REMARK  Name = BDB046154
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.473  -0.929  -0.107  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        0.396  -1.932   0.870  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -0.813  -2.307   1.607  0.00  0.00    +0.084 A 
ATOM      4  N   LIG    1       -0.611  -3.287   2.498  0.00  0.00    -0.210 NA
ATOM      5  S   LIG    1        0.968  -3.779   2.456  0.00  0.00    +0.005 S 
ATOM      6  C   LIG    1       -2.034  -1.648   1.345  0.00  0.00    +0.037 A 
ATOM      7  C   LIG    1       -1.988  -0.652   0.341  0.00  0.00    -0.009 A 
ATOM      8  C   LIG    1        1.480  -2.692   1.244  0.00  0.00    +0.079 A 
ATOM      9  C   LIG    1       -0.777  -0.323  -0.355  0.00  0.00    +0.055 A 
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -3.208   0.060  -0.013  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -4.218   0.391   0.867  0.00  0.00    +0.116 A 
ATOM     12  N   LIG    1       -5.160   1.059   0.139  0.00  0.00    -0.274 N 
ATOM     13  C   LIG    1       -6.407   1.601   0.620  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1       -4.832   1.202  -1.157  0.00  0.00    -0.179 NA
ATOM     15  C   LIG    1       -3.650   0.587  -1.250  0.00  0.00    +0.142 A 
ENDBRANCH   7  10
BRANCH   1  16
ATOM     16  O   LIG    1        1.643  -0.654  -0.746  0.00  0.00    -0.488 OA
BRANCH  16  18
ATOM     17  C   LIG    1        1.755   0.746  -2.689  0.00  0.00    +0.052 C 
ATOM     18  C   LIG    1        1.865   0.698  -1.165  0.00  0.00    +0.175 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.260   1.173  -0.688  0.00  0.00    +0.055 C 
ATOM     20  C   LIG    1        4.394   0.170  -0.962  0.00  0.00    +0.104 C 
ATOM     21  C   LIG    1        4.532  -0.583   0.337  0.00  0.00    +0.213 C 
ATOM     22  O   LIG    1        5.155  -1.614   0.516  0.00  0.00    -0.276 OA
ATOM     23  N   LIG    1        3.867   0.119   1.315  0.00  0.00    -0.315 N 
ATOM     24  H   LIG    1        3.910  -0.174   2.283  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1        3.310   1.342   0.831  0.00  0.00    +0.111 C 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 4