
ENDBRANCH   5  13
BRANCH   9  14
ATOM     14  O   LIG    1        1.058  -2.775  -0.841  0.00  0.00    -0.493 OA
ATOM     15  C   LIG    1        1.460  -4.137  -0.938  0.00  0.00    +0.277 C 
ENDBRANCH   9  14
ENDBRANCH   1  10
BRANCH   3  16
ATOM     16  C   LIG    1       -1.954   0.736  -0.988  0.00  0.00    +0.093 C 
ATOM     17  C   LIG    1       -2.717  -0.033   0.105  0.00  0.00    +0.113 C 
ATOM     18  C   LIG    1       -4.196  -0.229  -0.272  0.00  0.00    +0.042 C 
ATOM     19  C   LIG    1       -4.811   0.931  -1.002  0.00  0.00    -0.030 C 
ATOM     20  C   LIG    1       -4.105   1.981  -1.445  0.00  0.00    -0.030 C 
ATOM     21  C   LIG    1       -2.616   2.091  -1.292  0.00  0.00    +0.040 C 
BRANCH  17  22
ATOM     22  C   LIG    1       -2.592   0.654   1.450  0.00  0.00    +0.309 C 
ATOM     23  O   LIG    1       -3.339   1.483   1.938  0.00  0.00    -0.251 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -1.498   0.245   2.124  0.00  0.00    -0.480 OA
ATOM     25  H   LIG    1       -1.497   0.795   2.936  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  17  22
ENDBRANCH   3  16
TORSDOF 6