REMARK  Name = BDB030914
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.519  -0.411   0.909  0.00  0.00    +0.052 A 
ATOM      2  C   LIG    1       -3.699  -1.510   1.242  0.00  0.00    +0.063 A 
ATOM      3 BR   LIG    1       -4.336  -2.945   2.316  0.00  0.00    -0.046 Br
ATOM      4  C   LIG    1       -2.379  -1.540   0.765  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1       -1.849  -0.522  -0.030  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -0.500  -0.882  -0.337  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -0.239  -2.080   0.299  0.00  0.00    +0.093 A 
ATOM      8  C   LIG    1       -2.672   0.577  -0.342  0.00  0.00    +0.012 A 
ATOM      9  N   LIG    1       -1.377  -2.468   0.951  0.00  0.00    -0.359 N 
ATOM     10  H   LIG    1       -1.476  -3.308   1.506  0.00  0.00    +0.165 HD
ATOM     11  C   LIG    1       -3.995   0.618   0.126  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1        0.499  -0.182  -1.127  0.00  0.00    +0.081 A 
ATOM     13  C   LIG    1        0.362   0.006  -2.490  0.00  0.00    -0.006 A 
ATOM     14  C   LIG    1       -0.795  -0.467  -3.306  0.00  0.00    +0.047 C 
ATOM     15  C   LIG    1        1.395   0.713  -3.065  0.00  0.00    +0.120 A 
ATOM     16  N   LIG    1        2.468   1.167  -2.391  0.00  0.00    -0.223 NA
ATOM     17  C   LIG    1        2.510   0.919  -1.078  0.00  0.00    +0.216 A 
ATOM     18  N   LIG    1        1.564   0.248  -0.418  0.00  0.00    -0.214 NA
BRANCH  17  19
ATOM     19  N   LIG    1        3.626   1.401  -0.420  0.00  0.00    -0.309 N 
ATOM     20  H   LIG    1        4.316   1.610  -1.129  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1        4.093   0.646   0.744  0.00  0.00    +0.087 C 
ATOM     22  C   LIG    1        5.095   1.518   1.542  0.00  0.00    +0.103 C 
ATOM     23  N   LIG    1        6.358   1.770   0.824  0.00  0.00    -0.314 NA
ATOM     24  H   LIG    1        6.140   2.286  -0.028  0.00  0.00    +0.122 HD
ATOM     25  C   LIG    1        7.018   0.510   0.480  0.00  0.00    +0.081 C 
ATOM     26  C   LIG    1        6.128  -0.406  -0.358  0.00  0.00    +0.017 C 
ATOM     27  C   LIG    1        4.781  -0.662   0.321  0.00  0.00    +0.025 C 
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH   6  12
BRANCH   1  29
ATOM     28  C   LIG    1       -6.824   0.533   1.197  0.00  0.00    +0.404 C 
ATOM     29  N   LIG    1       -5.845  -0.396   1.392  0.00  0.00    -0.250 N 
ATOM     30  H   LIG    1       -6.133  -1.179   1.965  0.00  0.00    +0.158 HD
ATOM     31  O   LIG    1       -6.766   1.565   0.548  0.00  0.00    -0.226 OA
BRANCH  28  33
ATOM     32  C   LIG    1       -9.050   1.001   1.752  0.00  0.00    +0.282 C 
ATOM     33  O   LIG    1       -7.934   0.117   1.865  0.00  0.00    -0.453 OA
ENDBRANCH  28  33
ENDBRANCH   1  29
TORSDOF 5