REMARK  Name = BDB045278
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.383  -1.093  -1.468  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -1.120  -2.029  -0.726  0.00  0.00    -0.295 N 
ATOM      3  O   LIG    1       -0.897  -0.317  -2.273  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   8
ATOM      4  C   LIG    1        2.987  -0.603   0.136  0.00  0.00    +0.163 A 
ATOM      5  C   LIG    1        3.853  -0.731  -0.963  0.00  0.00    +0.162 A 
ATOM      6  C   LIG    1        3.303  -0.955  -2.230  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1        1.917  -1.075  -2.387  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        1.077  -0.989  -1.274  0.00  0.00    +0.041 A 
ATOM      9  C   LIG    1        1.606  -0.734  -0.009  0.00  0.00    +0.062 A 
BRANCH   5  10
ATOM     10  O   LIG    1        5.192  -0.621  -0.697  0.00  0.00    -0.491 OA
ATOM     11  C   LIG    1        6.089  -0.755  -1.791  0.00  0.00    +0.277 C 
ENDBRANCH   5  10
BRANCH   4  12
ATOM     12  O   LIG    1        3.469  -0.418   1.409  0.00  0.00    -0.488 OA
BRANCH  12  13
ATOM     13  C   LIG    1        3.735   0.973   1.644  0.00  0.00    +0.231 C 
BRANCH  13  14
ATOM     14  C   LIG    1        4.262   1.105   3.069  0.00  0.00    +0.069 C 
BRANCH  14  15
ATOM     15  C   LIG    1        4.659   2.534   3.404  0.00  0.00    +0.163 C 
BRANCH  15  17
ATOM     16  C   LIG    1        3.832   4.730   3.616  0.00  0.00    +0.193 C 
ATOM     17  O   LIG    1        3.515   3.380   3.304  0.00  0.00    -0.383 OA
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   4  12
ENDBRANCH   1   8
BRANCH   2  18
ATOM     18  C   LIG    1       -0.522  -3.238  -0.114  0.00  0.00    +0.070 C 
ATOM     19  C   LIG    1       -1.093  -3.534   1.272  0.00  0.00    +0.028 C 
ATOM     20  C   LIG    1       -0.648  -4.448  -1.044  0.00  0.00    +0.028 C 
ENDBRANCH   2  18
BRANCH   2  21
ATOM     21  C   LIG    1       -2.579  -1.978  -0.912  0.00  0.00    +0.114 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.214  -0.813  -0.133  0.00  0.00    +0.038 C 
ATOM     23  C   LIG    1       -4.233  -0.015  -0.965  0.00  0.00    +0.073 C 
ATOM     24  C   LIG    1       -5.198   0.495   0.107  0.00  0.00    +0.100 C 
ATOM     25  N   LIG    1       -5.355  -0.656   1.014  0.00  0.00    -0.314 NA
ATOM     26  H   LIG    1       -5.995  -1.318   0.572  0.00  0.00    +0.122 HD
ATOM     27  C   LIG    1       -4.020  -1.273   1.093  0.00  0.00    +0.087 C 
BRANCH  23  28
ATOM     28  N   LIG    1       -3.643   0.870  -1.971  0.00  0.00    -0.309 NA
ATOM     29  H   LIG    1       -2.762   0.447  -2.302  0.00  0.00    +0.122 HD
BRANCH  28  30
ATOM     30  C   LIG    1       -3.364   2.279  -1.688  0.00  0.00    +0.048 C 
ATOM     31  C   LIG    1       -2.415   2.531  -0.518  0.00  0.00    +0.023 C 
ATOM     32  C   LIG    1       -4.621   3.146  -1.612  0.00  0.00    +0.023 C 
ENDBRANCH  28  30
ENDBRANCH  23  28
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 12