REMARK  Name = BDB040750
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.371   0.627   1.942  0.00  0.00    -0.328 N 
ATOM      2  C   LIG    1        0.474  -0.386   2.516  0.00  0.00    +0.127 C 
ATOM      3  C   LIG    1       -0.777   0.419   2.916  0.00  0.00    +0.095 C 
ATOM      4  C   LIG    1       -0.179   1.755   3.340  0.00  0.00    +0.043 C 
ATOM      5  C   LIG    1        0.973   1.974   2.358  0.00  0.00    +0.107 C 
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1        5.084  -0.255   0.085  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1        4.269  -1.259   0.596  0.00  0.00    +0.132 A 
ATOM      8  F   LIG    1        4.650  -2.541   0.495  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1        3.045  -0.975   1.209  0.00  0.00    +0.062 A 
ATOM     10  C   LIG    1        2.577   0.340   1.347  0.00  0.00    +0.035 A 
ATOM     11  C   LIG    1        3.399   1.346   0.819  0.00  0.00    +0.062 A 
ATOM     12  C   LIG    1        4.620   1.051   0.206  0.00  0.00    +0.132 A 
ATOM     13  F   LIG    1        5.349   2.064  -0.286  0.00  0.00    -0.205 F 
BRANCH   6  20
ATOM     14  O   LIG    1        9.887   0.342  -2.615  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        8.826   0.109  -2.042  0.00  0.00    +0.219 C 
ATOM     16  N   LIG    1        8.639   0.456  -0.729  0.00  0.00    -0.256 N 
ATOM     17  H   LIG    1        9.420   0.911  -0.276  0.00  0.00    +0.157 HD
ATOM     18  C   LIG    1        7.579   0.139   0.089  0.00  0.00    +0.227 C 
ATOM     19  O   LIG    1        7.641   0.374   1.294  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1        6.405  -0.582  -0.571  0.00  0.00    +0.111 C 
ATOM     21  C   LIG    1        6.361  -0.286  -2.074  0.00  0.00    +0.027 C 
ATOM     22  C   LIG    1        7.697  -0.639  -2.707  0.00  0.00    +0.097 C 
ENDBRANCH   6  20
ENDBRANCH   1  10
BRANCH   3  23
ATOM     23  N   LIG    1       -1.706   0.584   1.806  0.00  0.00    -0.277 N 
ATOM     24  H   LIG    1       -1.461   1.198   1.041  0.00  0.00    +0.152 HD
ATOM     25  C   LIG    1       -2.555  -0.420   1.448  0.00  0.00    +0.401 C 
ATOM     26  O   LIG    1       -2.764  -1.429   2.103  0.00  0.00    -0.226 OA
BRANCH  25  27
ATOM     27  O   LIG    1       -3.103  -0.125   0.246  0.00  0.00    -0.450 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -4.016  -1.102  -0.282  0.00  0.00    +0.237 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -5.420  -0.819   0.237  0.00  0.00    +0.028 C 
ATOM     30  C   LIG    1       -6.097   0.488  -0.277  0.00  0.00    +0.013 C 
ATOM     31  C   LIG    1       -6.896  -0.377  -1.224  0.00  0.00    -0.029 C 
ATOM     32  C   LIG    1       -6.575  -0.304  -2.701  0.00  0.00    +0.007 C 
ATOM     33  C   LIG    1       -7.854   0.559  -2.844  0.00  0.00    +0.001 C 
ATOM     34  C   LIG    1       -8.339  -0.026  -1.493  0.00  0.00    +0.007 C 
ATOM     35  C   LIG    1       -6.557  -1.627  -0.457  0.00  0.00    +0.013 C 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  23
TORSDOF 6