REMARK  Name = BDB037033
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.037  -1.030   0.195  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1       -1.799  -1.657   0.064  0.00  0.00    +0.059 A 
ATOM      3  C   LIG    1       -0.677  -0.869   0.234  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1        0.731  -1.242   0.153  0.00  0.00    +0.255 C 
ATOM      5  N   LIG    1        1.453  -0.117   0.426  0.00  0.00    -0.222 N 
ATOM      6  C   LIG    1        0.638   0.971   0.614  0.00  0.00    +0.258 C 
ATOM      7  O   LIG    1        0.980   2.117   0.832  0.00  0.00    -0.269 OA
ATOM      8  O   LIG    1        1.121  -2.360  -0.126  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -0.744   0.485   0.515  0.00  0.00    +0.091 A 
ATOM     10  C   LIG    1       -1.958   1.137   0.645  0.00  0.00    +0.138 A 
ATOM     11  C   LIG    1       -3.111   0.354   0.486  0.00  0.00    +0.092 A 
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1        2.899  -0.004   0.314  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1        3.295  -0.003  -1.167  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1        2.528   0.288  -2.083  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1        4.614  -0.296  -1.429  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1        4.881  -0.288  -2.405  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        5.557  -0.781  -0.557  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1        6.676  -1.102  -0.948  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        5.164  -0.839   0.901  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1        3.672  -1.088   1.061  0.00  0.00    +0.041 C 
ENDBRANCH   5  12
BRANCH   1  22
ATOM     21  C   LIG    1       -4.254  -3.025  -0.264  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -4.256  -1.641   0.068  0.00  0.00    -0.495 OA
ENDBRANCH   1  22
BRANCH  10  23
ATOM     23  O   LIG    1       -1.926   2.468   0.923  0.00  0.00    -0.480 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -3.138   3.204   0.904  0.00  0.00    +0.349 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.781   3.423  -0.458  0.00  0.00    +0.343 C 
ATOM     26  O   LIG    1       -4.981   3.517  -0.669  0.00  0.00    -0.247 OA
BRANCH  25  27
ATOM     27  O   LIG    1       -2.898   3.550  -1.467  0.00  0.00    -0.478 OA
ATOM     28  H   LIG    1       -3.446   3.700  -2.265  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  10  23
TORSDOF 6