REMARK  Name = BDB027913
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.111   1.353  -1.720  0.00  0.00    +0.130 C 
ATOM      2  N   LIG    1        0.264   0.381  -0.637  0.00  0.00    -0.321 N 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -0.938   0.007   0.148  0.00  0.00    +0.160 C 
ATOM      4  C   LIG    1       -1.917   1.180   0.379  0.00  0.00    +0.240 C 
ATOM      5  O   LIG    1       -1.580   2.356   0.509  0.00  0.00    -0.273 OA
ATOM      6  N   LIG    1       -3.248   0.843   0.498  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1       -3.881   1.612   0.673  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1       -3.817  -0.404   0.447  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -5.020  -0.559   0.632  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -2.878  -1.563   0.228  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1       -1.658  -1.137  -0.571  0.00  0.00    +0.041 C 
ENDBRANCH   2   3
BRANCH   2  12
ATOM     12  C   LIG    1        1.531   0.146  -0.099  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        2.612   1.018  -0.312  0.00  0.00    +0.043 A 
ATOM     14  C   LIG    1        3.878   0.760   0.223  0.00  0.00    +0.043 A 
ATOM     15 CL   LIG    1        5.166   1.869  -0.058  0.00  0.00    -0.083 Cl
ATOM     16  C   LIG    1        4.109  -0.381   0.981  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        3.065  -1.271   1.198  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1        1.799  -1.008   0.660  0.00  0.00    +0.023 A 
ENDBRANCH   2  12
TORSDOF 2