REMARK  Name = BDB062487
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.426   1.336  -3.065  0.00  0.00    -0.297 N 
ATOM      2  H   LIG    1       -0.126   1.555  -4.009  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   5
ATOM      3  C   LIG    1       -2.889  -1.218  -2.234  0.00  0.00    +0.220 A 
ATOM      4  N   LIG    1       -1.775  -0.463  -2.176  0.00  0.00    -0.196 NA
ATOM      5  C   LIG    1       -1.569   0.492  -3.104  0.00  0.00    +0.164 A 
ATOM      6  C   LIG    1       -2.496   0.709  -4.106  0.00  0.00    +0.181 A 
ATOM      7  F   LIG    1       -2.320   1.650  -5.044  0.00  0.00    -0.200 F 
ATOM      8  C   LIG    1       -3.601  -0.097  -4.112  0.00  0.00    +0.156 A 
ATOM      9  N   LIG    1       -3.812  -1.062  -3.199  0.00  0.00    -0.220 NA
BRANCH   3  17
ATOM     10  C   LIG    1       -2.069  -2.689   2.392  0.00  0.00    +0.025 C 
ATOM     11  C   LIG    1       -2.873  -2.896   1.110  0.00  0.00    +0.068 C 
ATOM     12  N   LIG    1       -4.298  -2.623   1.402  0.00  0.00    -0.308 NA
ATOM     13  H   LIG    1       -4.672  -3.394   1.952  0.00  0.00    +0.123 HD
ATOM     14  C   LIG    1       -5.101  -2.452   0.169  0.00  0.00    +0.068 C 
ATOM     15  C   LIG    1       -5.615  -1.010   0.126  0.00  0.00    +0.025 C 
ATOM     16  C   LIG    1       -4.385  -2.837  -1.156  0.00  0.00    +0.126 C 
ATOM     17  N   LIG    1       -3.070  -2.202  -1.277  0.00  0.00    -0.297 N 
ATOM     18  C   LIG    1       -2.312  -2.009  -0.032  0.00  0.00    +0.126 C 
ENDBRANCH   3  17
ENDBRANCH   1   5
BRANCH   1  19
ATOM     19  C   LIG    1        0.626   1.397  -2.130  0.00  0.00    +0.033 A 
ATOM     20  C   LIG    1        1.829   2.013  -2.506  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        2.895   2.135  -1.606  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1        2.780   1.658  -0.298  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1        1.578   1.078   0.097  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1        0.511   0.963  -0.808  0.00  0.00    +0.025 A 
BRANCH  22  25
ATOM     25  N   LIG    1        3.895   1.806   0.543  0.00  0.00    -0.280 N 
ATOM     26  H   LIG    1        4.718   2.265   0.159  0.00  0.00    +0.155 HD
ATOM     27  C   LIG    1        4.040   1.394   1.855  0.00  0.00    +0.267 C 
ATOM     28  O   LIG    1        3.216   0.811   2.548  0.00  0.00    -0.268 OA
BRANCH  27  29
ATOM     29  C   LIG    1        5.389   1.727   2.422  0.00  0.00    +0.127 A 
ATOM     30  N   LIG    1        6.237   2.393   1.589  0.00  0.00    -0.235 NA
ATOM     31  C   LIG    1        7.453   2.694   2.093  0.00  0.00    +0.107 A 
ATOM     32 BR   LIG    1        8.659   3.623   0.962  0.00  0.00    -0.029 Br
ATOM     33  C   LIG    1        7.864   2.360   3.378  0.00  0.00    +0.035 A 
ATOM     34  C   LIG    1        6.975   1.676   4.203  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1        5.711   1.353   3.721  0.00  0.00    +0.033 A 
ENDBRANCH  27  29
ENDBRANCH  22  25
ENDBRANCH   1  19
TORSDOF 5