REMARK  Name = BDB022033
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.212  -1.429   1.331  0.00  0.00    +0.078 C 
ATOM      2  C   LIG    1        0.634  -0.162   2.091  0.00  0.00    +0.032 C 
ATOM      3  C   LIG    1        1.343   0.856   1.205  0.00  0.00    +0.109 C 
ATOM      4  N   LIG    1        2.481   0.277   0.500  0.00  0.00    -0.295 N 
ATOM      5  C   LIG    1        3.531   1.135   0.133  0.00  0.00    +0.282 C 
ATOM      6  O   LIG    1        3.390   2.356   0.252  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1        2.385  -1.123   0.086  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1        0.939  -1.597  -0.007  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        4.773   0.581  -0.385  0.00  0.00    +0.189 A 
ATOM     10  O   LIG    1        5.109  -0.734  -0.187  0.00  0.00    -0.458 OA
ATOM     11  C   LIG    1        6.330  -0.933  -0.747  0.00  0.00    +0.196 A 
ATOM     12  C   LIG    1        6.805   0.233  -1.295  0.00  0.00    +0.042 A 
ATOM     13  C   LIG    1        5.811   1.211  -1.053  0.00  0.00    +0.054 A 
ENDBRANCH   5   9
BRANCH   1  16
ATOM     14  N   LIG    1       -1.855  -0.481   0.423  0.00  0.00    -0.285 N 
ATOM     15  H   LIG    1       -1.218   0.211   0.053  0.00  0.00    +0.155 HD
ATOM     16  C   LIG    1       -1.305  -1.517   1.156  0.00  0.00    +0.220 C 
ATOM     17  O   LIG    1       -1.919  -2.460   1.646  0.00  0.00    -0.275 OA
BRANCH  14  24
ATOM     18  C   LIG    1       -5.124   2.362  -1.883  0.00  0.00    +0.045 C 
ATOM     19  C   LIG    1       -4.851   1.143  -1.047  0.00  0.00    -0.035 A 
ATOM     20  C   LIG    1       -5.872   0.282  -0.620  0.00  0.00    +0.021 A 
ATOM     21 BR   LIG    1       -7.694   0.582  -1.063  0.00  0.00    -0.050 Br
ATOM     22  C   LIG    1       -5.570  -0.838   0.156  0.00  0.00    +0.017 A 
ATOM     23  C   LIG    1       -4.248  -1.116   0.516  0.00  0.00    +0.024 A 
ATOM     24  C   LIG    1       -3.215  -0.278   0.105  0.00  0.00    +0.034 A 
ATOM     25  C   LIG    1       -3.526   0.847  -0.674  0.00  0.00    +0.027 A 
ENDBRANCH  14  24
ENDBRANCH   1  16
TORSDOF 3