REMARK  Name = BDB036855
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.792   0.096   1.670  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1       -1.917  -0.422   0.308  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -0.819  -0.760  -0.488  0.00  0.00    +0.247 C 
ATOM      4  O   LIG    1       -0.889  -0.904  -1.707  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -3.205  -0.249  -0.384  0.00  0.00    +0.163 C 
ATOM      6  C   LIG    1       -3.448   1.212  -0.807  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1       -2.609   2.108  -0.747  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1       -4.720   1.485  -1.260  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -4.875   2.451  -1.518  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1       -5.855   0.803  -0.903  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1       -6.964   1.320  -1.006  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -5.666  -0.610  -0.400  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1       -4.402  -0.730   0.437  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   3  14
ATOM     14  C   LIG    1        0.492  -0.997   0.152  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1        1.604  -0.279  -0.303  0.00  0.00    +0.021 A 
ATOM     16  C   LIG    1        2.871  -0.487   0.264  0.00  0.00    -0.017 A 
ATOM     17  C   LIG    1        2.987  -1.447   1.286  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1        1.880  -2.183   1.724  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        0.630  -1.964   1.152  0.00  0.00    +0.013 A 
BRANCH  16  20
ATOM     20  C   LIG    1        4.044   0.275  -0.198  0.00  0.00    -0.018 A 
ATOM     21  C   LIG    1        5.228  -0.378  -0.581  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1        6.342   0.345  -1.018  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        6.290   1.735  -1.081  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.127   2.402  -0.709  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        4.014   1.678  -0.272  0.00  0.00    +0.008 A 
ENDBRANCH  16  20
ENDBRANCH   3  14
TORSDOF 3