REMARK  Name = BDB055633
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.625  -0.951  -0.080  0.00  0.00    +0.060 A 
ATOM      2  C   LIG    1       -2.631   0.018   0.110  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1       -1.319  -0.406   0.013  0.00  0.00    +0.045 A 
ATOM      4  C   LIG    1       -0.069   0.361   0.167  0.00  0.00    +0.210 C 
ATOM      5  C   LIG    1        1.047  -0.640  -0.069  0.00  0.00    +0.092 C 
ATOM      6  N   LIG    1        0.425  -1.871  -0.251  0.00  0.00    -0.310 N 
ATOM      7  H   LIG    1        0.949  -2.666  -0.606  0.00  0.00    +0.152 HD
ATOM      8  C   LIG    1        2.364  -0.381  -0.120  0.00  0.00    +0.071 C 
ATOM      9  C   LIG    1        3.205   0.815   0.045  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        4.529   0.385  -0.143  0.00  0.00    +0.056 A 
ATOM     11  C   LIG    1        5.613   1.245  -0.060  0.00  0.00    +0.040 A 
ATOM     12  C   LIG    1        5.367   2.587   0.222  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1        4.051   3.034   0.414  0.00  0.00    +0.002 A 
ATOM     14 BR   LIG    1        7.383   0.641  -0.319  0.00  0.00    -0.048 Br
ATOM     15  N   LIG    1        4.564  -0.983  -0.413  0.00  0.00    -0.280 N 
ATOM     16  H   LIG    1        5.402  -1.517  -0.591  0.00  0.00    +0.155 HD
ATOM     17  C   LIG    1        2.966   2.149   0.327  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1        3.297  -1.528  -0.427  0.00  0.00    +0.251 C 
ATOM     19  O   LIG    1        3.001  -2.687  -0.656  0.00  0.00    -0.270 OA
ATOM     20  O   LIG    1       -0.019   1.545   0.421  0.00  0.00    -0.285 OA
ATOM     21  C   LIG    1       -0.952  -1.724  -0.271  0.00  0.00    +0.042 A 
ATOM     22  C   LIG    1       -1.921  -2.688  -0.436  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1       -3.264  -2.295  -0.348  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   1  24
ATOM     24  C   LIG    1       -5.075  -0.623  -0.001  0.00  0.00    +0.339 C 
ATOM     25  O   LIG    1       -5.961  -1.448  -0.158  0.00  0.00    -0.245 OA
BRANCH  24  27
ATOM     26  C   LIG    1       -6.623   1.090   0.352  0.00  0.00    +0.280 C 
ATOM     27  O   LIG    1       -5.253   0.695   0.261  0.00  0.00    -0.464 OA
ENDBRANCH  24  27
ENDBRANCH   1  24
TORSDOF 2