REMARK  Name = BDB048809
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.444   0.348   0.167  0.00  0.00    +0.084 C 
ATOM      2  C   LIG    1        2.241   0.796   0.833  0.00  0.00    +0.169 C 
ATOM      3  C   LIG    1        1.086   0.325   0.096  0.00  0.00    -0.000 A 
ATOM      4  C   LIG    1        1.619  -0.444  -0.951  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1        0.768  -1.102  -1.825  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -0.617  -0.956  -1.653  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -1.139  -0.163  -0.615  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1       -0.275   0.485   0.273  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1        3.103  -0.408  -0.902  0.00  0.00    +0.037 C 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        4.057  -1.025  -1.739  0.00  0.00    +0.139 A 
ATOM     11  N   LIG    1        3.913  -0.923  -3.103  0.00  0.00    -0.344 N 
ATOM     12  H   LIG    1        3.179  -0.420  -3.581  0.00  0.00    +0.167 HD
ATOM     13  C   LIG    1        4.957  -1.585  -3.689  0.00  0.00    +0.104 A 
ATOM     14  C   LIG    1        5.710  -2.057  -2.643  0.00  0.00    +0.130 A 
ATOM     15  N   LIG    1        5.151  -1.697  -1.444  0.00  0.00    -0.236 NA
ENDBRANCH   9  10
BRANCH   2  16
ATOM     16  N   LIG    1        2.190   1.770   1.872  0.00  0.00    -0.181 N 
ATOM     17  O   LIG    1        1.542   3.007   1.579  0.00  0.00    -0.173 OA
ATOM     18  C   LIG    1        2.687   1.489   3.213  0.00  0.00    +0.191 C 
ENDBRANCH   2  16
BRANCH   1  19
ATOM     19  C   LIG    1        4.800   0.721   0.601  0.00  0.00    +0.339 C 
ATOM     20  O   LIG    1        5.181   0.622   1.758  0.00  0.00    -0.245 OA
BRANCH  19  21
ATOM     21  O   LIG    1        5.478   1.283  -0.429  0.00  0.00    -0.462 OA
BRANCH  21  23
ATOM     22  C   LIG    1        7.786   0.561  -0.306  0.00  0.00    +0.048 C 
ATOM     23  C   LIG    1        6.813   1.712  -0.132  0.00  0.00    +0.229 C 
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH   1  19
BRANCH   7  24
ATOM     24  O   LIG    1       -2.467   0.046  -0.361  0.00  0.00    -0.492 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -3.411  -0.594  -1.218  0.00  0.00    +0.229 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.821  -0.221  -0.766  0.00  0.00    +0.046 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.116  -0.716   0.653  0.00  0.00    +0.038 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -6.532  -0.397   1.065  0.00  0.00    -0.047 A 
ATOM     29  C   LIG    1       -6.842   0.847   1.630  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1       -8.154   1.151   1.996  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -9.168   0.216   1.798  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -8.872  -1.023   1.232  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -7.560  -1.328   0.865  0.00  0.00    +0.003 A 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   7  24
TORSDOF 10