REMARK  Name = BDB060852
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.242   2.128  -1.533  0.00  0.00    -0.078 S 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.459   1.973  -1.305  0.00  0.00    +0.190 A 
ATOM      3  N   LIG    1        2.006   1.141  -0.379  0.00  0.00    -0.316 N 
ATOM      4  H   LIG    1        1.496   0.518   0.233  0.00  0.00    +0.169 HD
ATOM      5  C   LIG    1        3.367   1.279  -0.484  0.00  0.00    +0.162 A 
ATOM      6  N   LIG    1        3.608   2.183  -1.420  0.00  0.00    -0.129 NA
ATOM      7  N   LIG    1        2.405   2.623  -1.932  0.00  0.00    -0.122 NA
BRANCH   5   8
ATOM      8  C   LIG    1        4.353   0.546   0.310  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        5.714   0.864   0.178  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        6.686   0.188   0.919  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        6.312  -0.819   1.804  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        4.966  -1.150   1.947  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        3.992  -0.473   1.205  0.00  0.00    +0.011 A 
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  14
ATOM     14  C   LIG    1       -0.745   0.405  -1.782  0.00  0.00    +0.157 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -0.945  -0.274  -0.440  0.00  0.00    +0.173 C 
ATOM     16  O   LIG    1        0.016  -0.584   0.270  0.00  0.00    -0.291 OA
BRANCH  15  19
ATOM     17  C   LIG    1       -4.717  -0.167   0.085  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1       -3.439   0.150  -0.389  0.00  0.00    +0.057 A 
ATOM     19  C   LIG    1       -2.324  -0.579   0.036  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1       -2.491  -1.618   0.960  0.00  0.00    +0.011 A 
ATOM     21  C   LIG    1       -3.764  -1.935   1.432  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -4.876  -1.214   0.993  0.00  0.00    +0.045 A 
BRANCH  17  24
ATOM     23  C   LIG    1       -7.035   0.371   0.059  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1       -5.717   0.622  -0.415  0.00  0.00    -0.495 OA
ENDBRANCH  17  24
ENDBRANCH  15  19
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 6