REMARK  Name = BDB048780
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.535  -2.174   0.011  0.00  0.00    +0.235 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.663  -2.897  -0.603  0.00  0.00    +0.100 C 
BRANCH   2   7
ATOM      3  C   LIG    1       -3.707  -1.079  -0.388  0.00  0.00    +0.228 A 
ATOM      4  O   LIG    1       -3.279  -0.489  -1.549  0.00  0.00    -0.440 OA
ATOM      5  C   LIG    1       -2.076  -1.083  -1.809  0.00  0.00    +0.126 A 
ATOM      6  C   LIG    1       -1.354  -0.636  -3.012  0.00  0.00    +0.088 C 
ATOM      7  C   LIG    1       -1.828  -1.994  -0.805  0.00  0.00    +0.086 A 
ATOM      8  N   LIG    1       -2.873  -1.983   0.093  0.00  0.00    -0.214 NA
BRANCH   3  12
ATOM      9  C   LIG    1       -7.476   0.191   1.213  0.00  0.00    +0.120 A 
ATOM     10  C   LIG    1       -6.989   0.768   0.041  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -5.757   0.357  -0.488  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1       -4.993  -0.634   0.143  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1       -5.493  -1.207   1.320  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1       -6.722  -0.798   1.848  0.00  0.00    +0.046 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -9.458   1.502   1.226  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -8.655   0.497   1.832  0.00  0.00    -0.495 OA
ENDBRANCH   9  16
ENDBRANCH   3  12
ENDBRANCH   2   7
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  O   LIG    1        1.179  -1.404  -1.010  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        2.256  -0.647  -0.635  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1        2.813  -0.596   0.645  0.00  0.00    +0.049 A 
ATOM     20  C   LIG    1        3.906   0.233   0.859  0.00  0.00    -0.040 A 
ATOM     21  C   LIG    1        4.671   0.427   2.130  0.00  0.00    +0.036 C 
ATOM     22  C   LIG    1        5.434   1.724   1.823  0.00  0.00    +0.013 C 
ATOM     23  C   LIG    1        5.657   1.772   0.293  0.00  0.00    +0.030 C 
ATOM     24  C   LIG    1        4.460   0.989  -0.179  0.00  0.00    -0.040 A 
ATOM     25  C   LIG    1        3.919   0.946  -1.452  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1        2.812   0.123  -1.672  0.00  0.00    +0.046 A 
BRANCH  23  27
ATOM     27  C   LIG    1        6.959   1.101  -0.151  0.00  0.00    +0.128 C 
BRANCH  27  28
ATOM     28  C   LIG    1        8.168   1.946   0.168  0.00  0.00    +0.305 C 
ATOM     29  O   LIG    1        8.144   3.055   0.677  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1        9.326   1.338  -0.181  0.00  0.00    -0.481 OA
ATOM     31  H   LIG    1        9.203   0.457  -0.585  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  23  27
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 9