REMARK  Name = BDB017132
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.560   0.499  -0.174  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        3.520  -0.729  -0.881  0.00  0.00    -0.006 A 
ATOM      3  C   LIG    1        2.265  -1.374  -1.010  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1        2.178  -2.601  -1.688  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1        3.307  -3.192  -2.256  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        4.539  -2.560  -2.159  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        1.109  -0.784  -0.466  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        1.167   0.445   0.198  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        4.644  -1.342  -1.484  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        2.398   1.083   0.347  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        6.981   1.209   1.224  0.00  0.00    +0.128 C 
ATOM     12  N   LIG    1        5.774   0.555   0.787  0.00  0.00    -0.314 N 
ATOM     13  H   LIG    1        5.515  -0.323   1.220  0.00  0.00    +0.149 HD
ATOM     14  C   LIG    1        4.821   1.240   0.064  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1        4.935   2.394  -0.325  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   8  16
ATOM     16  C   LIG    1       -0.042   1.100   0.784  0.00  0.00    +0.167 C 
ATOM     17  O   LIG    1        0.121   1.890   1.712  0.00  0.00    -0.292 OA
BRANCH  16  18
ATOM     18  C   LIG    1       -1.424   0.774   0.220  0.00  0.00    +0.074 C 
ATOM     19  C   LIG    1       -2.519   1.429   1.077  0.00  0.00    +0.096 C 
ATOM     20  N   LIG    1       -3.882   1.143   0.602  0.00  0.00    -0.299 NA
ATOM     21  C   LIG    1       -4.012   0.949  -0.841  0.00  0.00    +0.085 C 
ATOM     22  C   LIG    1       -2.937   1.714  -1.612  0.00  0.00    +0.016 C 
ATOM     23  C   LIG    1       -1.536   1.222  -1.247  0.00  0.00    +0.014 C 
BRANCH  20  24
ATOM     24  C   LIG    1       -4.588   0.222   1.496  0.00  0.00    +0.057 C 
ATOM     25  C   LIG    1       -4.125  -1.248   1.378  0.00  0.00    +0.019 C 
ATOM     26  C   LIG    1       -5.613  -1.632   1.569  0.00  0.00    +0.003 C 
ATOM     27  C   LIG    1       -5.970  -0.243   0.983  0.00  0.00    +0.019 C 
ENDBRANCH  20  24
ENDBRANCH  16  18
ENDBRANCH   8  16
TORSDOF 4