REMARK  Name = BDB002268
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.620   1.431  -0.545  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -2.748   0.376  -0.764  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -1.311   0.373  -1.044  0.00  0.00    +0.262 C 
ATOM      4  N   LIG    1       -0.923  -0.942  -1.136  0.00  0.00    -0.168 N 
ATOM      5  C   LIG    1       -1.992  -1.783  -0.973  0.00  0.00    +0.261 C 
ATOM      6  O   LIG    1       -2.031  -2.998  -0.905  0.00  0.00    -0.269 OA
ATOM      7  C   LIG    1        0.178  -1.328  -1.859  0.00  0.00    +0.253 C 
ATOM      8  O   LIG    1        0.125  -1.865  -2.964  0.00  0.00    -0.270 OA
ATOM      9  O   LIG    1       -0.636   1.387  -1.073  0.00  0.00    -0.269 OA
ATOM     10  C   LIG    1       -3.158  -0.943  -0.718  0.00  0.00    +0.052 A 
ATOM     11  C   LIG    1       -4.468  -1.299  -0.467  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1       -5.381  -0.261  -0.278  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -4.963   1.086  -0.337  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1  14
ATOM     14  N   LIG    1       -3.256   2.762  -0.744  0.00  0.00    -0.357 N 
ATOM     15  H   LIG    1       -2.250   2.937  -0.693  0.00  0.00    +0.142 HD
ATOM     16  H   LIG    1       -3.806   3.452  -0.242  0.00  0.00    +0.142 HD
ENDBRANCH   1  14
BRANCH   7  17
ATOM     17  C   LIG    1        1.507  -0.911  -1.331  0.00  0.00    +0.069 C 
ATOM     18  C   LIG    1        1.759  -0.646  -0.040  0.00  0.00    +0.013 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.087  -0.255   0.447  0.00  0.00    -0.024 A 
ATOM     20  C   LIG    1        4.248  -0.943   0.070  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1        5.487  -0.553   0.579  0.00  0.00    +0.018 A 
ATOM     22 BR   LIG    1        7.048  -1.486   0.060  0.00  0.00    -0.050 Br
ATOM     23  C   LIG    1        5.586   0.514   1.469  0.00  0.00    +0.015 A 
ATOM     24  C   LIG    1        4.434   1.196   1.858  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        3.190   0.809   1.353  0.00  0.00    +0.008 A 
ENDBRANCH  18  19
ENDBRANCH   7  17
TORSDOF 3