REMARK  Name = BDB006648
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.899   3.094   0.352  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        2.647   1.637   0.274  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1        1.427   0.953   0.294  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1       -0.035   1.118   0.392  0.00  0.00    +0.146 C 
ATOM      5  N   LIG    1       -0.495  -0.315   0.320  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1        0.612  -1.207   0.179  0.00  0.00    +0.270 C 
ATOM      7  O   LIG    1        0.636  -2.421   0.085  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        1.749  -0.363   0.181  0.00  0.00    +0.130 A 
ATOM      9  N   LIG    1        3.090  -0.457   0.107  0.00  0.00    -0.256 N 
ATOM     10  N   LIG    1        3.672   0.771   0.144  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -1.841  -0.675   0.444  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -2.814   0.227   0.687  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1       -4.150  -0.117   0.813  0.00  0.00    -0.316 N 
ATOM     14  C   LIG    1       -5.117   0.940   1.069  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1       -4.600  -1.430   0.702  0.00  0.00    +0.254 A 
ATOM     16  O   LIG    1       -5.774  -1.771   0.815  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1       -3.543  -2.449   0.425  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1       -3.998  -3.868   0.286  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1       -2.261  -2.062   0.309  0.00  0.00    +0.033 A 
ENDBRANCH   5  11
BRANCH   4  20
ATOM     20  C   LIG    1       -0.433   1.991  -0.783  0.00  0.00    -0.022 A 
ATOM     21  C   LIG    1       -0.694   3.357  -0.565  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -1.059   4.194  -1.623  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -1.167   3.675  -2.911  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -1.619   4.706  -4.212  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -0.912   2.328  -3.150  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -0.545   1.491  -2.093  0.00  0.00    +0.007 A 
ENDBRANCH   4  20
BRANCH   9  27
ATOM     27  C   LIG    1        3.829  -1.718  -0.073  0.00  0.00    +0.108 C 
ATOM     28  C   LIG    1        3.798  -2.623   1.186  0.00  0.00    +0.027 C 
ATOM     29  C   LIG    1        5.264  -2.982   0.864  0.00  0.00    +0.004 C 
ATOM     30  C   LIG    1        5.360  -1.616   0.154  0.00  0.00    +0.027 C 
ENDBRANCH   9  27
TORSDOF 3