REMARK  Name = BDB027981
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.047  -1.856  -0.643  0.00  0.00    +0.106 C 
ATOM      2  N   LIG    1       -1.381  -0.848   0.366  0.00  0.00    -0.289 NA
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -2.318   0.199  -0.156  0.00  0.00    +0.144 C 
ATOM      4  C   LIG    1       -2.693   1.240   0.933  0.00  0.00    +0.236 C 
ATOM      5  O   LIG    1       -1.899   2.063   1.388  0.00  0.00    -0.274 OA
ATOM      6  N   LIG    1       -3.998   1.266   1.343  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1       -4.172   1.925   2.092  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1       -5.013   1.266   0.428  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -6.061   1.871   0.634  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -4.710   0.600  -0.888  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1       -3.612  -0.436  -0.713  0.00  0.00    +0.037 C 
ENDBRANCH   2   3
BRANCH   2  12
ATOM     12  C   LIG    1       -0.194  -0.237   1.037  0.00  0.00    +0.091 C 
ATOM     13  C   LIG    1        1.054  -1.132   1.199  0.00  0.00    +0.125 C 
ATOM     14  N   LIG    1        1.824   0.018   0.793  0.00  0.00    -0.327 N 
ATOM     15  C   LIG    1        0.702   0.615   0.115  0.00  0.00    +0.125 C 
BRANCH  14  16
ATOM     16  C   LIG    1        3.174   0.041   0.385  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1        4.072  -0.948   0.808  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1        5.412  -0.923   0.410  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        5.875   0.100  -0.413  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        5.001   1.099  -0.831  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        3.662   1.070  -0.431  0.00  0.00    +0.023 A 
ENDBRANCH  14  16
ENDBRANCH   2  12
TORSDOF 3