REMARK  Name = BDB062095
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.643  -1.028   0.908  0.00  0.00    +0.097 A 
ATOM      2  C   LIG    1       -1.299  -0.024  -0.022  0.00  0.00    +0.101 A 
ATOM      3  N   LIG    1        0.003   0.283  -0.293  0.00  0.00    -0.209 NA
ATOM      4  C   LIG    1        0.937  -0.446   0.352  0.00  0.00    +0.234 A 
ATOM      5  C   LIG    1        0.601  -1.450   1.242  0.00  0.00    +0.178 A 
ATOM      6  N   LIG    1       -0.683  -1.764   1.538  0.00  0.00    -0.248 NA
ENDROOT
BRANCH   1  12
ATOM      7 BR   LIG    1       -7.406  -2.627   2.541  0.00  0.00    -0.049 Br
ATOM      8  C   LIG    1       -5.655  -2.065   2.069  0.00  0.00    +0.032 A 
ATOM      9  C   LIG    1       -5.236  -0.734   2.130  0.00  0.00    +0.032 A 
ATOM     10 BR   LIG    1       -6.366   0.685   2.692  0.00  0.00    -0.049 Br
ATOM     11  C   LIG    1       -3.926  -0.396   1.762  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1       -3.019  -1.371   1.312  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -3.456  -2.706   1.277  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1       -4.760  -3.050   1.647  0.00  0.00    +0.017 A 
ENDBRANCH   1  12
BRANCH   2  15
ATOM     15  C   LIG    1       -2.265   0.771  -0.801  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -2.200   2.176  -0.788  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1       -3.110   2.954  -1.516  0.00  0.00    +0.032 A 
ATOM     18 BR   LIG    1       -2.921   4.840  -1.401  0.00  0.00    -0.049 Br
ATOM     19  C   LIG    1       -4.100   2.332  -2.280  0.00  0.00    +0.032 A 
ATOM     20 BR   LIG    1       -5.384   3.291  -3.298  0.00  0.00    -0.049 Br
ATOM     21  C   LIG    1       -4.168   0.937  -2.318  0.00  0.00    +0.017 A 
ATOM     22  C   LIG    1       -3.256   0.166  -1.591  0.00  0.00    +0.011 A 
ENDBRANCH   2  15
BRANCH   4  23
ATOM     23  O   LIG    1        2.276  -0.211   0.135  0.00  0.00    -0.475 OA
BRANCH  23  24
ATOM     24  C   LIG    1        2.531   0.836  -0.797  0.00  0.00    +0.234 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.045   1.052  -0.997  0.00  0.00    +0.029 C 
ATOM     26  C   LIG    1        4.761   1.499   0.288  0.00  0.00    +0.022 C 
ATOM     27  C   LIG    1        5.120   0.348   1.228  0.00  0.00    +0.081 C 
ATOM     28  N   LIG    1        5.876  -0.699   0.541  0.00  0.00    -0.316 NA
ATOM     29  H   LIG    1        6.745  -0.302   0.184  0.00  0.00    +0.122 HD
ATOM     30  C   LIG    1        5.109  -1.248  -0.576  0.00  0.00    +0.081 C 
ATOM     31  C   LIG    1        4.749  -0.174  -1.602  0.00  0.00    +0.022 C 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 5