REMARK  Name = BDB008562
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.482  -2.293  -0.879  0.00  0.00    +0.135 A 
ATOM      2  C   LIG    1        2.416  -3.706  -0.891  0.00  0.00    +0.060 A 
ATOM      3 BR   LIG    1        3.978  -4.767  -0.652  0.00  0.00    -0.047 Br
ATOM      4  C   LIG    1        1.205  -4.382  -1.087  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        0.055  -3.632  -1.250  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1       -1.335  -4.121  -1.516  0.00  0.00    +0.037 C 
ATOM      7  C   LIG    1       -2.175  -2.879  -1.178  0.00  0.00    +0.032 C 
ATOM      8  C   LIG    1       -1.270  -1.659  -1.468  0.00  0.00    +0.107 C 
ATOM      9  C   LIG    1        0.103  -2.235  -1.229  0.00  0.00    -0.020 A 
ATOM     10  C   LIG    1        1.306  -1.558  -1.061  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   8  11
ATOM     11  N   LIG    1       -1.579  -0.436  -0.716  0.00  0.00    -0.289 N 
ATOM     12  C   LIG    1       -1.511   0.770  -1.426  0.00  0.00    +0.246 C 
ATOM     13  O   LIG    1       -1.062   0.818  -2.580  0.00  0.00    -0.273 OA
BRANCH  12  14
ATOM     14  C   LIG    1       -2.104   2.066  -0.822  0.00  0.00    +0.217 C 
ATOM     15  O   LIG    1       -1.706   2.390   0.507  0.00  0.00    -0.365 OA
ATOM     16  C   LIG    1       -2.298   3.617   0.948  0.00  0.00    +0.176 C 
ATOM     17  C   LIG    1       -3.830   3.552   0.875  0.00  0.00    +0.109 C 
ATOM     18  N   LIG    1       -4.309   3.251  -0.487  0.00  0.00    -0.311 NA
ATOM     19  H   LIG    1       -4.036   4.018  -1.103  0.00  0.00    +0.122 HD
ATOM     20  C   LIG    1       -3.643   2.016  -0.957  0.00  0.00    +0.122 C 
ENDBRANCH  12  14
BRANCH  11  21
ATOM     21  C   LIG    1       -1.924  -0.515   0.690  0.00  0.00    +0.077 C 
ATOM     22  C   LIG    1       -1.286  -1.463   1.683  0.00  0.00    +0.024 C 
ATOM     23  C   LIG    1       -0.974  -0.008   1.752  0.00  0.00    +0.024 C 
ENDBRANCH  11  21
ENDBRANCH   8  11
BRANCH   1  24
ATOM     24  O   LIG    1        3.720  -1.740  -0.679  0.00  0.00    -0.491 OA
BRANCH  24  25
ATOM     25  C   LIG    1        3.875  -0.323  -0.741  0.00  0.00    +0.231 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.603   0.311   0.619  0.00  0.00    +0.069 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.822   1.818   0.581  0.00  0.00    +0.163 C 
BRANCH  27  29
ATOM     28  C   LIG    1        4.388   2.273   2.848  0.00  0.00    +0.193 C 
ATOM     29  O   LIG    1        3.435   2.438   1.807  0.00  0.00    -0.383 OA
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 8