REMARK  Name = BDB011551
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.591  -0.765  -1.711  0.00  0.00    +0.197 C 
ATOM      2  C   LIG    1       -0.489   0.221  -1.368  0.00  0.00    +0.244 C 
ATOM      3  O   LIG    1       -0.784   1.297  -0.828  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1        0.820  -0.110  -1.716  0.00  0.00    -0.262 N 
ATOM      5  C   LIG    1        1.235  -1.281  -2.461  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1        0.434  -2.031  -3.350  0.00  0.00    +0.142 A 
ATOM      7  C   LIG    1        0.973  -3.154  -4.015  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        2.288  -3.560  -3.829  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1        3.090  -2.844  -2.962  0.00  0.00    +0.002 A 
ATOM     10  O   LIG    1       -0.864  -1.856  -3.741  0.00  0.00    -0.488 OA
ATOM     11  C   LIG    1        2.569  -1.730  -2.295  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -1.618  -0.776  -3.224  0.00  0.00    +0.261 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1       -3.300  -0.756   0.074  0.00  0.00    +0.231 C 
ATOM     14  N   LIG    1       -2.846  -0.261  -1.135  0.00  0.00    -0.300 N 
ATOM     15  H   LIG    1       -3.004   0.728  -1.294  0.00  0.00    +0.150 HD
ATOM     16  O   LIG    1       -2.876  -1.806   0.553  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1       -4.444   0.077   0.726  0.00  0.00    +0.140 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -5.100  -0.696   1.812  0.00  0.00    -0.309 NA
ATOM     19  H   LIG    1       -5.187  -1.660   1.478  0.00  0.00    +0.122 HD
ATOM     20  C   LIG    1       -4.344  -0.736   3.061  0.00  0.00    +0.101 C 
ENDBRANCH  17  18
BRANCH  17  22
ATOM     21  C   LIG    1       -5.125   2.384   1.590  0.00  0.00    +0.006 C 
ATOM     22  C   LIG    1       -3.983   1.493   1.118  0.00  0.00    +0.025 C 
ENDBRANCH  17  22
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  23
ATOM     23  C   LIG    1        1.839   0.827  -1.224  0.00  0.00    +0.153 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.355   0.698   0.216  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        3.309   1.681   0.664  0.00  0.00    -0.010 A 
ATOM     26  C   LIG    1        3.805   1.613   1.992  0.00  0.00    -0.016 A 
ATOM     27  C   LIG    1        4.737   2.554   2.463  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1        5.194   3.574   1.636  0.00  0.00    +0.018 A 
ATOM     29  C   LIG    1        4.731   3.672   0.334  0.00  0.00    +0.016 A 
ATOM     30 BR   LIG    1        6.447   4.828   2.289  0.00  0.00    -0.050 Br
ATOM     31  C   LIG    1        3.367   0.601   2.845  0.00  0.00    +0.012 A 
ATOM     32  C   LIG    1        2.448  -0.351   2.413  0.00  0.00    +0.046 A 
ATOM     33  C   LIG    1        3.804   2.740  -0.141  0.00  0.00    +0.010 A 
ATOM     34  C   LIG    1        1.936  -0.315   1.114  0.00  0.00    +0.125 A 
BRANCH  34  35
ATOM     35  O   LIG    1        1.061  -1.259   0.651  0.00  0.00    -0.495 OA
ATOM     36  C   LIG    1        0.394  -2.090   1.594  0.00  0.00    +0.277 C 
ENDBRANCH  34  35
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 7