REMARK  Name = BDB007789
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.470  -3.052   0.205  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1        2.864  -1.939  -0.130  0.00  0.00    +0.280 C 
ATOM      3  N   LIG    1        2.199  -1.113  -1.008  0.00  0.00    -0.306 N 
ATOM      4  H   LIG    1        2.616  -0.195  -1.135  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        4.104  -1.367   0.357  0.00  0.00    +0.195 A 
ATOM      6  N   LIG    1        4.938  -1.994   1.248  0.00  0.00    -0.334 N 
ATOM      7  H   LIG    1        4.765  -2.907   1.644  0.00  0.00    +0.168 HD
ATOM      8  C   LIG    1        6.007  -1.171   1.489  0.00  0.00    +0.067 A 
ATOM      9  C   LIG    1        5.758  -0.047   0.708  0.00  0.00    +0.091 A 
ATOM     10  C   LIG    1        6.672   1.015   0.717  0.00  0.00    +0.045 A 
ATOM     11  C   LIG    1        7.809   0.897   1.523  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        8.039  -0.241   2.301  0.00  0.00    +0.017 A 
ATOM     13 BR   LIG    1        9.064   2.314   1.560  0.00  0.00    -0.050 Br
ATOM     14  C   LIG    1        7.134  -1.309   2.300  0.00  0.00    +0.029 A 
ATOM     15  N   LIG    1        4.579  -0.180   0.013  0.00  0.00    -0.223 NA
ENDBRANCH   2   5
BRANCH   3  16
ATOM     16  C   LIG    1        0.832  -1.353  -1.428  0.00  0.00    +0.137 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -0.174  -0.491  -0.641  0.00  0.00    +0.145 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -0.117  -0.843   0.743  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1       -0.555  -0.113   1.215  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1       -1.598  -0.692  -1.212  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -2.621   0.162  -0.572  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1       -3.710   0.467  -1.515  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -4.799   1.287  -0.867  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1       -5.269   0.868   0.388  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1       -6.317   1.549   1.010  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -6.885   2.661   0.388  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -6.417   3.084  -0.858  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -4.631  -0.357   0.978  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1       -5.380   2.396  -1.489  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -3.110  -0.391   0.713  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 6