REMARK  Name = BDB008841
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.494  -0.850   0.021  0.00  0.00    +0.044 A 
ATOM      2  C   LIG    1        1.422  -0.501  -0.820  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        0.369  -1.392  -1.102  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1        0.402  -2.675  -0.554  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        1.458  -3.051   0.267  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        2.490  -2.149   0.551  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        5.209  -1.354   1.158  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1        4.751  -0.252   0.889  0.00  0.00    +0.227 C 
ATOM      9  N   LIG    1        3.539   0.082   0.322  0.00  0.00    -0.210 N 
ATOM     10  C   LIG    1        3.457   1.443   0.106  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1        2.505   2.117  -0.265  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        4.786   2.066   0.407  0.00  0.00    +0.106 C 
ATOM     13  C   LIG    1        5.519   1.002   1.179  0.00  0.00    +0.106 C 
ENDBRANCH   1   9
BRANCH   3  14
ATOM     14  C   LIG    1       -0.769  -0.971  -2.004  0.00  0.00    +0.092 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -2.130  -1.020  -1.315  0.00  0.00    +0.069 A 
ATOM     16  C   LIG    1       -2.516   0.058  -0.351  0.00  0.00    -0.016 A 
ATOM     17  C   LIG    1       -1.606   1.225  -0.082  0.00  0.00    +0.037 C 
ATOM     18  C   LIG    1       -2.302   2.382   0.641  0.00  0.00    +0.005 C 
ATOM     19  C   LIG    1       -3.173   1.871   1.782  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1       -4.241   0.905   1.265  0.00  0.00    +0.041 C 
ATOM     21  C   LIG    1       -3.713  -0.069   0.248  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1       -4.592  -1.220  -0.078  0.00  0.00    +0.268 A 
ATOM     23  O   LIG    1       -5.696  -1.360   0.439  0.00  0.00    -0.266 OA
ATOM     24  N   LIG    1       -4.098  -2.109  -0.994  0.00  0.00    -0.243 N 
ATOM     25  H   LIG    1       -4.683  -2.903  -1.231  0.00  0.00    +0.192 HD
ATOM     26  N   LIG    1       -2.889  -2.035  -1.609  0.00  0.00    -0.175 NA
ENDBRANCH  14  15
ENDBRANCH   3  14
TORSDOF 3