REMARK  Name = BDB011558
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.967  -0.823   0.218  0.00  0.00    +0.197 C 
ATOM      2  C   LIG    1        0.925   0.303   0.353  0.00  0.00    +0.244 C 
ATOM      3  O   LIG    1        1.255   1.420   0.765  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.381   0.005  -0.061  0.00  0.00    -0.262 N 
ATOM      5  C   LIG    1       -0.778  -1.328  -0.411  0.00  0.00    +0.080 A 
ATOM      6  C   LIG    1       -0.344  -2.433   0.351  0.00  0.00    +0.156 A 
ATOM      7  C   LIG    1       -0.760  -3.731   0.031  0.00  0.00    +0.061 A 
ATOM      8  C   LIG    1       -1.588  -3.950  -1.069  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -2.020  -2.868  -1.833  0.00  0.00    +0.003 A 
ATOM     10 BR   LIG    1       -0.232  -5.230   1.070  0.00  0.00    -0.046 Br
ATOM     11  O   LIG    1        0.356  -2.229   1.514  0.00  0.00    -0.487 OA
ATOM     12  C   LIG    1       -1.622  -1.569  -1.504  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        1.724  -1.886   1.283  0.00  0.00    +0.261 C 
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1        4.004   0.176  -0.780  0.00  0.00    +0.230 C 
ATOM     15  N   LIG    1        3.312  -0.262   0.332  0.00  0.00    -0.300 N 
ATOM     16  H   LIG    1        3.546   0.257   1.177  0.00  0.00    +0.150 HD
ATOM     17  O   LIG    1        3.667  -0.102  -1.928  0.00  0.00    -0.274 OA
BRANCH  14  18
ATOM     18  C   LIG    1        5.203   1.099  -0.436  0.00  0.00    +0.137 C 
ATOM     19  C   LIG    1        6.272   0.992  -1.524  0.00  0.00    +0.034 C 
BRANCH  18  21
ATOM     20  C   LIG    1        6.617   1.759   1.450  0.00  0.00    +0.101 C 
ATOM     21  N   LIG    1        5.714   0.750   0.915  0.00  0.00    -0.309 NA
ATOM     22  H   LIG    1        6.199  -0.147   0.859  0.00  0.00    +0.122 HD
ENDBRANCH  18  21
ENDBRANCH  14  18
ENDBRANCH   1  15
BRANCH   4  23
ATOM     23  C   LIG    1       -1.292   1.139  -0.285  0.00  0.00    +0.149 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.709   0.971   0.262  0.00  0.00    -0.019 A 
ATOM     25  C   LIG    1       -3.857   1.086  -0.599  0.00  0.00    -0.013 A 
ATOM     26  C   LIG    1       -5.145   0.843  -0.055  0.00  0.00    -0.018 A 
ATOM     27  C   LIG    1       -6.294   0.917  -0.861  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1       -6.208   1.247  -2.210  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -4.967   1.513  -2.767  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -5.289   0.533   1.299  0.00  0.00    +0.009 A 
ATOM     31  C   LIG    1       -4.184   0.485   2.141  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -3.816   1.437  -1.976  0.00  0.00    +0.009 A 
ATOM     33  C   LIG    1       -2.897   0.725   1.650  0.00  0.00    -0.045 A 
ATOM     34  C   LIG    1       -1.759   0.676   2.638  0.00  0.00    +0.044 C 
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 5