REMARK  Name = BDB048796
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.035   0.642  -2.369  0.00  0.00    +0.098 C 
ENDROOT
BRANCH   1   7
ATOM      2  C   LIG    1       -3.252   0.901  -0.843  0.00  0.00    +0.141 A 
ATOM      3  N   LIG    1       -3.054   2.246  -1.087  0.00  0.00    -0.331 N 
ATOM      4  C   LIG    1       -4.012   3.303  -0.855  0.00  0.00    +0.150 C 
ATOM      5  C   LIG    1       -1.803   2.404  -1.646  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -1.204   3.716  -1.994  0.00  0.00    +0.065 C 
ATOM      7  C   LIG    1       -1.323   1.116  -1.796  0.00  0.00    +0.066 A 
ATOM      8  N   LIG    1       -2.228   0.208  -1.308  0.00  0.00    -0.232 NA
BRANCH   2  12
ATOM      9  C   LIG    1       -6.697  -0.882   0.979  0.00  0.00    -0.048 A 
ATOM     10  C   LIG    1       -6.202  -1.356  -0.242  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -5.075  -0.770  -0.824  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -4.431   0.309  -0.208  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1       -4.918   0.772   1.021  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -6.045   0.188   1.605  0.00  0.00    +0.004 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -9.198  -0.820   1.143  0.00  0.00    +0.009 C 
ATOM     16  C   LIG    1       -7.920  -1.505   1.602  0.00  0.00    +0.032 C 
ENDBRANCH   9  16
ENDBRANCH   2  12
ENDBRANCH   1   7
BRANCH   1  17
ATOM     17  C   LIG    1        0.936   0.181  -1.287  0.00  0.00    +0.235 C 
BRANCH  17  18
ATOM     18  O   LIG    1        2.180  -0.146  -1.912  0.00  0.00    -0.492 OA
BRANCH  18  19
ATOM     19  C   LIG    1        3.199  -0.553  -1.093  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1        4.410  -0.791  -1.751  0.00  0.00    +0.049 A 
ATOM     21  C   LIG    1        5.505  -1.212  -1.013  0.00  0.00    -0.040 A 
ATOM     22  C   LIG    1        6.888  -1.496  -1.505  0.00  0.00    +0.036 C 
ATOM     23  C   LIG    1        7.455  -2.305  -0.330  0.00  0.00    +0.013 C 
ATOM     24  C   LIG    1        6.742  -1.806   0.950  0.00  0.00    +0.030 C 
ATOM     25  C   LIG    1        5.418  -1.382   0.371  0.00  0.00    -0.040 A 
ATOM     26  C   LIG    1        4.225  -1.154   1.037  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        3.111  -0.739   0.296  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1        7.499  -0.648   1.602  0.00  0.00    +0.128 C 
BRANCH  28  29
ATOM     29  C   LIG    1        6.926  -0.267   2.938  0.00  0.00    +0.305 C 
ATOM     30  O   LIG    1        6.559   0.846   3.276  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1        6.899  -1.288   3.816  0.00  0.00    -0.481 OA
ATOM     32  H   LIG    1        6.543  -0.883   4.635  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  24  28
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 9