REMARK  Name = BDB003840
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.915  -0.830  -0.378  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        1.614  -0.879   0.038  0.00  0.00    -0.265 N 
ATOM      3  C   LIG    1        0.832   0.147   0.705  0.00  0.00    +0.129 C 
ATOM      4  C   LIG    1       -0.405  -0.713   0.358  0.00  0.00    +0.087 C 
ATOM      5  C   LIG    1       -1.668   0.030  -0.151  0.00  0.00    +0.232 C 
ATOM      6  O   LIG    1       -1.734   0.826  -1.081  0.00  0.00    -0.274 OA
ATOM      7  N   LIG    1       -2.731  -0.372   0.614  0.00  0.00    -0.230 N 
ATOM      8  C   LIG    1       -2.409  -1.357   1.517  0.00  0.00    +0.224 C 
ATOM      9  O   LIG    1       -3.186  -1.939   2.259  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -0.922  -1.615   1.475  0.00  0.00    +0.115 C 
ATOM     11  C   LIG    1        0.481  -1.410  -0.701  0.00  0.00    +0.129 C 
ATOM     12  O   LIG    1        3.369  -1.545  -1.260  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   7  13
ATOM     13  C   LIG    1       -4.119  -0.015   0.339  0.00  0.00    +0.170 C 
ATOM     14  C   LIG    1       -4.580  -0.747  -0.926  0.00  0.00    +0.240 C 
ATOM     15  O   LIG    1       -4.038  -1.762  -1.361  0.00  0.00    -0.273 OA
ATOM     16  N   LIG    1       -5.701  -0.231  -1.538  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1       -6.014  -0.716  -2.368  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1       -6.342   0.950  -1.257  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1       -7.286   1.335  -1.941  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -5.867   1.707  -0.038  0.00  0.00    +0.098 C 
ATOM     21  C   LIG    1       -4.382   1.483   0.210  0.00  0.00    +0.041 C 
ENDBRANCH   7  13
BRANCH   1  22
ATOM     22  O   LIG    1        3.611   0.100   0.322  0.00  0.00    -0.445 OA
BRANCH  22  24
ATOM     23  C   LIG    1        5.421   1.440   1.040  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1        5.018   0.331   0.057  0.00  0.00    +0.107 C 
ATOM     25  C   LIG    1        5.854  -0.918   0.358  0.00  0.00    +0.055 C 
ATOM     26  C   LIG    1        5.239   0.840  -1.371  0.00  0.00    +0.055 C 
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 3