REMARK  Name = BDB050309
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.188   0.092   0.746  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -2.979   0.205   0.029  0.00  0.00    +0.084 A 
ATOM      3  C   LIG    1       -1.889   0.836   0.680  0.00  0.00    +0.002 A 
ATOM      4  C   LIG    1       -0.667   0.964   0.001  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1       -0.534   0.475  -1.297  0.00  0.00    +0.055 A 
ATOM      6  C   LIG    1       -1.647  -0.108  -1.871  0.00  0.00    +0.124 A 
ATOM      7  C   LIG    1       -2.022   1.337   1.986  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -3.228   1.228   2.666  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1       -2.838  -0.254  -1.238  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1       -4.308   0.612   2.047  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        0.715   0.567  -2.091  0.00  0.00    +0.246 C 
ATOM     12  N   LIG    1        1.880   0.786  -1.389  0.00  0.00    -0.311 N 
ATOM     13  H   LIG    1        1.893   0.587  -0.391  0.00  0.00    +0.149 HD
ATOM     14  O   LIG    1        0.682   0.426  -3.308  0.00  0.00    -0.270 OA
BRANCH  12  15
ATOM     15  C   LIG    1        3.175   0.716  -2.045  0.00  0.00    +0.111 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.291   1.322  -1.194  0.00  0.00    +0.081 C 
BRANCH  16  17
ATOM     17  C   LIG    1        4.477   0.564   0.089  0.00  0.00    +0.080 A 
ATOM     18  S   LIG    1        5.992  -0.152   0.473  0.00  0.00    -0.081 S 
ATOM     19  C   LIG    1        5.331  -0.732   1.943  0.00  0.00    +0.066 A 
ATOM     20  C   LIG    1        4.013  -0.346   2.046  0.00  0.00    +0.119 A 
ATOM     21  N   LIG    1        3.523   0.393   0.986  0.00  0.00    -0.252 NA
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  12  15
ENDBRANCH   5  11
BRANCH   1  23
ATOM     22  C   LIG    1       -5.035  -2.207  -0.597  0.00  0.00    +0.090 C 
ATOM     23  S   LIG    1       -5.691  -0.660   0.084  0.00  0.00    -0.126 S 
ENDBRANCH   1  23
TORSDOF 5