REMARK  Name = BDB017311
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.384   0.249  -1.185  0.00  0.00    +0.143 C 
ATOM      2  N   LIG    1       -2.037  -0.799  -0.330  0.00  0.00    -0.286 NA
ATOM      3  C   LIG    1       -3.296  -0.223   0.206  0.00  0.00    +0.101 C 
ATOM      4  C   LIG    1       -3.111   1.143   0.907  0.00  0.00    +0.100 C 
ATOM      5  N   LIG    1       -2.498   2.139   0.009  0.00  0.00    -0.296 NA
ATOM      6  C   LIG    1       -1.205   1.614  -0.463  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.488   3.456   0.664  0.00  0.00    +0.057 C 
ATOM      8  C   LIG    1       -1.173   3.890   1.351  0.00  0.00    +0.019 C 
ATOM      9  C   LIG    1       -1.438   5.294   0.753  0.00  0.00    +0.003 C 
ATOM     10  C   LIG    1       -2.233   4.581  -0.368  0.00  0.00    +0.019 C 
ENDBRANCH   5   7
BRANCH   1  11
ATOM     11  C   LIG    1       -0.057  -0.235  -1.791  0.00  0.00    +0.181 C 
ATOM     12  O   LIG    1       -0.009  -0.622  -2.963  0.00  0.00    -0.290 OA
BRANCH  11  18
ATOM     13  C   LIG    1        6.087  -0.037   0.397  0.00  0.00    +0.121 A 
ATOM     14  C   LIG    1        4.884  -0.267   1.071  0.00  0.00    +0.054 A 
ATOM     15  C   LIG    1        3.655  -0.266   0.391  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1        3.638  -0.029  -1.000  0.00  0.00    -0.017 A 
ATOM     17  C   LIG    1        2.410  -0.030  -1.683  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        1.206  -0.249  -1.000  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        1.230  -0.496   0.371  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        4.850   0.200  -1.669  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        2.445  -0.503   1.061  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        6.065   0.197  -0.976  0.00  0.00    +0.046 A 
BRANCH  13  24
ATOM     23  C   LIG    1        8.454   0.134   0.548  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1        7.201  -0.066   1.190  0.00  0.00    -0.495 OA
ENDBRANCH  13  24
ENDBRANCH  11  18
ENDBRANCH   1  11
BRANCH   2  25
ATOM     25  C   LIG    1       -2.302  -2.016  -1.131  0.00  0.00    +0.121 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.063  -3.106  -0.394  0.00  0.00    -0.016 A 
ATOM     27  C   LIG    1       -2.521  -3.807   0.701  0.00  0.00    +0.056 A 
ATOM     28  C   LIG    1       -3.278  -4.803   1.338  0.00  0.00    +0.019 A 
ATOM     29  C   LIG    1       -4.565  -5.109   0.898  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -5.108  -4.423  -0.183  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.364  -3.430  -0.825  0.00  0.00    +0.006 A 
BRANCH  27  32
ATOM     32  C   LIG    1       -1.203  -3.539   1.204  0.00  0.00    +0.099 C 
ATOM     33  N   LIG    1       -0.145  -3.360   1.646  0.00  0.00    -0.191 NA
ENDBRANCH  27  32
ENDBRANCH  25  26
ENDBRANCH   2  25
TORSDOF 7