REMARK  Name = BDB031341
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.982   1.968   1.705  0.00  0.00    -0.216 N 
ATOM      2  H   LIG    1        1.415   2.779   1.265  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1  11
ATOM      3  O   LIG    1        3.108  -3.256  -2.636  0.00  0.00    -0.247 OA
ATOM      4  C   LIG    1        2.751  -2.535  -1.722  0.00  0.00    +0.325 A 
ATOM      5  N   LIG    1        2.541  -1.149  -1.782  0.00  0.00    -0.306 N 
ATOM      6  H   LIG    1        2.662  -0.605  -2.621  0.00  0.00    +0.170 HD
ATOM      7  C   LIG    1        2.132  -0.704  -0.530  0.00  0.00    +0.069 A 
ATOM      8  C   LIG    1        2.085  -1.807   0.322  0.00  0.00    +0.067 A 
ATOM      9  C   LIG    1        1.704  -1.702   1.638  0.00  0.00    +0.029 A 
ATOM     10  C   LIG    1        1.355  -0.424   2.087  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1        1.408   0.695   1.224  0.00  0.00    +0.050 A 
ATOM     12  C   LIG    1        1.802   0.564  -0.113  0.00  0.00    +0.052 A 
ATOM     13  N   LIG    1        2.467  -2.927  -0.406  0.00  0.00    -0.306 N 
ATOM     14  H   LIG    1        2.532  -3.878  -0.080  0.00  0.00    +0.170 HD
ENDBRANCH   1  11
BRANCH   1  15
ATOM     15  S   LIG    1       -0.690   2.214   1.866  0.00  0.00    +0.076 S 
ATOM     16  O   LIG    1       -0.861   3.614   2.189  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1       -1.274   1.165   2.669  0.00  0.00    -0.150 OA
BRANCH  15  18
ATOM     18  C   LIG    1       -1.404   2.058   0.317  0.00  0.00    +0.154 A 
ATOM     19  C   LIG    1       -1.822   0.867  -0.336  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1       -2.258   1.278  -1.593  0.00  0.00    +0.137 A 
ATOM     21  C   LIG    1       -2.739   0.416  -2.576  0.00  0.00    +0.047 A 
ATOM     22  C   LIG    1       -2.774  -0.944  -2.255  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -2.353  -1.400  -1.005  0.00  0.00    +0.001 A 
ATOM     24  O   LIG    1       -2.142   2.629  -1.724  0.00  0.00    -0.461 OA
ATOM     25  C   LIG    1       -1.877  -0.508  -0.033  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1       -1.631   3.096  -0.556  0.00  0.00    +0.225 A 
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 3