REMARK  Name = BDB063894
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.566   0.929   0.324  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1       -0.659   2.139   0.918  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -1.490   2.615   1.216  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        0.578   2.691   0.989  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        0.901   3.774   1.432  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.431   1.637   0.376  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        2.755   1.787   0.243  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        0.639   0.578  -0.014  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        3.693   0.826  -0.360  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        3.542  -0.561  -0.208  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        4.499  -1.417  -0.784  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.599  -0.927  -1.490  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.457  -1.890  -2.000  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        6.010  -3.083  -1.683  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.750   0.466  -1.621  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        4.563  -3.140  -0.770  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        4.801   1.326  -1.052  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -1.649   0.146   0.093  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1       -1.374  -0.771  -0.249  0.00  0.00    +0.149 HD
BRANCH  18  21
ATOM     20  C   LIG    1       -4.018  -0.561   0.099  0.00  0.00    +0.138 C 
ATOM     21  C   LIG    1       -2.884   0.167   0.866  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1       -2.710  -0.602   2.185  0.00  0.00    +0.025 C 
ATOM     23  C   LIG    1       -3.602  -1.832   2.069  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1       -4.737  -1.363   1.178  0.00  0.00    +0.033 C 
BRANCH  20  26
ATOM     25  C   LIG    1       -4.409   0.967  -1.674  0.00  0.00    +0.194 C 
ATOM     26  O   LIG    1       -4.945   0.327  -0.521  0.00  0.00    -0.378 OA
ENDBRANCH  20  26
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 4