REMARK  Name = BDB052368
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.798  -1.686  -1.958  0.00  0.00    -0.027 A 
ATOM      2  C   LIG    1       -1.557  -1.294  -1.426  0.00  0.00    +0.050 A 
ATOM      3  C   LIG    1       -0.651  -2.245  -0.956  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1       -0.969  -3.600  -1.059  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -2.187  -4.005  -1.606  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -3.100  -3.051  -2.051  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -3.781  -0.645  -2.440  0.00  0.00    +0.147 C 
BRANCH   7   9
ATOM      8  C   LIG    1       -4.037   1.658  -1.643  0.00  0.00    +0.403 C 
ATOM      9  N   LIG    1       -4.186   0.304  -1.409  0.00  0.00    -0.252 N 
ATOM     10  O   LIG    1       -3.581   2.130  -2.677  0.00  0.00    -0.226 OA
BRANCH   8  12
ATOM     11  C   LIG    1       -4.277   3.818  -0.768  0.00  0.00    +0.282 C 
ATOM     12  O   LIG    1       -4.471   2.413  -0.597  0.00  0.00    -0.454 OA
ENDBRANCH   8  12
BRANCH   9  13
ATOM     13  C   LIG    1       -4.732  -0.199  -0.149  0.00  0.00    +0.231 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -3.693  -0.245   0.978  0.00  0.00    +0.322 C 
ATOM     15  O   LIG    1       -2.672   0.427   1.033  0.00  0.00    -0.249 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -4.036  -1.095   1.979  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1       -4.867  -1.584   1.834  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   9  13
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   3  18
ATOM     18  O   LIG    1        0.565  -1.984  -0.387  0.00  0.00    -0.486 OA
BRANCH  18  19
ATOM     19  C   LIG    1        0.841  -0.618  -0.052  0.00  0.00    +0.287 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.123  -0.510   0.700  0.00  0.00    +0.117 A 
ATOM     21  N   LIG    1        3.104   0.396   0.348  0.00  0.00    -0.211 NA
ATOM     22  C   LIG    1        4.061   0.197   1.235  0.00  0.00    +0.227 A 
ATOM     23  O   LIG    1        3.775  -0.778   2.155  0.00  0.00    -0.443 OA
ATOM     24  C   LIG    1        2.537  -1.219   1.803  0.00  0.00    +0.224 A 
BRANCH  22  25
ATOM     25  C   LIG    1        5.354   0.866   1.361  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        5.704   1.874   0.445  0.00  0.00    +0.016 A 
ATOM     27  C   LIG    1        6.933   2.533   0.540  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1        7.818   2.185   1.552  0.00  0.00    +0.123 A 
ATOM     29  F   LIG    1        8.996   2.815   1.645  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        7.498   1.192   2.470  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1        6.268   0.534   2.375  0.00  0.00    +0.016 A 
ENDBRANCH  22  25
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 10