REMARK  Name = BDB058038
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.800   0.687   0.698  0.00  0.00    +0.079 A 
ATOM      2  C   LIG    1       -3.009  -0.165  -0.052  0.00  0.00    +0.152 A 
ATOM      3  O   LIG    1       -1.632  -0.214  -0.071  0.00  0.00    -0.451 OA
ATOM      4  C   LIG    1       -1.290  -1.216  -0.971  0.00  0.00    +0.176 C 
ATOM      5  C   LIG    1       -2.505  -1.841  -1.550  0.00  0.00    +0.231 C 
ATOM      6  O   LIG    1       -2.593  -2.740  -2.356  0.00  0.00    -0.283 OA
ATOM      7  C   LIG    1       -0.045  -1.600  -1.280  0.00  0.00    +0.058 C 
ATOM      8  C   LIG    1       -3.587  -1.103  -0.909  0.00  0.00    +0.068 A 
ATOM      9  C   LIG    1       -4.952  -1.239  -1.067  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -5.765  -0.385  -0.322  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -5.195   0.567   0.549  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        1.170  -1.003  -0.717  0.00  0.00    -0.021 A 
ATOM     13  C   LIG    1        1.381   0.381  -0.713  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        2.561   0.925  -0.191  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        3.551   0.081   0.327  0.00  0.00    +0.067 A 
ATOM     16  C   LIG    1        3.349  -1.307   0.312  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1        2.168  -1.842  -0.213  0.00  0.00    +0.010 A 
BRANCH  15  18
ATOM     18  N   LIG    1        4.758   0.603   0.862  0.00  0.00    -0.220 N 
ATOM     19  N   LIG    1        5.724  -0.201   1.374  0.00  0.00    -0.154 NA
ATOM     20  C   LIG    1        6.651   0.677   1.757  0.00  0.00    +0.245 A 
ATOM     21  N   LIG    1        6.349   1.985   1.529  0.00  0.00    -0.222 NA
ATOM     22  C   LIG    1        5.163   1.912   0.970  0.00  0.00    +0.225 A 
ENDBRANCH  15  18
ENDBRANCH   7  12
BRANCH   1  26
ATOM     23  N   LIG    1       -1.925   1.741   1.869  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1       -1.587   2.403   2.556  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -1.277   1.061   1.495  0.00  0.00    +0.145 HD
ATOM     26  C   LIG    1       -3.270   1.709   1.637  0.00  0.00    +0.245 C 
ATOM     27  O   LIG    1       -4.016   2.501   2.201  0.00  0.00    -0.270 OA
ENDBRANCH   1  26
TORSDOF 3