REMARK  Name = BDB012385
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.228  -1.240   0.428  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1        1.538  -1.360   0.920  0.00  0.00    -0.182 N 
ATOM      3  N   LIG    1        1.578  -2.225   1.980  0.00  0.00    -0.170 NA
ATOM      4  C   LIG    1        0.323  -2.620   2.157  0.00  0.00    +0.138 A 
ATOM      5  C   LIG    1       -0.553  -2.047   1.232  0.00  0.00    +0.088 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1        2.760  -0.733   0.478  0.00  0.00    +0.158 A 
ATOM      7  N   LIG    1        3.908  -1.055   1.145  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1        5.075  -0.509   0.750  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1        5.178   0.392  -0.286  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        4.001   0.740  -0.942  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1        2.779   0.166  -0.579  0.00  0.00    +0.063 A 
BRANCH  10  12
ATOM     12  C   LIG    1        4.014   1.694  -2.071  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        3.351   1.534  -3.080  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        4.795   2.771  -1.847  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        5.125   2.862  -0.933  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   2   6
BRANCH   1  16
ATOM     16  O   LIG    1       -0.072  -0.450  -0.612  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -1.407  -0.516  -1.133  0.00  0.00    +0.266 C 
BRANCH  17  20
ATOM     18  C   LIG    1       -4.305  -1.284  -0.906  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -3.765  -0.037  -0.259  0.00  0.00    -0.043 A 
ATOM     20  C   LIG    1       -2.401   0.322  -0.349  0.00  0.00    -0.007 A 
ATOM     21  C   LIG    1       -1.973   1.521   0.252  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1       -2.859   2.328   0.965  0.00  0.00    +0.015 A 
ATOM     23  C   LIG    1       -4.192   1.952   1.075  0.00  0.00    +0.018 A 
ATOM     24 BR   LIG    1       -5.398   3.038   2.044  0.00  0.00    -0.050 Br
ATOM     25  C   LIG    1       -4.647   0.782   0.469  0.00  0.00    +0.019 A 
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6