REMARK  Name = BDB055651
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.060  -0.055   0.159  0.00  0.00    +0.060 A 
ATOM      2  C   LIG    1        2.957   0.804   0.235  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        1.707   0.239   0.077  0.00  0.00    +0.045 A 
ATOM      4  C   LIG    1        0.375   0.871   0.097  0.00  0.00    +0.210 C 
ATOM      5  C   LIG    1       -0.615  -0.264  -0.111  0.00  0.00    +0.092 C 
ATOM      6  N   LIG    1        0.158  -1.405  -0.312  0.00  0.00    -0.310 N 
ATOM      7  H   LIG    1       -0.274  -2.325  -0.295  0.00  0.00    +0.152 HD
ATOM      8  C   LIG    1       -1.958  -0.195  -0.080  0.00  0.00    +0.071 C 
ATOM      9  C   LIG    1       -2.957   0.868   0.104  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1       -4.233   0.260   0.030  0.00  0.00    +0.058 A 
ATOM     11  C   LIG    1       -5.390   1.030   0.167  0.00  0.00    +0.040 A 
ATOM     12  C   LIG    1       -5.258   2.409   0.377  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1       -3.997   3.005   0.448  0.00  0.00    +0.002 A 
ATOM     14 BR   LIG    1       -7.165   0.372   0.094  0.00  0.00    -0.048 Br
ATOM     15  N   LIG    1       -4.066  -1.130  -0.187  0.00  0.00    -0.269 N 
ATOM     16  C   LIG    1       -5.111  -2.109  -0.311  0.00  0.00    +0.138 C 
ATOM     17  C   LIG    1       -2.841   2.235   0.310  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1       -2.723  -1.479  -0.256  0.00  0.00    +0.253 C 
ATOM     19  O   LIG    1       -2.243  -2.591  -0.408  0.00  0.00    -0.270 OA
ATOM     20  O   LIG    1        0.186   2.057   0.258  0.00  0.00    -0.285 OA
ATOM     21  C   LIG    1        1.502  -1.126  -0.136  0.00  0.00    +0.042 A 
ATOM     22  C   LIG    1        2.580  -1.978  -0.234  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1        3.866  -1.439  -0.077  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   1  24
ATOM     24  C   LIG    1        5.416   0.537   0.327  0.00  0.00    +0.339 C 
ATOM     25  O   LIG    1        5.610   1.725   0.529  0.00  0.00    -0.245 OA
BRANCH  24  27
ATOM     26  C   LIG    1        7.704   0.078   0.374  0.00  0.00    +0.280 C 
ATOM     27  O   LIG    1        6.373  -0.418   0.224  0.00  0.00    -0.464 OA
ENDBRANCH  24  27
ENDBRANCH   1  24
TORSDOF 2