REMARK  Name = BDB053948
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.762   0.626  -0.451  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1        0.612  -0.161  -0.265  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1       -0.664   0.444  -0.239  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -0.734   1.827  -0.420  0.00  0.00    +0.048 A 
ATOM      5  N   LIG    1       -2.061   2.182  -0.375  0.00  0.00    -0.354 N 
ATOM      6  H   LIG    1       -2.405   3.125  -0.485  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -2.856   1.083  -0.171  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1       -4.251   0.975  -0.066  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1       -5.316   2.038  -0.114  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1       -6.571   1.192  -0.369  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -6.317  -0.181   0.272  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -4.831  -0.282   0.158  0.00  0.00    -0.029 A 
ATOM     13  C   LIG    1       -4.020  -1.378   0.283  0.00  0.00    +0.056 A 
ATOM     14  C   LIG    1       -4.333  -2.781   0.544  0.00  0.00    +0.260 A 
ATOM     15  O   LIG    1       -5.443  -3.242   0.720  0.00  0.00    -0.267 OA
ATOM     16  N   LIG    1       -3.144  -3.437   0.561  0.00  0.00    -0.289 N 
ATOM     17  H   LIG    1       -3.050  -4.422   0.749  0.00  0.00    +0.172 HD
ATOM     18  C   LIG    1       -2.084  -2.601   0.377  0.00  0.00    +0.260 A 
ATOM     19  O   LIG    1       -0.911  -2.911   0.403  0.00  0.00    -0.267 OA
ATOM     20  C   LIG    1       -2.637  -1.264   0.174  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1        0.396   2.631  -0.613  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -2.005  -0.033  -0.065  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        1.648   2.007  -0.626  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  24
ATOM     24  C   LIG    1        3.089  -0.057  -0.471  0.00  0.00    +0.177 C 
ATOM     25  O   LIG    1        3.141  -1.237  -0.811  0.00  0.00    -0.291 OA
BRANCH  24  26
ATOM     26  C   LIG    1        4.322   0.768  -0.085  0.00  0.00    +0.164 C 
BRANCH  26  28
ATOM     27  C   LIG    1        5.204  -0.790   1.573  0.00  0.00    +0.105 C 
ATOM     28  N   LIG    1        5.506  -0.015   0.358  0.00  0.00    -0.288 NA
BRANCH  28  29
ATOM     29  C   LIG    1        6.009  -0.917  -0.724  0.00  0.00    +0.205 C 
BRANCH  29  30
ATOM     30  C   LIG    1        7.529  -1.055  -0.602  0.00  0.00    +0.319 C 
ATOM     31  O   LIG    1        8.208  -1.873  -1.203  0.00  0.00    -0.250 OA
BRANCH  30  32
ATOM     32  O   LIG    1        8.062  -0.116   0.224  0.00  0.00    -0.480 OA
ATOM     33  H   LIG    1        7.295   0.394   0.580  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 6