REMARK  Name = BDB020954
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.939  -0.262   1.149  0.00  0.00    -0.307 N 
ATOM      2  C   LIG    1        4.122   0.627  -0.006  0.00  0.00    +0.126 C 
ATOM      3  C   LIG    1        3.057   1.737  -0.061  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1        1.691   1.216   0.038  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1        0.689   1.784  -0.733  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1        0.902   2.735  -1.485  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        1.494   0.090   0.961  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1        2.687  -0.151   1.904  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   1  11
ATOM      9  C   LIG    1        6.986  -2.297   2.106  0.00  0.00    +0.110 A 
ATOM     10  S   LIG    1        6.448  -1.306   0.827  0.00  0.00    -0.042 S 
ATOM     11  C   LIG    1        4.945  -1.030   1.652  0.00  0.00    +0.162 A 
ATOM     12  N   LIG    1        4.862  -1.657   2.809  0.00  0.00    -0.232 NA
ATOM     13  C   LIG    1        6.013  -2.371   3.072  0.00  0.00    +0.139 A 
BRANCH   9  15
ATOM     14  N   LIG    1        9.281  -3.476   2.200  0.00  0.00    -0.190 NA
ATOM     15  C   LIG    1        8.251  -2.944   2.151  0.00  0.00    +0.108 C 
ENDBRANCH   9  15
ENDBRANCH   1  11
BRANCH   5  16
ATOM     16  C   LIG    1       -0.691   1.162  -0.617  0.00  0.00    +0.103 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.700   1.845  -1.536  0.00  0.00    +0.083 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.985   1.059  -1.543  0.00  0.00    +0.111 A 
ATOM     19  N   LIG    1       -3.131   0.159  -2.563  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -2.433   0.069  -3.287  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1       -4.233  -0.647  -2.701  0.00  0.00    +0.259 A 
ATOM     22  O   LIG    1       -4.345  -1.441  -3.627  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1       -5.265  -0.496  -1.662  0.00  0.00    +0.065 A 
ATOM     24  C   LIG    1       -5.027   0.441  -0.652  0.00  0.00    +0.078 A 
ATOM     25  C   LIG    1       -5.991   0.605   0.344  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1       -7.166  -0.152   0.329  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -7.389  -1.084  -0.686  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -6.436  -1.259  -1.689  0.00  0.00    +0.015 A 
ATOM     29  N   LIG    1       -3.857   1.219  -0.603  0.00  0.00    -0.234 NA
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   5  16
TORSDOF 5