REMARK  Name = BDB011554
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.728  -1.238   1.067  0.00  0.00    +0.197 C 
ATOM      2  C   LIG    1        0.574  -0.264   1.223  0.00  0.00    +0.244 C 
ATOM      3  O   LIG    1        0.809   0.951   1.276  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.713  -0.787   1.347  0.00  0.00    -0.262 N 
ATOM      5  C   LIG    1       -1.060  -2.192   1.422  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1       -0.217  -3.236   1.860  0.00  0.00    +0.177 A 
ATOM      7  C   LIG    1       -0.709  -4.561   1.880  0.00  0.00    +0.167 A 
ATOM      8  C   LIG    1       -1.996  -4.891   1.486  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -2.835  -3.885   1.050  0.00  0.00    +0.005 A 
ATOM     10  F   LIG    1        0.087  -5.558   2.303  0.00  0.00    -0.202 F 
ATOM     11  O   LIG    1        1.069  -3.196   2.322  0.00  0.00    -0.485 OA
ATOM     12  C   LIG    1       -2.370  -2.566   1.021  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        1.770  -1.969   2.392  0.00  0.00    +0.261 C 
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1        3.468  -0.361  -0.452  0.00  0.00    +0.230 C 
ATOM     15  N   LIG    1        2.947  -0.453   0.824  0.00  0.00    -0.300 N 
ATOM     16  H   LIG    1        3.006   0.391   1.384  0.00  0.00    +0.150 HD
ATOM     17  O   LIG    1        3.144  -1.133  -1.355  0.00  0.00    -0.274 OA
BRANCH  14  18
ATOM     18  C   LIG    1        4.569   0.719  -0.640  0.00  0.00    +0.137 C 
ATOM     19  C   LIG    1        4.058   2.116  -0.299  0.00  0.00    +0.034 C 
BRANCH  18  21
ATOM     20  C   LIG    1        6.441   0.906  -2.183  0.00  0.00    +0.101 C 
ATOM     21  N   LIG    1        5.005   0.709  -2.055  0.00  0.00    -0.309 NA
ATOM     22  H   LIG    1        4.752  -0.203  -2.451  0.00  0.00    +0.122 HD
ENDBRANCH  18  21
ENDBRANCH  14  18
ENDBRANCH   1  15
BRANCH   4  23
ATOM     23  C   LIG    1       -1.783   0.220   1.371  0.00  0.00    +0.153 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.291   0.815   0.052  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -3.263   1.876   0.137  0.00  0.00    -0.010 A 
ATOM     26  C   LIG    1       -3.751   2.469  -1.056  0.00  0.00    -0.016 A 
ATOM     27  C   LIG    1       -4.698   3.507  -1.011  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -5.179   3.975   0.207  0.00  0.00    +0.018 A 
ATOM     29  C   LIG    1       -4.726   3.419   1.393  0.00  0.00    +0.016 A 
ATOM     30 BR   LIG    1       -6.452   5.370   0.246  0.00  0.00    -0.050 Br
ATOM     31  C   LIG    1       -3.292   2.019  -2.294  0.00  0.00    +0.012 A 
ATOM     32  C   LIG    1       -2.361   0.989  -2.377  0.00  0.00    +0.046 A 
ATOM     33  C   LIG    1       -3.784   2.386   1.355  0.00  0.00    +0.010 A 
ATOM     34  C   LIG    1       -1.852   0.387  -1.224  0.00  0.00    +0.125 A 
BRANCH  34  35
ATOM     35  O   LIG    1       -0.975  -0.661  -1.290  0.00  0.00    -0.495 OA
ATOM     36  C   LIG    1       -0.146  -0.754  -2.446  0.00  0.00    +0.277 C 
ENDBRANCH  34  35
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 6