REMARK  Name = BDB028682
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.283  -0.799  -1.412  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1       -1.015  -0.823  -0.839  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1       -1.633   0.287  -1.381  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1       -2.942   0.676  -1.109  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1       -3.659  -0.134  -0.213  0.00  0.00    -0.019 A 
ATOM      6  C   LIG    1       -3.048  -1.271   0.360  0.00  0.00    +0.052 A 
ATOM      7  O   LIG    1       -0.764   0.928  -2.206  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1       -1.726  -1.644   0.056  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1        0.443   0.251  -2.222  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1        1.260  -1.743  -1.136  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1        1.050  -2.482  -0.466  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1        2.788  -1.767  -1.783  0.00  0.00    +0.074 S 
ATOM     13  O   LIG    1        2.714  -1.689  -3.225  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1        3.479  -2.866  -1.140  0.00  0.00    -0.150 OA
BRANCH  12  20
ATOM     15  C   LIG    1        5.401   2.532   1.733  0.00  0.00    +0.196 A 
ATOM     16  O   LIG    1        5.258   3.033   0.465  0.00  0.00    -0.440 OA
ATOM     17  C   LIG    1        4.674   2.012  -0.225  0.00  0.00    +0.155 A 
ATOM     18  C   LIG    1        4.495   0.954   0.653  0.00  0.00    +0.111 A 
ATOM     19  C   LIG    1        3.910  -0.229   0.189  0.00  0.00    +0.060 A 
ATOM     20  C   LIG    1        3.519  -0.270  -1.160  0.00  0.00    +0.111 A 
ATOM     21  C   LIG    1        3.726   0.816  -2.027  0.00  0.00    +0.032 A 
ATOM     22  C   LIG    1        4.313   2.001  -1.567  0.00  0.00    +0.050 A 
ATOM     23  N   LIG    1        4.960   1.298   1.896  0.00  0.00    -0.213 NA
BRANCH  15  25
ATOM     24  C   LIG    1        4.980   4.320   3.398  0.00  0.00    +0.013 C 
ATOM     25  C   LIG    1        6.020   3.434   2.734  0.00  0.00    +0.093 C 
ENDBRANCH  15  25
ENDBRANCH  12  20
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   8  26
ATOM     26  O   LIG    1       -1.069  -2.730   0.569  0.00  0.00    -0.494 OA
ATOM     27  C   LIG    1       -1.856  -3.672   1.292  0.00  0.00    +0.277 C 
ENDBRANCH   8  26
BRANCH   5  28
ATOM     28  C   LIG    1       -5.088   0.215   0.143  0.00  0.00    +0.178 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -6.025  -0.777  -0.367  0.00  0.00    -0.267 N 
ATOM     30  N   LIG    1       -6.459  -1.773   0.435  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1       -7.296  -2.463  -0.344  0.00  0.00    +0.134 A 
ATOM     32  C   LIG    1       -7.404  -1.914  -1.635  0.00  0.00    +0.041 A 
ATOM     33  C   LIG    1       -6.572  -0.819  -1.619  0.00  0.00    +0.108 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 7