REMARK  Name = BDB009095
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.572  -0.479  -1.413  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.596  -1.190  -0.710  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        0.555  -1.673  -1.357  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1        0.709  -1.452  -2.731  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.260  -0.747  -3.440  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.392  -0.261  -2.784  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1       -2.607  -0.738   1.368  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -3.150  -0.073   0.490  0.00  0.00    +0.252 C 
ATOM      9  N   LIG    1       -2.740   0.053  -0.825  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1       -3.366   0.518  -1.468  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1       -4.411   0.634   0.856  0.00  0.00    +0.080 A 
ATOM     12  C   LIG    1       -5.209   0.131   1.897  0.00  0.00    +0.129 A 
ATOM     13  C   LIG    1       -6.405   0.755   2.246  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1       -6.807   1.909   1.574  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1       -6.004   2.433   0.564  0.00  0.00    +0.042 A 
ATOM     16 CL   LIG    1       -6.488   3.871  -0.249  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -4.808   1.809   0.202  0.00  0.00    +0.036 A 
BRANCH  12  18
ATOM     18  O   LIG    1       -4.875  -0.981   2.625  0.00  0.00    -0.506 OA
ATOM     19  H   LIG    1       -3.943  -1.213   2.413  0.00  0.00    +0.292 HD
ENDBRANCH  12  18
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  20
ATOM     20  C   LIG    1        1.599  -2.445  -0.583  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.988  -1.817  -0.653  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1        3.297  -0.602   0.167  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1        2.278  -0.017   1.104  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1        2.874   0.986   2.098  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1        3.844   1.934   1.404  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1        4.988   1.161   0.746  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1        4.526  -0.075   0.024  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1        5.510  -0.713  -0.888  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1        6.643  -0.266  -1.032  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1        5.076  -1.829  -1.549  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1        5.733  -2.280  -2.176  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1        3.840  -2.384  -1.456  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 5