REMARK  Name = BDB018838
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.887   1.514   0.050  0.00  0.00    +0.140 C 
ATOM      2  N   LIG    1       -0.678   0.102   0.381  0.00  0.00    -0.252 N 
ATOM      3  C   LIG    1       -1.649  -0.645   1.071  0.00  0.00    +0.242 C 
ATOM      4  O   LIG    1       -1.436  -1.716   1.646  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.618  -0.402   0.204  0.00  0.00    +0.167 A 
ATOM      6  S   LIG    1        0.958  -2.080   0.161  0.00  0.00    -0.060 S 
ATOM      7  C   LIG    1        2.605  -1.746  -0.167  0.00  0.00    +0.078 A 
ATOM      8  C   LIG    1        2.804  -0.382  -0.244  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1        1.652   0.371  -0.049  0.00  0.00    -0.223 NA
BRANCH   8  10
ATOM     10  C   LIG    1        4.096   0.247  -0.529  0.00  0.00    +0.090 A 
ATOM     11  N   LIG    1        4.042   1.472  -1.112  0.00  0.00    -0.253 NA
ATOM     12  C   LIG    1        5.212   2.084  -1.391  0.00  0.00    +0.111 A 
ATOM     13  C   LIG    1        6.453   1.537  -1.116  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        6.497   0.286  -0.514  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        5.305  -0.371  -0.213  0.00  0.00    +0.030 A 
ENDBRANCH   8  10
ENDBRANCH   2   5
BRANCH   3  16
ATOM     16  C   LIG    1       -3.074  -0.054   1.112  0.00  0.00    +0.170 C 
ATOM     17  N   LIG    1       -3.883  -0.295  -0.140  0.00  0.00    -0.258 N 
ATOM     18  C   LIG    1       -5.239  -0.768   0.260  0.00  0.00    +0.117 C 
ATOM     19  C   LIG    1       -5.347  -0.437   1.738  0.00  0.00    +0.022 C 
ATOM     20  C   LIG    1       -3.933  -0.677   2.225  0.00  0.00    +0.034 C 
BRANCH  17  21
ATOM     21  C   LIG    1       -3.370  -0.532  -1.356  0.00  0.00    +0.170 C 
ATOM     22  N   LIG    1       -2.925  -0.723  -2.406  0.00  0.00    -0.174 NA
ENDBRANCH  17  21
ENDBRANCH   3  16
TORSDOF 4