REMARK  Name = BDB011495
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.594   0.520   0.608  0.00  0.00    +0.170 C 
ATOM      2  C   LIG    1        0.848   0.743  -0.717  0.00  0.00    +0.241 C 
ATOM      3  O   LIG    1        1.440   0.835  -1.797  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.549   0.745  -0.622  0.00  0.00    -0.264 N 
ATOM      5  C   LIG    1       -1.139   2.037  -0.344  0.00  0.00    +0.052 A 
ATOM      6  C   LIG    1       -0.989   2.660   0.918  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1       -1.617   3.906   1.183  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1       -2.297   4.566   0.156  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1       -2.436   3.969  -1.090  0.00  0.00    +0.004 A 
ATOM     10  S   LIG    1       -0.104   1.888   2.287  0.00  0.00    -0.119 S 
ATOM     11  C   LIG    1       -1.869   2.717  -1.334  0.00  0.00    +0.025 A 
ATOM     12  C   LIG    1        1.529   1.743   1.506  0.00  0.00    +0.106 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        3.355  -1.127   0.085  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.988   0.201   0.264  0.00  0.00    -0.302 N 
ATOM     15  H   LIG    1        3.431   0.857  -0.370  0.00  0.00    +0.150 HD
ATOM     16  O   LIG    1        2.617  -2.057   0.399  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        4.754  -1.293  -0.557  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        4.601  -1.245  -2.076  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        5.747  -2.593   1.247  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        5.404  -2.561  -0.169  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        6.248  -2.694  -0.722  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   7  22
ATOM     22  N   LIG    1       -1.395   4.603   2.392  0.00  0.00    -0.357 N 
ATOM     23  H   LIG    1       -2.161   5.214   2.655  0.00  0.00    +0.142 HD
ATOM     24  H   LIG    1       -1.138   3.959   3.141  0.00  0.00    +0.142 HD
ENDBRANCH   7  22
BRANCH   4  25
ATOM     25  C   LIG    1       -1.179  -0.116  -1.632  0.00  0.00    +0.149 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.552  -0.623  -1.227  0.00  0.00    -0.022 A 
ATOM     27  C   LIG    1       -2.737  -1.528  -0.140  0.00  0.00    -0.013 A 
ATOM     28  C   LIG    1       -4.056  -1.926   0.199  0.00  0.00    -0.018 A 
ATOM     29  C   LIG    1       -4.274  -2.806   1.272  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1       -3.209  -3.312   2.015  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -1.911  -2.947   1.689  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -5.145  -1.446  -0.541  0.00  0.00    +0.008 A 
ATOM     33  C   LIG    1       -4.954  -0.586  -1.617  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1       -1.679  -2.071   0.626  0.00  0.00    +0.009 A 
ATOM     35  C   LIG    1       -3.669  -0.181  -1.960  0.00  0.00    +0.006 A 
ENDBRANCH  25  26
ENDBRANCH   4  25
TORSDOF 6