REMARK  Name = BDB046518
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.669   0.773   0.911  0.00  0.00    -0.265 N 
ATOM      2  C   LIG    1        1.642   1.760   1.939  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1        0.405   2.226   2.410  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1        0.332   3.237   3.371  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        1.499   3.783   3.899  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        2.735   3.325   3.453  0.00  0.00    +0.002 A 
ATOM      7  O   LIG    1       -0.799   1.784   1.932  0.00  0.00    -0.478 OA
ATOM      8  C   LIG    1       -0.723   0.472   1.392  0.00  0.00    +0.262 C 
ATOM      9  C   LIG    1        2.807   2.326   2.475  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1        0.473   0.212   0.464  0.00  0.00    +0.261 C 
ATOM     11  O   LIG    1        0.393  -0.509  -0.530  0.00  0.00    -0.271 OA
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1        2.897   0.450   0.186  0.00  0.00    +0.114 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.193   1.463  -0.925  0.00  0.00    +0.019 C 
BRANCH  13  14
ATOM     14  C   LIG    1        4.526   1.214  -1.635  0.00  0.00    +0.002 C 
BRANCH  14  15
ATOM     15  C   LIG    1        4.557  -0.094  -2.430  0.00  0.00    +0.000 C 
BRANCH  15  16
ATOM     16  C   LIG    1        5.867  -0.235  -3.210  0.00  0.00    -0.000 C 
BRANCH  16  18
ATOM     17  C   LIG    1        5.897  -2.784  -3.326  0.00  0.00    +0.004 C 
ATOM     18  C   LIG    1        5.911  -1.476  -4.103  0.00  0.00    -0.003 C 
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   8  19
ATOM     19  C   LIG    1       -2.042   0.177   0.667  0.00  0.00    +0.095 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.251   0.344   1.585  0.00  0.00    +0.233 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -4.469   0.048   0.890  0.00  0.00    -0.492 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -4.861  -1.260   0.755  0.00  0.00    +0.124 A 
ATOM     23  C   LIG    1       -5.999  -1.465  -0.050  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -6.509  -2.764  -0.208  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1       -5.887  -3.848   0.406  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -4.753  -3.644   1.186  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -4.242  -2.356   1.363  0.00  0.00    +0.046 A 
BRANCH  23  28
ATOM     28  C   LIG    1       -6.696  -0.314  -0.741  0.00  0.00    +0.159 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -7.638   0.453   0.156  0.00  0.00    +0.309 C 
ATOM     30  O   LIG    1       -8.848   0.511  -0.019  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -7.026   1.115   1.166  0.00  0.00    -0.480 OA
ATOM     32  H   LIG    1       -6.060   0.938   1.180  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  23  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   8  19
TORSDOF 13