REMARK  Name = BDB044931
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.102  -1.209   0.906  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        2.890  -0.720  -0.186  0.00  0.00    +0.010 A 
ATOM      3  C   LIG    1        2.014  -0.137  -1.101  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        2.443   0.452  -2.296  0.00  0.00    +0.026 A 
ATOM      5  C   LIG    1        3.813   0.444  -2.568  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        4.716  -0.130  -1.677  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1        0.746  -0.267  -0.589  0.00  0.00    -0.357 N 
ATOM      8  H   LIG    1       -0.092   0.073  -1.044  0.00  0.00    +0.166 HD
ATOM      9  C   LIG    1        4.269  -0.714  -0.485  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        0.772  -0.916   0.624  0.00  0.00    +0.032 A 
ENDROOT
BRANCH   1  12
ATOM     11  O   LIG    1        1.869  -2.277   3.013  0.00  0.00    -0.296 OA
ATOM     12  C   LIG    1        2.587  -1.887   2.096  0.00  0.00    +0.261 C 
ENDBRANCH   1  12
BRANCH  10  13
ATOM     13  C   LIG    1       -0.469  -1.200   1.426  0.00  0.00    +0.091 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -1.746  -0.819   0.735  0.00  0.00    -0.017 A 
ATOM     15  C   LIG    1       -2.336   0.487   0.680  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1       -3.505   0.388  -0.075  0.00  0.00    +0.047 A 
ATOM     17  C   LIG    1       -4.331   1.487  -0.340  0.00  0.00    +0.026 A 
ATOM     18  C   LIG    1       -3.947   2.726   0.181  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -2.785   2.858   0.937  0.00  0.00    +0.001 A 
ATOM     20  N   LIG    1       -3.633  -0.928  -0.451  0.00  0.00    -0.360 N 
ATOM     21  H   LIG    1       -4.399  -1.295  -1.000  0.00  0.00    +0.165 HD
ATOM     22  C   LIG    1       -1.972   1.749   1.194  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1       -2.578  -1.661   0.020  0.00  0.00    +0.087 A 
ENDBRANCH  13  14
ENDBRANCH  10  13
TORSDOF 3