REMARK  Name = BDB012958
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.284   0.874  -1.413  0.00  0.00    +0.092 C 
ATOM      2  C   LIG    1       -1.257  -0.265  -1.281  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -0.883  -0.593  -2.657  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1        0.324  -1.145  -3.058  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        0.724  -1.033  -4.214  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -1.688   0.159  -3.602  0.00  0.00    +0.110 C 
ATOM      7  C   LIG    1       -2.890   0.616  -2.793  0.00  0.00    +0.043 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        1.076  -1.842  -2.051  0.00  0.00    +0.121 A 
ATOM      9  N   LIG    1        0.584  -2.833  -1.250  0.00  0.00    -0.272 N 
ATOM     10  H   LIG    1       -0.351  -3.224  -1.256  0.00  0.00    +0.189 HD
ATOM     11  N   LIG    1        1.468  -3.308  -0.358  0.00  0.00    -0.178 NA
ATOM     12  C   LIG    1        2.584  -2.612  -0.615  0.00  0.00    +0.064 A 
ATOM     13  C   LIG    1        2.404  -1.723  -1.700  0.00  0.00    +0.057 A 
BRANCH  12  14
ATOM     14  C   LIG    1        3.808  -2.796   0.218  0.00  0.00    +0.062 C 
BRANCH  14  15
ATOM     15  C   LIG    1        3.667  -2.220   1.633  0.00  0.00    +0.041 C 
BRANCH  15  16
ATOM     16  C   LIG    1        3.486  -0.719   1.658  0.00  0.00    -0.047 A 
ATOM     17  C   LIG    1        2.201  -0.165   1.755  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1        2.023   1.218   1.747  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        3.127   2.062   1.643  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        4.409   1.522   1.544  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        4.589   0.137   1.550  0.00  0.00    +0.003 A 
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  12  14
ENDBRANCH   4   8
BRANCH   1  24
ATOM     22  O   LIG    1       -1.771   1.106   1.356  0.00  0.00    -0.276 OA
ATOM     23  C   LIG    1       -2.921   1.110   0.944  0.00  0.00    +0.216 C 
ATOM     24  N   LIG    1       -3.285   0.910  -0.366  0.00  0.00    -0.311 N 
ATOM     25  H   LIG    1       -4.250   1.090  -0.613  0.00  0.00    +0.149 HD
BRANCH  23  26
ATOM     26  C   LIG    1       -4.062   1.317   1.868  0.00  0.00    +0.075 C 
ATOM     27  C   LIG    1       -5.068   2.422   1.638  0.00  0.00    +0.013 C 
ATOM     28  C   LIG    1       -4.084   2.533   2.764  0.00  0.00    +0.013 C 
ENDBRANCH  23  26
ENDBRANCH   1  24
TORSDOF 6