REMARK  Name = BDB031170
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.924  -0.554  -1.315  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -1.210  -1.712  -1.127  0.00  0.00    -0.287 N 
ATOM      3  C   LIG    1       -0.221  -2.026  -0.098  0.00  0.00    +0.144 C 
ATOM      4  C   LIG    1       -0.300  -3.550  -0.031  0.00  0.00    +0.063 C 
ATOM      5  C   LIG    1       -0.536  -3.974  -1.484  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -1.244  -2.772  -2.124  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1       -2.493  -0.318  -2.387  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.138  -1.551  -0.546  0.00  0.00    +0.128 A 
ATOM      9  N   LIG    1        1.574  -0.258  -0.381  0.00  0.00    -0.344 N 
ATOM     10  H   LIG    1        1.046   0.519   0.008  0.00  0.00    +0.167 HD
ATOM     11  C   LIG    1        2.853  -0.174  -0.875  0.00  0.00    +0.040 A 
ATOM     12  C   LIG    1        3.131  -1.436  -1.344  0.00  0.00    +0.134 A 
ATOM     13  N   LIG    1        2.068  -2.274  -1.144  0.00  0.00    -0.239 NA
BRANCH  11  14
ATOM     14  C   LIG    1        3.644   1.085  -0.854  0.00  0.00    +0.090 C 
BRANCH  14  15
ATOM     15  C   LIG    1        4.080   1.476   0.540  0.00  0.00    -0.042 A 
ATOM     16  C   LIG    1        5.162   0.827   1.155  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1        5.554   1.175   2.449  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        4.864   2.170   3.137  0.00  0.00    +0.018 A 
ATOM     19 BR   LIG    1        5.392   2.639   4.890  0.00  0.00    -0.050 Br
ATOM     20  C   LIG    1        3.783   2.819   2.544  0.00  0.00    +0.015 A 
ATOM     21  C   LIG    1        3.391   2.471   1.249  0.00  0.00    +0.005 A 
ENDBRANCH  14  15
ENDBRANCH  11  14
ENDBRANCH   3   8
BRANCH   5  22
ATOM     22  O   LIG    1       -1.348  -5.144  -1.502  0.00  0.00    -0.390 OA
ATOM     23  H   LIG    1       -1.426  -5.425  -2.430  0.00  0.00    +0.210 HD
ENDBRANCH   5  22
BRANCH   1  24
ATOM     24  C   LIG    1       -2.079   0.433  -0.130  0.00  0.00    +0.164 C 
BRANCH  24  27
ATOM     25  C   LIG    1       -0.889   3.724  -1.603  0.00  0.00    +0.109 C 
ATOM     26  C   LIG    1       -0.842   2.477  -0.763  0.00  0.00    +0.211 C 
ATOM     27  N   LIG    1       -2.020   1.773  -0.726  0.00  0.00    -0.304 N 
ATOM     28  H   LIG    1       -2.652   1.912  -1.509  0.00  0.00    +0.149 HD
ATOM     29  O   LIG    1        0.173   2.122  -0.169  0.00  0.00    -0.276 OA
ENDBRANCH  24  27
BRANCH  24  30
ATOM     30  C   LIG    1       -3.395   0.216   0.685  0.00  0.00    -0.011 C 
ATOM     31  C   LIG    1       -3.421  -1.187   1.322  0.00  0.00    +0.013 C 
ATOM     32  C   LIG    1       -3.456   1.250   1.831  0.00  0.00    +0.013 C 
ATOM     33  C   LIG    1       -4.662   0.378  -0.177  0.00  0.00    +0.013 C 
ENDBRANCH  24  30
ENDBRANCH   1  24
TORSDOF 7