REMARK  Name = BDB008604
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.740  -2.257   0.613  0.00  0.00    +0.135 A 
ATOM      2  C   LIG    1        1.634  -3.653   0.620  0.00  0.00    +0.060 A 
ATOM      3 BR   LIG    1        2.842  -4.737   1.611  0.00  0.00    -0.047 Br
ATOM      4  C   LIG    1        0.635  -4.298  -0.114  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -0.285  -3.559  -0.870  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1       -1.335  -4.292  -1.666  0.00  0.00    +0.035 C 
ATOM      7  C   LIG    1       -1.857  -3.456  -2.830  0.00  0.00    +0.007 C 
ATOM      8  C   LIG    1       -2.347  -2.106  -2.326  0.00  0.00    +0.027 C 
ATOM      9  C   LIG    1       -1.220  -1.306  -1.642  0.00  0.00    +0.107 C 
ATOM     10  C   LIG    1       -0.229  -2.155  -0.846  0.00  0.00    -0.020 A 
ATOM     11  C   LIG    1        0.812  -1.522  -0.131  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   9  12
ATOM     12  N   LIG    1       -1.790  -0.165  -0.885  0.00  0.00    -0.289 N 
ATOM     13  C   LIG    1       -2.051   1.008  -1.610  0.00  0.00    +0.246 C 
ATOM     14  O   LIG    1       -1.873   1.065  -2.831  0.00  0.00    -0.273 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -2.507   2.259  -0.823  0.00  0.00    +0.217 C 
ATOM     16  O   LIG    1       -3.269   3.164  -1.645  0.00  0.00    -0.365 OA
ATOM     17  C   LIG    1       -2.463   4.212  -2.188  0.00  0.00    +0.176 C 
ATOM     18  C   LIG    1       -1.887   5.087  -1.060  0.00  0.00    +0.109 C 
ATOM     19  N   LIG    1       -1.476   4.345   0.150  0.00  0.00    -0.311 NA
ATOM     20  H   LIG    1       -2.259   4.385   0.805  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -1.258   2.930  -0.198  0.00  0.00    +0.122 C 
ENDBRANCH  13  15
BRANCH  12  22
ATOM     22  C   LIG    1       -2.116  -0.320   0.519  0.00  0.00    +0.077 C 
ATOM     23  C   LIG    1       -2.684  -1.573   1.138  0.00  0.00    +0.024 C 
ATOM     24  C   LIG    1       -3.553  -0.368   0.982  0.00  0.00    +0.024 C 
ENDBRANCH  12  22
ENDBRANCH   9  12
BRANCH   1  25
ATOM     25  O   LIG    1        2.759  -1.708   1.345  0.00  0.00    -0.491 OA
BRANCH  25  26
ATOM     26  C   LIG    1        2.877  -0.286   1.372  0.00  0.00    +0.231 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.063   0.065   2.263  0.00  0.00    +0.069 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.278   1.571   2.336  0.00  0.00    +0.163 C 
BRANCH  28  30
ATOM     29  C   LIG    1        6.614   1.732   2.756  0.00  0.00    +0.193 C 
ATOM     30  O   LIG    1        5.301   1.910   3.270  0.00  0.00    -0.383 OA
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 8