REMARK  Name = BDB023726
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.808  -0.814  -1.186  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1       -0.859  -1.700  -1.658  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        0.307  -2.249  -0.969  0.00  0.00    +0.145 C 
ATOM      4  C   LIG    1        0.696  -3.471  -1.796  0.00  0.00    +0.063 C 
ATOM      5  C   LIG    1        0.274  -3.099  -3.216  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -0.981  -2.254  -3.000  0.00  0.00    +0.139 C 
ATOM      7  O   LIG    1       -2.760  -0.487  -1.901  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.454  -1.241  -0.932  0.00  0.00    +0.158 C 
ATOM      9  N   LIG    1        2.088  -0.901   0.227  0.00  0.00    -0.286 N 
ATOM     10  H   LIG    1        2.201  -1.556   0.985  0.00  0.00    +0.151 HD
ATOM     11  C   LIG    1        3.201  -0.055  -0.141  0.00  0.00    +0.227 C 
ATOM     12  C   LIG    1        4.510  -0.839  -0.019  0.00  0.00    +0.086 C 
ATOM     13  O   LIG    1        2.994   0.195  -1.554  0.00  0.00    -0.362 OA
ATOM     14  N   LIG    1        1.914  -0.644  -1.999  0.00  0.00    -0.069 NA
BRANCH  11  15
ATOM     15  C   LIG    1        3.120   1.248   0.642  0.00  0.00    +0.016 A 
ATOM     16  C   LIG    1        4.052   1.603   1.634  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1        3.924   2.799   2.349  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        2.858   3.655   2.089  0.00  0.00    +0.018 A 
ATOM     19 BR   LIG    1        2.686   5.265   3.064  0.00  0.00    -0.050 Br
ATOM     20  C   LIG    1        1.920   3.329   1.117  0.00  0.00    +0.016 A 
ATOM     21  C   LIG    1        2.053   2.138   0.400  0.00  0.00    +0.010 A 
ENDBRANCH  11  15
ENDBRANCH   3   8
BRANCH   5  22
ATOM     22  O   LIG    1        0.004  -4.271  -3.971  0.00  0.00    -0.390 OA
ATOM     23  H   LIG    1        0.859  -4.692  -4.168  0.00  0.00    +0.210 HD
ENDBRANCH   5  22
BRANCH   1  24
ATOM     24  C   LIG    1       -1.676  -0.314   0.262  0.00  0.00    +0.146 C 
BRANCH  24  29
ATOM     25  C   LIG    1       -3.580   4.450   0.178  0.00  0.00    +0.069 C 
ATOM     26  C   LIG    1       -2.836   3.193   0.412  0.00  0.00    +0.081 A 
ATOM     27  N   LIG    1       -1.810   3.166   1.271  0.00  0.00    -0.083 NA
ATOM     28  O   LIG    1       -1.339   1.867   1.250  0.00  0.00    -0.359 OA
ATOM     29  C   LIG    1       -2.080   1.121   0.382  0.00  0.00    +0.150 A 
ATOM     30  C   LIG    1       -3.048   1.926  -0.171  0.00  0.00    +0.071 A 
ENDBRANCH  24  29
BRANCH  24  31
ATOM     31  C   LIG    1       -2.419  -1.267   1.234  0.00  0.00    +0.002 C 
ATOM     32  C   LIG    1       -3.947  -1.198   1.136  0.00  0.00    +0.008 C 
ATOM     33  C   LIG    1       -1.982  -1.040   2.686  0.00  0.00    +0.008 C 
ENDBRANCH  24  31
ENDBRANCH   1  24
TORSDOF 6