REMARK  Name = BDB054235
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.926   0.385  -0.263  0.00  0.00    -0.287 N 
ATOM      2  C   LIG    1        3.086  -0.077   0.299  0.00  0.00    +0.149 A 
ATOM      3  C   LIG    1        4.262   0.820   0.330  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        5.282   0.036   0.959  0.00  0.00    +0.083 A 
ATOM      5  C   LIG    1        4.685  -1.135   1.248  0.00  0.00    +0.121 A 
ATOM      6 BR   LIG    1        5.399  -2.588   2.147  0.00  0.00    -0.028 Br
ATOM      7  C   LIG    1        4.131   2.050  -0.206  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        2.923   2.497  -0.723  0.00  0.00    -0.222 NA
ATOM      9  N   LIG    1        3.353  -1.230   0.855  0.00  0.00    -0.221 NA
ATOM     10  C   LIG    1        1.915   1.674  -0.738  0.00  0.00    +0.205 A 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -1.518  -0.058  -0.637  0.00  0.00    +0.189 C 
ATOM     12  C   LIG    1       -1.375  -0.862   0.661  0.00  0.00    +0.179 C 
ATOM     13  C   LIG    1        0.025  -0.463   1.091  0.00  0.00    +0.195 C 
ATOM     14  C   LIG    1        0.750  -0.470  -0.270  0.00  0.00    +0.253 C 
ATOM     15  O   LIG    1       -0.216  -0.065  -1.267  0.00  0.00    -0.345 OA
BRANCH  12  16
ATOM     16  O   LIG    1       -1.394  -2.272   0.440  0.00  0.00    -0.386 OA
ATOM     17  H   LIG    1       -2.337  -2.537   0.339  0.00  0.00    +0.210 HD
ENDBRANCH  12  16
BRANCH  13  18
ATOM     18  O   LIG    1       -0.033   0.840   1.693  0.00  0.00    -0.385 OA
ATOM     19  H   LIG    1        0.881   1.081   1.933  0.00  0.00    +0.210 HD
ENDBRANCH  13  18
BRANCH  11  20
ATOM     20  C   LIG    1       -2.569  -0.552  -1.629  0.00  0.00    +0.266 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -3.904  -0.249  -1.186  0.00  0.00    -0.462 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -4.534  -1.200  -0.448  0.00  0.00    +0.310 C 
ATOM     23  O   LIG    1       -4.014  -2.243  -0.072  0.00  0.00    -0.251 OA
BRANCH  22  25
ATOM     24  C   LIG    1       -5.905   0.314   0.975  0.00  0.00    +0.019 C 
ATOM     25  C   LIG    1       -5.944  -0.783  -0.082  0.00  0.00    +0.092 C 
ATOM     26  C   LIG    1       -6.740  -0.357  -1.311  0.00  0.00    +0.019 C 
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  11  20
ENDBRANCH   1  14
BRANCH   4  27
ATOM     27  C   LIG    1        6.634   0.511   1.282  0.00  0.00    +0.245 C 
ATOM     28  O   LIG    1        6.856   1.677   1.592  0.00  0.00    -0.270 OA
ATOM     29  N   LIG    1        7.642  -0.393   1.186  0.00  0.00    -0.325 N 
ATOM     30  H   LIG    1        8.582  -0.077   1.386  0.00  0.00    +0.145 HD
ATOM     31  H   LIG    1        7.507  -1.359   0.918  0.00  0.00    +0.145 HD
ENDBRANCH   4  27
BRANCH   7  32
ATOM     32  N   LIG    1        5.189   2.931  -0.252  0.00  0.00    -0.343 N 
ATOM     33  H   LIG    1        4.841   3.884  -0.290  0.00  0.00    +0.144 HD
ATOM     34  H   LIG    1        5.871   2.796   0.501  0.00  0.00    +0.144 HD
ENDBRANCH   7  32
TORSDOF 9