REMARK  Name = BDB009005
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.219  -1.020   1.209  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.390  -1.663   0.287  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -0.951  -1.948   0.597  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -1.446  -1.603   1.861  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.623  -0.970   2.790  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.703  -0.680   2.465  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        3.258  -0.796  -0.232  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1        2.563  -0.693   0.958  0.00  0.00    -0.285 N 
ATOM      9  H   LIG    1        3.071  -0.240   1.718  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        2.814  -1.176  -1.312  0.00  0.00    -0.275 OA
BRANCH   7  11
ATOM     11  C   LIG    1        4.717  -0.400  -0.093  0.00  0.00    +0.124 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.860   1.034   0.391  0.00  0.00    +0.169 C 
BRANCH  12  13
ATOM     13  O   LIG    1        4.511   1.088   1.782  0.00  0.00    -0.380 OA
BRANCH  13  15
ATOM     14  C   LIG    1        4.201   2.396   3.753  0.00  0.00    +0.034 C 
ATOM     15  C   LIG    1        4.633   2.413   2.300  0.00  0.00    +0.156 C 
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   8
BRANCH   3  16
ATOM     16  C   LIG    1       -1.834  -2.644  -0.412  0.00  0.00    +0.092 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.107  -1.866  -0.735  0.00  0.00    +0.069 A 
ATOM     18  C   LIG    1       -3.037  -0.660  -1.620  0.00  0.00    -0.016 A 
ATOM     19  C   LIG    1       -1.738  -0.228  -2.244  0.00  0.00    +0.037 C 
ATOM     20  C   LIG    1       -1.918   0.796  -3.369  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1       -2.924   1.871  -2.979  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -4.287   1.255  -2.655  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -4.187   0.005  -1.824  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -5.450  -0.482  -1.213  0.00  0.00    +0.268 A 
ATOM     25  O   LIG    1       -6.519   0.091  -1.392  0.00  0.00    -0.266 OA
ATOM     26  N   LIG    1       -5.347  -1.611  -0.448  0.00  0.00    -0.243 N 
ATOM     27  H   LIG    1       -6.198  -1.962  -0.021  0.00  0.00    +0.192 HD
ATOM     28  N   LIG    1       -4.206  -2.303  -0.192  0.00  0.00    -0.175 NA
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 7