REMARK  Name = BDB009610
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.594  -0.842   0.447  0.00  0.00    -0.290 N 
ATOM      2  C   LIG    1        0.198   0.398   0.223  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1        1.647   0.147  -0.268  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1        2.269  -0.970   0.563  0.00  0.00    +0.026 C 
ATOM      5  C   LIG    1        1.482  -2.282   0.453  0.00  0.00    +0.055 C 
ATOM      6  C   LIG    1        2.011  -3.209   1.577  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1       -0.016  -2.084   0.675  0.00  0.00    +0.223 C 
ATOM      8  O   LIG    1       -0.692  -3.091   0.916  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1       -0.499   1.370  -0.734  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1       -0.751   2.693  -0.333  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -1.371   3.595  -1.201  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -1.744   3.182  -2.478  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -2.509   4.293  -3.546  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -1.500   1.877  -2.895  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -0.879   0.975  -2.028  0.00  0.00    +0.007 A 
ENDBRANCH   2   9
BRANCH   3  16
ATOM     16  C   LIG    1        2.522   1.398  -0.228  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1        2.843   2.047   0.975  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        3.631   3.201   0.966  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1        4.007   3.984   2.452  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1        4.108   3.724  -0.232  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        3.796   3.090  -1.433  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        3.009   1.937  -1.431  0.00  0.00    +0.004 A 
ENDBRANCH   3  16
BRANCH   1  23
ATOM     23  C   LIG    1       -2.032  -0.667   0.821  0.00  0.00    +0.076 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -3.164   0.050   3.004  0.00  0.00    +0.006 C 
ATOM     25  C   LIG    1       -2.261  -0.971   2.322  0.00  0.00    +0.019 C 
ENDBRANCH  23  25
BRANCH  23  26
ATOM     26  C   LIG    1       -2.956  -1.469  -0.125  0.00  0.00    +0.019 C 
ATOM     27  C   LIG    1       -4.425  -1.087  -0.019  0.00  0.00    +0.006 C 
ENDBRANCH  23  26
ENDBRANCH   1  23
BRANCH   5  28
ATOM     28  C   LIG    1        1.704  -3.016  -0.892  0.00  0.00    +0.136 C 
BRANCH  28  29
ATOM     29  C   LIG    1        0.715  -2.726  -1.997  0.00  0.00    +0.306 C 
ATOM     30  O   LIG    1        0.970  -2.007  -2.951  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -0.479  -3.338  -1.855  0.00  0.00    -0.481 OA
ATOM     32  H   LIG    1       -0.620  -3.786  -0.990  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 8