REMARK  Name = BDB048790
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.149  -2.570  -0.673  0.00  0.00    +0.235 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.620  -1.641  -1.613  0.00  0.00    +0.100 C 
BRANCH   2   7
ATOM      3  C   LIG    1        3.843  -0.767  -0.403  0.00  0.00    +0.228 A 
ATOM      4  O   LIG    1        3.183   0.269   0.206  0.00  0.00    -0.440 OA
ATOM      5  C   LIG    1        1.877   0.101  -0.157  0.00  0.00    +0.126 A 
ATOM      6  C   LIG    1        0.904   1.077   0.363  0.00  0.00    +0.088 C 
ATOM      7  C   LIG    1        1.802  -1.018  -0.958  0.00  0.00    +0.086 A 
ATOM      8  N   LIG    1        3.059  -1.560  -1.110  0.00  0.00    -0.214 NA
BRANCH   3  11
ATOM      9  C   LIG    1        7.355  -0.013   0.793  0.00  0.00    +0.121 A 
ATOM     10  C   LIG    1        5.973   0.086   0.606  0.00  0.00    +0.058 A 
ATOM     11  C   LIG    1        5.287  -0.847  -0.191  0.00  0.00    +0.040 A 
ATOM     12  C   LIG    1        6.015  -1.882  -0.798  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1        7.393  -1.985  -0.615  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        8.057  -1.052   0.179  0.00  0.00    +0.045 A 
BRANCH   9  16
ATOM     15  C   LIG    1        7.462   1.904   2.198  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1        8.128   0.831   1.543  0.00  0.00    -0.495 OA
ENDBRANCH   9  16
ENDBRANCH   3  11
ENDBRANCH   2   7
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  O   LIG    1       -0.854  -1.843   0.337  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -2.092  -1.335   0.055  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1       -2.693  -0.672   1.131  0.00  0.00    +0.049 A 
ATOM     20  C   LIG    1       -3.949  -0.111   0.960  0.00  0.00    -0.040 A 
ATOM     21  C   LIG    1       -4.755   0.658   1.958  0.00  0.00    +0.036 C 
ATOM     22  C   LIG    1       -6.146   0.616   1.309  0.00  0.00    +0.013 C 
ATOM     23  C   LIG    1       -5.933   0.526  -0.222  0.00  0.00    +0.030 C 
ATOM     24  C   LIG    1       -4.606  -0.184  -0.269  0.00  0.00    -0.040 A 
ATOM     25  C   LIG    1       -4.025  -0.835  -1.344  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -2.761  -1.415  -1.176  0.00  0.00    +0.046 A 
BRANCH  23  27
ATOM     27  C   LIG    1       -5.857   1.895  -0.901  0.00  0.00    +0.128 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -7.210   2.542  -1.000  0.00  0.00    +0.305 C 
ATOM     29  O   LIG    1       -8.288   2.062  -0.696  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -7.134   3.791  -1.502  0.00  0.00    -0.481 OA
ATOM     31  H   LIG    1       -8.065   4.098  -1.524  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  23  27
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 9