REMARK  Name = BDB000684
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.706   0.074   0.052  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        1.042  -1.339  -0.227  0.00  0.00    +0.350 A 
ATOM      3  O   LIG    1        0.172  -2.178  -0.447  0.00  0.00    -0.244 OA
ATOM      4  O   LIG    1        2.387  -1.690  -0.232  0.00  0.00    -0.420 OA
ATOM      5  C   LIG    1        3.411  -0.754   0.017  0.00  0.00    +0.157 A 
ATOM      6  C   LIG    1        3.084   0.573   0.278  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1        4.108   1.491   0.522  0.00  0.00    +0.031 A 
ATOM      8  C   LIG    1        5.440   1.067   0.502  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1        5.763  -0.263   0.240  0.00  0.00    +0.043 A 
ATOM     10 CL   LIG    1        6.696   2.203   0.804  0.00  0.00    -0.083 Cl
ATOM     11  C   LIG    1        4.742  -1.180  -0.004  0.00  0.00    +0.085 A 
ATOM     12 CL   LIG    1        5.155  -2.821  -0.327  0.00  0.00    -0.080 Cl
ATOM     13  C   LIG    1        1.684   0.966   0.288  0.00  0.00    +0.032 A 
ENDROOT
BRANCH   1  15
ATOM     14  O   LIG    1       -0.912   1.778   0.326  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1       -0.707   0.590   0.087  0.00  0.00    +0.255 C 
ATOM     16  N   LIG    1       -1.680  -0.355  -0.160  0.00  0.00    -0.281 N 
ATOM     17  H   LIG    1       -1.363  -1.308  -0.344  0.00  0.00    +0.155 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -3.079  -0.175  -0.194  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1       -3.721   1.043   0.028  0.00  0.00    +0.023 A 
ATOM     20  C   LIG    1       -5.117   1.129  -0.025  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -5.881  -0.003  -0.301  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -5.250  -1.223  -0.525  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -3.856  -1.308  -0.471  0.00  0.00    +0.023 A 
ENDBRANCH  16  18
ENDBRANCH   1  15
TORSDOF 2