REMARK  Name = BDB028807
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.603   0.662   1.739  0.00  0.00    -0.110 S 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.780  -0.325   1.129  0.00  0.00    +0.035 A 
ATOM      3  C   LIG    1        1.700   0.120   0.160  0.00  0.00    +0.084 A 
ATOM      4  C   LIG    1        2.745  -0.763  -0.204  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        3.676  -0.348  -1.166  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        3.570   0.910  -1.740  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1        2.528   1.714  -1.332  0.00  0.00    +0.111 A 
ATOM      8  C   LIG    1        2.857  -2.032   0.387  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        1.946  -2.444   1.352  0.00  0.00    +0.002 A 
ATOM     10  N   LIG    1        1.608   1.343  -0.416  0.00  0.00    -0.254 NA
ATOM     11  C   LIG    1        0.915  -1.591   1.726  0.00  0.00    +0.017 A 
ENDBRANCH   1   2
BRANCH   1  18
ATOM     12  O   LIG    1       -5.209  -0.427   0.386  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -4.076   0.041   0.312  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -3.819   1.333   0.694  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -4.622   1.875   0.982  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -2.640   2.034   0.578  0.00  0.00    +0.233 C 
ATOM     17  O   LIG    1       -2.618   3.242   0.807  0.00  0.00    -0.274 OA
ATOM     18  C   LIG    1       -1.402   1.236   0.179  0.00  0.00    +0.138 C 
ATOM     19  C   LIG    1       -1.822   0.112  -0.770  0.00  0.00    +0.033 C 
ATOM     20  C   LIG    1       -2.899  -0.775  -0.163  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
TORSDOF 2