REMARK  Name = BDB018484
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.427   1.253   0.850  0.00  0.00    -0.002 A 
ATOM      2  C   LIG    1        1.143   1.954   0.654  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        1.147   3.301   0.719  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1        2.291   4.039   0.965  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1        2.183   5.489   1.023  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1        3.529   3.443   1.158  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1        4.576   4.042   1.383  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        3.548   1.962   1.079  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        2.853  -2.949   0.759  0.00  0.00    +0.214 A 
ATOM     10  N   LIG    1        3.080  -2.306   1.925  0.00  0.00    -0.221 NA
ATOM     11  C   LIG    1        2.944  -0.960   1.909  0.00  0.00    +0.123 A 
ATOM     12  C   LIG    1        2.596  -0.214   0.782  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        2.378  -0.917  -0.405  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        2.503  -2.305  -0.417  0.00  0.00    +0.068 A 
BRANCH   9  16
ATOM     15  C   LIG    1        3.325  -4.913   1.937  0.00  0.00    +0.279 C 
ATOM     16  O   LIG    1        2.965  -4.323   0.694  0.00  0.00    -0.480 OA
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   2  17
ATOM     17  C   LIG    1       -0.072   1.241   0.386  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1       -0.968   1.510  -0.625  0.00  0.00    +0.123 A 
ATOM     19  N   LIG    1       -1.917   0.509  -0.592  0.00  0.00    -0.237 N 
ATOM     20  N   LIG    1       -1.755  -0.293   0.483  0.00  0.00    -0.174 NA
ATOM     21  C   LIG    1       -0.619   0.125   1.046  0.00  0.00    +0.143 A 
BRANCH  19  22
ATOM     22  C   LIG    1       -3.058   0.377  -1.418  0.00  0.00    +0.090 A 
ATOM     23  C   LIG    1       -3.614  -0.873  -1.745  0.00  0.00    +0.113 A 
ATOM     24  C   LIG    1       -4.817  -0.922  -2.472  0.00  0.00    +0.029 A 
ATOM     25  C   LIG    1       -5.455   0.252  -2.874  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -4.885   1.487  -2.581  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -3.690   1.553  -1.863  0.00  0.00    +0.030 A 
BRANCH  23  28
ATOM     28  S   LIG    1       -2.718  -2.418  -1.584  0.00  0.00    -0.004 S 
ATOM     29  O   LIG    1       -3.305  -3.329  -2.556  0.00  0.00    -0.170 OA
ATOM     30  O   LIG    1       -1.298  -2.136  -1.677  0.00  0.00    -0.170 OA
ATOM     31  C   LIG    1       -3.132  -3.065   0.014  0.00  0.00    +0.200 C 
ENDBRANCH  23  28
ENDBRANCH  19  22
ENDBRANCH   2  17
TORSDOF 5