REMARK  Name = BDB034845
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.212  -2.013   2.188  0.00  0.00    -0.155 NA
ATOM      2  C   LIG    1       -1.286  -1.976   1.486  0.00  0.00    +0.154 C 
ATOM      3  N   LIG    1       -1.896  -1.095   0.616  0.00  0.00    -0.278 N 
ATOM      4  C   LIG    1       -2.907  -1.683  -0.259  0.00  0.00    +0.124 C 
ATOM      5  C   LIG    1       -3.593  -2.763   0.565  0.00  0.00    +0.096 C 
ATOM      6  S   LIG    1       -2.261  -3.473   1.573  0.00  0.00    -0.091 S 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.591   0.258   0.411  0.00  0.00    +0.077 A 
ATOM      8  C   LIG    1       -1.249   0.778  -0.851  0.00  0.00    +0.138 A 
ATOM      9  C   LIG    1       -0.952   2.132  -1.028  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -0.996   2.998   0.062  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -1.333   2.509   1.321  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -1.629   1.154   1.490  0.00  0.00    +0.027 A 
BRANCH   8  13
ATOM     13  O   LIG    1       -1.166  -0.066  -1.928  0.00  0.00    -0.505 OA
ATOM     14  H   LIG    1       -0.619   0.368  -2.605  0.00  0.00    +0.292 HD
ENDBRANCH   8  13
ENDBRANCH   3   7
BRANCH   1  16
ATOM     15  O   LIG    1        0.735  -0.086   2.968  0.00  0.00    -0.268 OA
ATOM     16  C   LIG    1        0.651  -0.958   2.110  0.00  0.00    +0.271 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.518  -0.991   0.928  0.00  0.00    +0.065 A 
ATOM     18  C   LIG    1        2.322   0.083   0.422  0.00  0.00    +0.031 A 
ATOM     19  C   LIG    1        2.940  -0.375  -0.737  0.00  0.00    +0.139 A 
ATOM     20  N   LIG    1        3.764   0.306  -1.554  0.00  0.00    -0.237 NA
ATOM     21  C   LIG    1        3.987   1.574  -1.137  0.00  0.00    +0.113 A 
ATOM     22  C   LIG    1        3.440   2.163  -0.005  0.00  0.00    +0.020 A 
ATOM     23  N   LIG    1        2.569  -1.675  -0.929  0.00  0.00    -0.345 N 
ATOM     24  H   LIG    1        2.896  -2.241  -1.698  0.00  0.00    +0.167 HD
ATOM     25  C   LIG    1        2.583   1.412   0.800  0.00  0.00    +0.014 A 
ATOM     26  C   LIG    1        1.708  -2.063   0.062  0.00  0.00    +0.098 A 
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 4