REMARK  Name = BDB016294
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.292  -1.654   2.086  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -1.788  -0.219   2.223  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -0.883   0.151   1.148  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.019  -0.388   1.202  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.272   0.339  -0.187  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -2.599   0.537  -0.639  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -2.855   0.660  -2.022  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.833   0.659  -2.964  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -0.521   0.552  -2.538  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -3.768   0.616   0.143  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -4.649   0.646  -0.355  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -3.981   0.719   1.476  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -5.147   0.770   1.880  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.230   0.411  -1.171  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1       -2.844   0.838   2.433  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        1.178   0.365  -0.798  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1        2.103  -0.512  -1.320  0.00  0.00    +0.144 A 
ATOM     18  N   LIG    1        3.296  -0.211  -0.711  0.00  0.00    -0.141 N 
ATOM     19  N   LIG    1        3.200   0.799   0.194  0.00  0.00    -0.158 NA
ATOM     20  C   LIG    1        1.912   1.151   0.122  0.00  0.00    +0.144 A 
BRANCH  18  21
ATOM     21  S   LIG    1        4.731  -1.096  -1.056  0.00  0.00    +0.067 S 
ATOM     22  O   LIG    1        4.951  -0.894  -2.478  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1        4.486  -2.418  -0.509  0.00  0.00    -0.152 OA
ATOM     24  C   LIG    1        6.051  -0.333  -0.155  0.00  0.00    +0.223 C 
ENDBRANCH  18  21
ENDBRANCH  14  16
TORSDOF 2