REMARK  Name = BDB009660
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.082  -0.130  -0.087  0.00  0.00    -0.289 N 
ATOM      2  C   LIG    1       -0.348  -0.386   0.242  0.00  0.00    +0.132 C 
ATOM      3  C   LIG    1       -1.293   0.385  -0.724  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1       -0.850   1.835  -1.005  0.00  0.00    +0.026 C 
ATOM      5  C   LIG    1        0.452   2.289  -0.312  0.00  0.00    +0.055 C 
ATOM      6  C   LIG    1        0.188   2.684   1.153  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        1.503   1.170  -0.376  0.00  0.00    +0.223 C 
ATOM      8  O   LIG    1        2.675   1.449  -0.624  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1       -0.762  -1.867   0.244  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1       -0.734  -2.541  -0.938  0.00  0.00    -0.257 NA
ATOM     11  C   LIG    1       -1.110  -3.843  -0.926  0.00  0.00    +0.131 A 
ATOM     12  C   LIG    1       -1.515  -4.517   0.213  0.00  0.00    +0.059 A 
ATOM     13 CL   LIG    1       -1.976  -6.168   0.147  0.00  0.00    -0.082 Cl
ATOM     14  C   LIG    1       -1.538  -3.823   1.415  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1       -1.157  -2.481   1.436  0.00  0.00    +0.026 A 
ENDBRANCH   2   9
BRANCH   3  16
ATOM     16  C   LIG    1       -2.763   0.312  -0.310  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1       -3.651  -0.478  -1.062  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1       -4.990  -0.591  -0.691  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1       -6.055  -1.573  -1.620  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1       -5.471   0.081   0.429  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -4.604   0.868   1.184  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -3.259   0.980   0.820  0.00  0.00    +0.004 A 
ENDBRANCH   3  16
BRANCH   1  23
ATOM     23  C   LIG    1        2.098  -1.182   0.200  0.00  0.00    +0.076 C 
BRANCH  23  25
ATOM     24  C   LIG    1        2.665  -1.590  -2.259  0.00  0.00    +0.006 C 
ATOM     25  C   LIG    1        3.213  -1.345  -0.858  0.00  0.00    +0.019 C 
ENDBRANCH  23  25
BRANCH  23  26
ATOM     26  C   LIG    1        2.640  -1.100   1.645  0.00  0.00    +0.019 C 
ATOM     27  C   LIG    1        3.561   0.067   1.969  0.00  0.00    +0.006 C 
ENDBRANCH  23  26
ENDBRANCH   1  23
BRANCH   5  28
ATOM     28  C   LIG    1        0.971   3.527  -1.104  0.00  0.00    +0.136 C 
BRANCH  28  29
ATOM     29  C   LIG    1        2.210   4.197  -0.559  0.00  0.00    +0.306 C 
ATOM     30  O   LIG    1        2.456   4.464   0.605  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1        3.053   4.583  -1.538  0.00  0.00    -0.481 OA
ATOM     32  H   LIG    1        3.822   4.947  -1.054  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 8