REMARK  Name = BDB026481
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.253  -1.026  -0.844  0.00  0.00    -0.280 N 
ATOM      2  C   LIG    1        0.954  -1.381  -0.466  0.00  0.00    +0.305 C 
ATOM      3  O   LIG    1        0.644  -2.138   0.440  0.00  0.00    -0.252 OA
ATOM      4  N   LIG    1        0.074  -0.725  -1.337  0.00  0.00    -0.281 N 
ATOM      5  C   LIG    1        0.798   0.209  -2.169  0.00  0.00    +0.128 C 
ATOM      6  C   LIG    1        2.226  -0.312  -2.103  0.00  0.00    +0.128 C 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        3.408  -1.763  -0.378  0.00  0.00    +0.144 C 
BRANCH   7  11
ATOM      8  C   LIG    1        6.933   0.694  -0.121  0.00  0.00    +0.088 A 
ATOM      9  C   LIG    1        5.820   0.997   0.665  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1        4.685   0.191   0.584  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        4.649  -0.908  -0.290  0.00  0.00    -0.030 A 
ATOM     12  C   LIG    1        5.771  -1.189  -1.083  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1        6.912  -0.389  -1.004  0.00  0.00    +0.027 A 
BRANCH   8  15
ATOM     14  C   LIG    1        9.266   1.057   1.350  0.00  0.00    +0.200 C 
ATOM     15  S   LIG    1        8.374   1.727  -0.029  0.00  0.00    -0.006 S 
ATOM     16  O   LIG    1        7.932   3.063   0.322  0.00  0.00    -0.170 OA
ATOM     17  O   LIG    1        9.159   1.496  -1.227  0.00  0.00    -0.170 OA
ENDBRANCH   8  15
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   4  18
ATOM     18  C   LIG    1       -1.350  -0.608  -1.059  0.00  0.00    +0.142 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.710   0.612  -0.191  0.00  0.00    +0.146 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -0.995   0.586   1.052  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1       -1.285  -0.233   1.501  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -3.221   0.739   0.111  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.738  -0.362   0.959  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -4.703   0.146   1.954  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -6.032   0.504   1.333  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -6.602  -0.429   0.453  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -7.847  -0.178  -0.124  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -8.513   1.014   0.163  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -7.945   1.946   1.033  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.840  -1.706   0.228  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -6.707   1.691   1.624  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -4.314  -1.468   0.155  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 8