REMARK  Name = BDB064026
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.011  -2.908   3.079  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -0.653  -1.982   2.381  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1       -1.397  -1.280   1.300  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -2.639  -1.638   0.950  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1       -0.619  -0.258   0.800  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1        0.485  -0.323   1.483  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1        0.528  -1.314   2.400  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1        1.252  -1.498   3.070  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1       -3.476  -1.009  -0.086  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1       -4.864  -0.960   0.126  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -5.684  -0.394  -0.867  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -5.161   0.108  -2.061  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1       -6.090   0.633  -2.944  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1       -7.292   0.531  -2.425  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1       -3.771   0.037  -2.268  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1       -7.396  -0.189  -0.876  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1       -2.946  -0.524  -1.284  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1        1.518   0.536   1.295  0.00  0.00    -0.312 N 
ATOM     19  H   LIG    1        1.337   1.161   0.513  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.926   0.206   1.495  0.00  0.00    +0.098 C 
ATOM     21  C   LIG    1        3.413  -0.844   0.469  0.00  0.00    +0.182 C 
ATOM     22  O   LIG    1        4.733  -0.561   0.011  0.00  0.00    -0.378 OA
ATOM     23  C   LIG    1        4.795   0.309  -1.117  0.00  0.00    +0.160 C 
ATOM     24  C   LIG    1        3.828   1.490  -1.088  0.00  0.00    +0.028 C 
ATOM     25  C   LIG    1        3.825   2.294   0.209  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1        3.767   1.493   1.514  0.00  0.00    +0.024 C 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3