REMARK  Name = BDB016169
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.352   1.776   1.813  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -2.017   1.760   0.323  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -0.955   0.823   0.008  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.049   1.157   0.331  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.068  -0.570   0.104  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -2.284  -1.294   0.113  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -2.259  -2.700   0.232  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.067  -3.412   0.285  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        0.133  -2.727   0.212  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -3.591  -0.774   0.033  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -4.351  -1.430   0.169  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.082   0.459  -0.236  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -5.307   0.615  -0.219  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        0.156  -1.323   0.112  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -3.184   1.587  -0.617  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        1.482  -0.676   0.026  0.00  0.00    -0.016 A 
ATOM     17  C   LIG    1        2.321  -0.609   1.153  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1        3.575   0.004   1.077  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1        3.986   0.559  -0.134  0.00  0.00    +0.085 A 
ATOM     20  C   LIG    1        3.180   0.498  -1.270  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1        1.930  -0.118  -1.185  0.00  0.00    +0.010 A 
BRANCH  19  22
ATOM     22  S   LIG    1        5.585   1.301  -0.237  0.00  0.00    -0.013 S 
ATOM     23  H   LIG    1        6.351   0.709   0.709  0.00  0.00    +0.215 HD
ATOM     24  O   LIG    1        6.170   0.915  -1.506  0.00  0.00    -0.172 OA
ATOM     25  O   LIG    1        5.439   2.687   0.158  0.00  0.00    -0.172 OA
ENDBRANCH  19  22
ENDBRANCH  14  16
TORSDOF 2