REMARK  Name = BDB018193
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.968  -0.040  -0.639  0.00  0.00    +0.041 A 
ATOM      2  S   LIG    1       -0.461  -0.775  -0.018  0.00  0.00    -0.052 S 
ATOM      3  C   LIG    1       -1.351   0.619  -0.434  0.00  0.00    +0.165 A 
ATOM      4  N   LIG    1       -0.685   1.589  -0.996  0.00  0.00    -0.232 NA
ATOM      5  C   LIG    1        0.642   1.223  -1.106  0.00  0.00    +0.129 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        4.677  -0.620  -0.220  0.00  0.00    +0.037 A 
ATOM      7  C   LIG    1        3.420   0.004  -0.253  0.00  0.00    +0.022 A 
ATOM      8  C   LIG    1        2.267  -0.718  -0.595  0.00  0.00    -0.009 A 
ATOM      9  C   LIG    1        2.398  -2.080  -0.903  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        3.644  -2.711  -0.856  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        4.783  -1.984  -0.510  0.00  0.00    +0.013 A 
BRANCH   6  15
ATOM     12  C   LIG    1        8.260   0.589  -0.136  0.00  0.00    +0.128 C 
ATOM     13  N   LIG    1        7.078  -0.208  -0.349  0.00  0.00    -0.314 N 
ATOM     14  H   LIG    1        7.088  -0.864  -1.118  0.00  0.00    +0.149 HD
ATOM     15  C   LIG    1        5.861   0.200   0.159  0.00  0.00    +0.244 C 
ATOM     16  O   LIG    1        5.718   1.196   0.858  0.00  0.00    -0.270 OA
ENDBRANCH   6  15
ENDBRANCH   1   8
BRANCH   3  17
ATOM     17  N   LIG    1       -2.680   0.540  -0.116  0.00  0.00    -0.262 N 
ATOM     18  H   LIG    1       -2.965  -0.319   0.333  0.00  0.00    +0.157 HD
ATOM     19  C   LIG    1       -3.569   1.567  -0.377  0.00  0.00    +0.257 C 
ATOM     20  O   LIG    1       -3.285   2.634  -0.916  0.00  0.00    -0.272 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -5.008   1.289   0.073  0.00  0.00    +0.204 C 
ATOM     22  C   LIG    1       -5.099   1.067   1.589  0.00  0.00    +0.166 C 
ATOM     23  N   LIG    1       -6.037  -0.093   1.779  0.00  0.00    -0.266 N 
ATOM     24  C   LIG    1       -6.678  -0.353   0.464  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -5.605   0.029  -0.541  0.00  0.00    +0.071 C 
ATOM     26  F   LIG    1       -5.858   2.319  -0.244  0.00  0.00    -0.230 F 
BRANCH  23  27
ATOM     27  C   LIG    1       -6.633  -0.363   2.950  0.00  0.00    +0.169 C 
ATOM     28  N   LIG    1       -7.141  -0.600   3.961  0.00  0.00    -0.174 NA
ENDBRANCH  23  27
ENDBRANCH  19  21
ENDBRANCH   3  17
TORSDOF 5