REMARK  Name = BDB018867
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.225   0.140  -0.758  0.00  0.00    +0.167 A 
ATOM      2  S   LIG    1        0.458   1.812  -0.500  0.00  0.00    -0.060 S 
ATOM      3  C   LIG    1        1.969   1.500   0.242  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1        2.236   0.146   0.210  0.00  0.00    +0.080 A 
ATOM      5  N   LIG    1        1.236  -0.613  -0.380  0.00  0.00    -0.224 NA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        3.443  -0.491   0.734  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1        4.560   0.238   1.150  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1        5.665  -0.454   1.635  0.00  0.00    +0.141 A 
ATOM      9  N   LIG    1        5.723  -1.803   1.729  0.00  0.00    -0.245 NA
ATOM     10  C   LIG    1        4.638  -2.489   1.317  0.00  0.00    +0.113 A 
ATOM     11  C   LIG    1        3.495  -1.887   0.821  0.00  0.00    +0.030 A 
BRANCH   8  12
ATOM     12  C   LIG    1        6.833   0.258   2.075  0.00  0.00    +0.119 C 
ATOM     13  N   LIG    1        7.751   0.882   2.420  0.00  0.00    -0.189 NA
ENDBRANCH   8  12
ENDBRANCH   4   6
BRANCH   1  15
ATOM     14  C   LIG    1       -0.685  -1.612  -2.187  0.00  0.00    +0.140 C 
ATOM     15  N   LIG    1       -0.874  -0.364  -1.450  0.00  0.00    -0.252 N 
ATOM     16  C   LIG    1       -2.095   0.284  -1.634  0.00  0.00    +0.242 C 
ATOM     17  O   LIG    1       -2.777   0.037  -2.639  0.00  0.00    -0.273 OA
BRANCH  16  18
ATOM     18  C   LIG    1       -2.669   1.201  -0.521  0.00  0.00    +0.170 C 
ATOM     19  N   LIG    1       -4.105   1.560  -0.785  0.00  0.00    -0.258 N 
ATOM     20  C   LIG    1       -4.991   0.768   0.099  0.00  0.00    +0.117 C 
ATOM     21  C   LIG    1       -4.071  -0.229   0.785  0.00  0.00    +0.022 C 
ATOM     22  C   LIG    1       -2.740   0.502   0.840  0.00  0.00    +0.034 C 
BRANCH  19  23
ATOM     23  C   LIG    1       -4.520   2.414  -1.727  0.00  0.00    +0.170 C 
ATOM     24  N   LIG    1       -4.877   3.184  -2.513  0.00  0.00    -0.174 NA
ENDBRANCH  19  23
ENDBRANCH  16  18
ENDBRANCH   1  15
TORSDOF 5