REMARK  Name = BDB018836
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.034  -0.108  -0.703  0.00  0.00    +0.084 A 
ATOM      2  N   LIG    1       -0.755   0.313  -0.369  0.00  0.00    -0.224 NA
ATOM      3  C   LIG    1        0.149  -0.268  -1.122  0.00  0.00    +0.167 A 
ATOM      4  S   LIG    1       -0.490  -1.383  -2.265  0.00  0.00    -0.060 S 
ATOM      5  C   LIG    1       -2.077  -1.015  -1.742  0.00  0.00    +0.077 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1       -4.386  -0.278   0.233  0.00  0.00    +0.129 A 
ATOM      7  C   LIG    1       -3.202   0.448  -0.020  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -3.114   1.781   0.423  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -4.181   2.398   1.075  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -5.355   1.688   1.296  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -5.458   0.358   0.878  0.00  0.00    +0.046 A 
BRANCH   6  13
ATOM     12  C   LIG    1       -5.437  -2.417   0.391  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1       -4.429  -1.588  -0.175  0.00  0.00    -0.494 OA
ENDBRANCH   6  13
ENDBRANCH   1   7
BRANCH   3  14
ATOM     14  N   LIG    1        1.537  -0.101  -1.035  0.00  0.00    -0.252 N 
ATOM     15  C   LIG    1        1.962   0.893  -0.151  0.00  0.00    +0.242 C 
ATOM     16  O   LIG    1        1.349   1.953   0.037  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        2.478  -0.894  -1.819  0.00  0.00    +0.140 C 
BRANCH  15  18
ATOM     18  C   LIG    1        3.280   0.712   0.602  0.00  0.00    +0.170 C 
ATOM     19  N   LIG    1        3.847  -0.670   0.761  0.00  0.00    -0.258 N 
ATOM     20  C   LIG    1        5.328  -0.584   0.590  0.00  0.00    +0.117 C 
ATOM     21  C   LIG    1        5.648   0.902   0.576  0.00  0.00    +0.022 C 
ATOM     22  C   LIG    1        4.408   1.524  -0.033  0.00  0.00    +0.034 C 
BRANCH  19  23
ATOM     23  C   LIG    1        3.254  -1.616   1.505  0.00  0.00    +0.170 C 
ATOM     24  N   LIG    1        2.755  -2.443   2.140  0.00  0.00    -0.174 NA
ENDBRANCH  19  23
ENDBRANCH  15  18
ENDBRANCH   3  14
TORSDOF 5