REMARK  Name = BDB003546
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.612  -1.127   0.307  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1       -2.159   0.126   0.758  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1       -0.789   0.416   0.809  0.00  0.00    +0.101 A 
ATOM      4  C   LIG    1        0.137  -0.558   0.424  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1       -0.302  -1.817  -0.004  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -1.668  -2.094  -0.071  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -4.900  -0.928  -0.770  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -4.051  -1.426   0.246  0.00  0.00    -0.004 A 
ATOM      9  C   LIG    1       -4.610  -2.245   1.247  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -5.967  -2.571   1.242  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -6.791  -2.090   0.231  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -6.260  -1.278  -0.772  0.00  0.00    +0.015 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -5.247   1.605  -1.805  0.00  0.00    +0.090 C 
ATOM     14  S   LIG    1       -4.282   0.102  -2.108  0.00  0.00    -0.128 S 
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  15
ATOM     15  S   LIG    1       -0.220   2.025   1.286  0.00  0.00    -0.005 S 
ATOM     16  O   LIG    1        0.124   1.966   2.691  0.00  0.00    -0.170 OA
ATOM     17  O   LIG    1        0.721   2.465   0.273  0.00  0.00    -0.170 OA
ATOM     18  C   LIG    1       -1.603   3.122   1.146  0.00  0.00    +0.200 C 
ENDBRANCH   3  15
BRANCH   4  19
ATOM     19  C   LIG    1        1.592  -0.361   0.539  0.00  0.00    +0.248 C 
ATOM     20  N   LIG    1        2.335  -0.147  -0.622  0.00  0.00    -0.297 N 
ATOM     21  C   LIG    1        1.737   0.209  -1.904  0.00  0.00    +0.132 C 
ATOM     22  O   LIG    1        2.060  -0.469   1.668  0.00  0.00    -0.270 OA
BRANCH  20  23
ATOM     23  C   LIG    1        3.795   0.027  -0.526  0.00  0.00    +0.076 C 
ATOM     24  C   LIG    1        4.515  -1.202   0.045  0.00  0.00    +0.022 C 
ATOM     25  C   LIG    1        6.036  -1.069  -0.079  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1        6.535   0.375   0.013  0.00  0.00    +0.000 C 
ATOM     27  C   LIG    1        5.595   1.256   0.824  0.00  0.00    +0.002 C 
ATOM     28  C   LIG    1        4.196   1.322   0.206  0.00  0.00    +0.022 C 
ENDBRANCH  20  23
ENDBRANCH   4  19
TORSDOF 5