REMARK  Name = BDB048144
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.600   1.771   0.695  0.00  0.00    +0.139 A 
ATOM      2  C   LIG    1       -0.885   0.926   1.761  0.00  0.00    +0.156 A 
ATOM      3  N   LIG    1       -2.129   0.503   2.097  0.00  0.00    -0.256 NA
ATOM      4  C   LIG    1       -3.157   0.939   1.336  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -2.967   1.796   0.255  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1       -1.673   2.213  -0.068  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        0.714   2.086   0.515  0.00  0.00    -0.490 OA
BRANCH   7   8
ATOM      8  C   LIG    1        1.049   2.861  -0.637  0.00  0.00    +0.235 C 
BRANCH   8   9
ATOM      9  C   LIG    1        2.566   3.043  -0.700  0.00  0.00    +0.100 C 
BRANCH   9  12
ATOM     10  C   LIG    1        2.837   1.384  -3.634  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1        3.378   1.151  -2.285  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1        3.290   1.795  -1.068  0.00  0.00    +0.086 A 
ATOM     13  N   LIG    1        4.033   1.108  -0.135  0.00  0.00    -0.214 NA
ATOM     14  C   LIG    1        4.522   0.076  -0.796  0.00  0.00    +0.228 A 
ATOM     15  O   LIG    1        4.162   0.044  -2.119  0.00  0.00    -0.440 OA
BRANCH  14  16
ATOM     16  C   LIG    1        5.377  -1.007  -0.317  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        5.826  -2.032  -1.164  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        6.643  -3.056  -0.676  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        7.022  -3.068   0.665  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        6.585  -2.058   1.519  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        5.768  -1.035   1.031  0.00  0.00    +0.013 A 
ENDBRANCH  14  16
ENDBRANCH   9  12
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  22
ATOM     22  C   LIG    1       -4.536   0.471   1.718  0.00  0.00    +0.102 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.892  -0.967   1.295  0.00  0.00    +0.171 C 
ATOM     24  O   LIG    1       -6.285  -1.154   1.689  0.00  0.00    -0.362 OA
ATOM     25  C   LIG    1       -7.071  -1.440   0.529  0.00  0.00    +0.161 C 
ATOM     26  C   LIG    1       -6.286  -0.912  -0.644  0.00  0.00    +0.031 C 
ATOM     27  C   LIG    1       -4.872  -1.219  -0.218  0.00  0.00    +0.049 C 
BRANCH  23  28
ATOM     28  C   LIG    1       -4.024  -1.966   2.075  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1       -4.233  -2.397   3.200  0.00  0.00    -0.248 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -2.923  -2.370   1.405  0.00  0.00    -0.479 OA
ATOM     31  H   LIG    1       -2.428  -2.881   2.079  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  23  28
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 9