REMARK  Name = BDB036447
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.371  -1.784   0.349  0.00  0.00    +0.142 A 
ATOM      2  C   LIG    1        2.747  -0.461   0.714  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1        1.759   0.506   0.947  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1        0.436   0.106   0.787  0.00  0.00    +0.171 A 
ATOM      5  C   LIG    1        0.037  -1.165   0.420  0.00  0.00    +0.068 A 
ATOM      6  C   LIG    1       -1.380  -1.080   0.390  0.00  0.00    +0.188 A 
ATOM      7  N   LIG    1       -1.801   0.148   0.704  0.00  0.00    -0.061 NA
ATOM      8  O   LIG    1       -0.661   0.887   0.963  0.00  0.00    -0.353 OA
ATOM      9  C   LIG    1        1.021  -2.146   0.196  0.00  0.00    +0.062 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        3.128  -3.981  -0.228  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1        3.431  -2.650   0.173  0.00  0.00    -0.493 OA
ENDBRANCH   1  11
BRANCH   2  12
ATOM     12  N   LIG    1        4.135  -0.173   0.815  0.00  0.00    -0.297 N 
ATOM     13  H   LIG    1        4.665  -1.048   0.818  0.00  0.00    +0.154 HD
BRANCH  12  14
ATOM     14  C   LIG    1        4.776   1.014   0.719  0.00  0.00    +0.119 A 
ATOM     15  N   LIG    1        6.107   1.099   1.035  0.00  0.00    -0.264 N 
ATOM     16  H   LIG    1        6.708   0.358   1.374  0.00  0.00    +0.190 HD
ATOM     17  N   LIG    1        6.635   2.326   0.886  0.00  0.00    -0.178 NA
ATOM     18  C   LIG    1        5.608   3.059   0.442  0.00  0.00    +0.062 A 
ATOM     19  C   LIG    1        5.793   4.497   0.137  0.00  0.00    +0.067 C 
ATOM     20  C   LIG    1        4.429   2.284   0.317  0.00  0.00    +0.068 A 
ENDBRANCH  12  14
ENDBRANCH   2  12
BRANCH   6  21
ATOM     21  N   LIG    1       -2.220  -2.126   0.037  0.00  0.00    -0.196 N 
ATOM     22  H   LIG    1       -1.852  -3.026  -0.248  0.00  0.00    +0.175 HD
BRANCH  21  23
ATOM     23  S   LIG    1       -3.880  -2.114   0.258  0.00  0.00    +0.077 S 
ATOM     24  O   LIG    1       -4.127  -1.763   1.639  0.00  0.00    -0.150 OA
ATOM     25  O   LIG    1       -4.327  -3.385  -0.279  0.00  0.00    -0.150 OA
BRANCH  23  26
ATOM     26  C   LIG    1       -4.454  -0.863  -0.857  0.00  0.00    +0.150 A 
ATOM     27  C   LIG    1       -5.402   0.086  -0.474  0.00  0.00    +0.147 A 
ATOM     28  C   LIG    1       -5.829   1.049  -1.396  0.00  0.00    +0.047 A 
ATOM     29  C   LIG    1       -5.291   1.081  -2.683  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -4.340   0.138  -3.065  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -3.926  -0.839  -2.158  0.00  0.00    +0.032 A 
BRANCH  27  32
ATOM     32  O   LIG    1       -6.016   0.039   0.745  0.00  0.00    -0.493 OA
ATOM     33  C   LIG    1       -5.548   1.089   1.595  0.00  0.00    +0.277 C 
ENDBRANCH  27  32
ENDBRANCH  23  26
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 7