REMARK  Name = BDB019181
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.012   0.025  -1.438  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        0.701  -1.477  -1.418  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -0.730  -1.489  -1.912  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -1.325  -0.248  -1.248  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1       -0.234   0.714  -1.163  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -1.889  -0.502   0.179  0.00  0.00    +0.180 C 
ATOM      7  C   LIG    1       -2.857   0.593   0.630  0.00  0.00    -0.012 A 
ATOM      8  C   LIG    1       -4.226   0.320   0.805  0.00  0.00    -0.038 A 
ATOM      9  C   LIG    1       -5.098   1.334   1.228  0.00  0.00    +0.025 A 
ATOM     10  C   LIG    1       -4.622   2.627   1.462  0.00  0.00    +0.060 A 
ATOM     11  C   LIG    1       -3.266   2.909   1.284  0.00  0.00    +0.060 A 
ATOM     12 CL   LIG    1       -2.601   4.480   1.557  0.00  0.00    -0.082 Cl
ATOM     13 CL   LIG    1       -5.760   3.822   1.976  0.00  0.00    -0.082 Cl
ATOM     14  C   LIG    1       -4.746  -1.080   0.605  0.00  0.00    +0.063 C 
ATOM     15  C   LIG    1       -3.789  -1.886  -0.261  0.00  0.00    +0.165 C 
ATOM     16  C   LIG    1       -2.393   1.896   0.872  0.00  0.00    +0.028 A 
ATOM     17  O   LIG    1       -2.473  -1.812   0.291  0.00  0.00    -0.369 OA
ENDBRANCH   4   6
BRANCH   1  23
ATOM     18  C   LIG    1        6.170   0.677   1.944  0.00  0.00    +0.066 C 
ATOM     19  C   LIG    1        5.288   0.094   0.884  0.00  0.00    +0.051 A 
ATOM     20  C   LIG    1        3.971   0.513   0.641  0.00  0.00    +0.040 A 
ATOM     21  C   LIG    1        3.091   1.482   1.189  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1        1.907   1.415   0.487  0.00  0.00    +0.091 A 
ATOM     23  N   LIG    1        2.021   0.422  -0.457  0.00  0.00    -0.303 N 
ATOM     24  C   LIG    1        3.284  -0.126  -0.383  0.00  0.00    +0.146 A 
ATOM     25  N   LIG    1        3.756  -1.113  -1.169  0.00  0.00    -0.218 NA
ATOM     26  C   LIG    1        5.027  -1.428  -0.856  0.00  0.00    +0.223 A 
ATOM     27  N   LIG    1        5.803  -0.896   0.106  0.00  0.00    -0.240 NA
ENDBRANCH   1  23
BRANCH   2  28
ATOM     28  O   LIG    1        1.514  -2.263  -2.293  0.00  0.00    -0.385 OA
ATOM     29  H   LIG    1        2.444  -2.088  -2.024  0.00  0.00    +0.210 HD
ENDBRANCH   2  28
BRANCH   3  30
ATOM     30  O   LIG    1       -0.730  -1.323  -3.341  0.00  0.00    -0.386 OA
ATOM     31  H   LIG    1       -0.028  -1.928  -3.663  0.00  0.00    +0.210 HD
ENDBRANCH   3  30
TORSDOF 4