REMARK  Name = BDB048132
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.996   2.320   1.483  0.00  0.00    -0.490 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.002   1.907   0.661  0.00  0.00    +0.139 A 
ATOM      3  C   LIG    1       -3.280   2.329   1.008  0.00  0.00    +0.156 A 
ATOM      4  N   LIG    1       -4.409   2.016   0.325  0.00  0.00    -0.256 NA
ATOM      5  C   LIG    1       -4.271   1.244  -0.776  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1       -3.030   0.770  -1.196  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -1.887   1.105  -0.468  0.00  0.00    +0.049 A 
BRANCH   5   8
ATOM      8  C   LIG    1       -5.528   0.900  -1.534  0.00  0.00    +0.102 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -6.152  -0.446  -1.141  0.00  0.00    +0.171 C 
ATOM     10  O   LIG    1       -5.222  -1.545  -1.395  0.00  0.00    -0.362 OA
ATOM     11  C   LIG    1       -5.142  -2.339  -0.197  0.00  0.00    +0.161 C 
ATOM     12  C   LIG    1       -6.398  -2.049   0.589  0.00  0.00    +0.031 C 
ATOM     13  C   LIG    1       -6.607  -0.579   0.312  0.00  0.00    +0.049 C 
BRANCH   9  14
ATOM     14  C   LIG    1       -7.345  -0.669  -2.088  0.00  0.00    +0.337 C 
ATOM     15  O   LIG    1       -8.379  -0.020  -2.088  0.00  0.00    -0.248 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -7.118  -1.685  -2.962  0.00  0.00    -0.479 OA
ATOM     17  H   LIG    1       -6.225  -2.056  -2.768  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH   9  14
ENDBRANCH   8   9
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        0.354   2.011   1.122  0.00  0.00    +0.235 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.771   0.658   1.696  0.00  0.00    +0.100 C 
BRANCH  19  24
ATOM     20  C   LIG    1        4.206   0.367   0.844  0.00  0.00    +0.228 A 
ATOM     21  O   LIG    1        3.843  -0.874   0.389  0.00  0.00    -0.440 OA
ATOM     22  C   LIG    1        2.503  -0.953   0.642  0.00  0.00    +0.126 A 
ATOM     23  C   LIG    1        1.816  -2.198   0.260  0.00  0.00    +0.088 C 
ATOM     24  C   LIG    1        2.113   0.232   1.228  0.00  0.00    +0.086 A 
ATOM     25  N   LIG    1        3.204   1.062   1.351  0.00  0.00    -0.214 NA
BRANCH  20  28
ATOM     26  C   LIG    1        7.898   0.249   0.016  0.00  0.00    +0.121 A 
ATOM     27  C   LIG    1        6.559  -0.132   0.139  0.00  0.00    +0.058 A 
ATOM     28  C   LIG    1        5.612   0.740   0.705  0.00  0.00    +0.040 A 
ATOM     29  C   LIG    1        6.035   2.002   1.147  0.00  0.00    +0.013 A 
ATOM     30  C   LIG    1        7.370   2.387   1.028  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        8.295   1.511   0.463  0.00  0.00    +0.045 A 
BRANCH  26  33
ATOM     32  C   LIG    1        8.560  -1.809  -0.979  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1        8.905  -0.509  -0.515  0.00  0.00    -0.495 OA
ENDBRANCH  26  33
ENDBRANCH  20  28
ENDBRANCH  19  24
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 10