REMARK  Name = BDB047032
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.390  -1.868   0.896  0.00  0.00    +0.093 C 
ATOM      2  C   LIG    1       -0.126  -0.815  -0.115  0.00  0.00    +0.128 C 
ATOM      3  N   LIG    1       -1.552  -1.120  -0.274  0.00  0.00    -0.313 N 
ATOM      4  C   LIG    1       -1.963  -2.159   0.664  0.00  0.00    +0.108 C 
ATOM      5  C   LIG    1       -0.681  -2.954   0.875  0.00  0.00    +0.043 C 
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1        3.954  -2.218   0.315  0.00  0.00    -0.269 N 
ATOM      7  H   LIG    1        3.889  -3.224   0.353  0.00  0.00    +0.156 HD
ATOM      8  C   LIG    1        2.804  -1.552   0.670  0.00  0.00    +0.304 C 
ATOM      9  N   LIG    1        1.712  -2.397   0.594  0.00  0.00    -0.295 N 
ATOM     10  H   LIG    1        1.761  -3.064  -0.163  0.00  0.00    +0.151 HD
ATOM     11  O   LIG    1        2.702  -0.384   1.016  0.00  0.00    -0.253 OA
BRANCH   6  14
ATOM     12  C   LIG    1        6.814   0.173  -0.073  0.00  0.00    +0.061 A 
ATOM     13  C   LIG    1        5.503  -0.299   0.102  0.00  0.00    +0.038 A 
ATOM     14  C   LIG    1        5.243  -1.671   0.156  0.00  0.00    +0.036 A 
ATOM     15  C   LIG    1        6.307  -2.571   0.018  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        7.614  -2.110  -0.154  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1        7.869  -0.741  -0.198  0.00  0.00    +0.015 A 
BRANCH  12  18
ATOM     18  C   LIG    1        7.032   1.645  -0.136  0.00  0.00    +0.339 C 
ATOM     19  O   LIG    1        6.129   2.464  -0.184  0.00  0.00    -0.245 OA
BRANCH  18  21
ATOM     20  C   LIG    1        8.649   3.328  -0.174  0.00  0.00    +0.280 C 
ATOM     21  O   LIG    1        8.359   1.931  -0.128  0.00  0.00    -0.464 OA
ENDBRANCH  18  21
ENDBRANCH  12  18
ENDBRANCH   6  14
ENDBRANCH   1   9
BRANCH   3  22
ATOM     22  C   LIG    1       -2.466  -0.135  -0.601  0.00  0.00    +0.126 A 
ATOM     23  N   LIG    1       -3.739  -0.279  -0.182  0.00  0.00    -0.199 NA
ATOM     24  C   LIG    1       -4.647   0.657  -0.508  0.00  0.00    +0.221 A 
ATOM     25  N   LIG    1       -4.359   1.738  -1.241  0.00  0.00    -0.223 NA
ATOM     26  C   LIG    1       -3.094   1.859  -1.664  0.00  0.00    +0.118 A 
ATOM     27  C   LIG    1       -2.108   0.948  -1.376  0.00  0.00    +0.063 A 
BRANCH  24  28
ATOM     28  N   LIG    1       -5.929   0.415  -0.019  0.00  0.00    -0.284 N 
ATOM     29  H   LIG    1       -5.914  -0.453   0.494  0.00  0.00    +0.155 HD
BRANCH  28  30
ATOM     30  C   LIG    1       -7.150   1.091  -0.104  0.00  0.00    +0.034 A 
ATOM     31  C   LIG    1       -8.273   0.525   0.527  0.00  0.00    +0.026 A 
ATOM     32  C   LIG    1       -9.524   1.147   0.483  0.00  0.00    +0.040 A 
ATOM     33  C   LIG    1       -9.662   2.348  -0.197  0.00  0.00    +0.124 A 
ATOM     34  F   LIG    1      -10.859   2.949  -0.243  0.00  0.00    -0.205 F 
ATOM     35  C   LIG    1       -8.575   2.933  -0.829  0.00  0.00    +0.040 A 
ATOM     36  C   LIG    1       -7.326   2.304  -0.780  0.00  0.00    +0.026 A 
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH   3  22
TORSDOF 7