REMARK  Name = BDB018840
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.187  -2.272   1.442  0.00  0.00    +0.140 C 
ATOM      2  N   LIG    1       -0.637  -1.400   0.358  0.00  0.00    -0.252 N 
ATOM      3  C   LIG    1       -1.992  -1.462   0.035  0.00  0.00    +0.242 C 
ATOM      4  O   LIG    1       -2.657  -2.459   0.352  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.340  -0.699  -0.344  0.00  0.00    +0.167 A 
ATOM      6  S   LIG    1        0.163  -0.286  -1.991  0.00  0.00    -0.060 S 
ATOM      7  C   LIG    1        1.744   0.369  -2.009  0.00  0.00    +0.076 A 
ATOM      8  C   LIG    1        2.334   0.205  -0.773  0.00  0.00    +0.080 A 
ATOM      9  N   LIG    1        1.527  -0.436   0.158  0.00  0.00    -0.224 NA
BRANCH   8  10
ATOM     10  C   LIG    1        3.690   0.626  -0.424  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        4.253   0.188   0.779  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1        5.537   0.592   1.104  0.00  0.00    +0.111 A 
ATOM     13  N   LIG    1        6.288   1.395   0.324  0.00  0.00    -0.263 NA
ATOM     14  C   LIG    1        5.730   1.812  -0.830  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1        4.453   1.462  -1.243  0.00  0.00    +0.030 A 
ENDBRANCH   8  10
ENDBRANCH   2   5
BRANCH   3  16
ATOM     16  C   LIG    1       -2.701  -0.231  -0.590  0.00  0.00    +0.170 C 
ATOM     17  N   LIG    1       -4.196  -0.393  -0.591  0.00  0.00    -0.258 N 
ATOM     18  C   LIG    1       -4.790   0.428   0.489  0.00  0.00    +0.117 C 
ATOM     19  C   LIG    1       -3.603   0.961   1.276  0.00  0.00    +0.022 C 
ATOM     20  C   LIG    1       -2.501   1.045   0.233  0.00  0.00    +0.034 C 
BRANCH  17  21
ATOM     21  C   LIG    1       -4.876  -1.218  -1.395  0.00  0.00    +0.170 C 
ATOM     22  N   LIG    1       -5.469  -1.899  -2.118  0.00  0.00    -0.174 NA
ENDBRANCH  17  21
ENDBRANCH   3  16
TORSDOF 4