REMARK  Name = BDB063965
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.154   2.296  -3.178  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.909   1.943  -2.042  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.732   1.113  -1.119  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.919   0.613  -1.484  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        1.084   0.999   0.093  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.013   1.674  -0.063  0.00  0.00    +0.187 C 
ATOM      7  N   LIG    1       -0.184   2.218  -1.286  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -0.920   2.836  -1.576  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.809  -0.204  -0.646  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        5.193   0.018  -0.730  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        6.058  -0.784   0.036  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.582  -1.803   0.863  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.551  -2.515   1.550  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        7.737  -2.039   1.250  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        4.193  -2.026   0.928  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        7.778  -0.732   0.145  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        3.324  -1.229   0.171  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -0.939   1.832   0.917  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1       -0.630   1.388   1.781  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.365   1.588   0.688  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.630   0.106   0.336  0.00  0.00    +0.162 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.113  -0.169   0.223  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1       -4.893  -0.448   1.356  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1       -6.266  -0.667   1.240  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.880  -0.606  -0.009  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -6.120  -0.330  -1.143  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.745  -0.109  -1.029  0.00  0.00    +0.006 A 
ENDBRANCH  21  22
BRANCH  21  28
ATOM     28  O   LIG    1       -2.051  -0.738   1.339  0.00  0.00    -0.386 OA
ATOM     29  H   LIG    1       -1.093  -0.754   1.160  0.00  0.00    +0.210 HD
ENDBRANCH  21  28
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 6