REMARK  Name = BDB009562
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.578   0.464  -0.068  0.00  0.00    -0.289 N 
ATOM      2  C   LIG    1       -0.694  -0.307   0.005  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1       -1.770   0.198  -1.019  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1       -1.654   1.703  -1.315  0.00  0.00    +0.023 C 
ATOM      5  C   LIG    1       -0.908   2.436  -0.205  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1        0.500   1.865  -0.116  0.00  0.00    +0.220 C 
ATOM      7  O   LIG    1        1.478   2.605  -0.053  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1       -0.529  -1.820  -0.163  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1       -0.928  -2.687   0.868  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -0.805  -4.071   0.721  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -0.284  -4.600  -0.458  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -0.135  -6.304  -0.637  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1        0.117  -3.758  -1.492  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -0.006  -2.374  -1.347  0.00  0.00    +0.007 A 
ENDBRANCH   2   8
BRANCH   3  15
ATOM     15  C   LIG    1       -3.183  -0.194  -0.585  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1       -3.851   0.454   0.466  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1       -5.136   0.056   0.842  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -5.936   0.870   2.129  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -5.773  -0.993   0.186  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -5.121  -1.651  -0.855  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -3.837  -1.254  -1.237  0.00  0.00    +0.004 A 
ENDBRANCH   3  15
BRANCH   1  22
ATOM     22  C   LIG    1        1.838  -0.150   0.457  0.00  0.00    +0.090 C 
BRANCH  22  23
ATOM     23  C   LIG    1        1.897  -0.181   2.003  0.00  0.00    +0.020 C 
ATOM     24  C   LIG    1        2.033   1.164   2.701  0.00  0.00    +0.006 C 
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1        3.147   0.376  -0.209  0.00  0.00    +0.103 C 
BRANCH  25  26
ATOM     26  N   LIG    1        4.276  -0.551  -0.004  0.00  0.00    -0.314 NA
ATOM     27  H   LIG    1        4.058  -1.450  -0.433  0.00  0.00    +0.122 HD
BRANCH  26  29
ATOM     28  C   LIG    1        6.643  -1.000  -0.394  0.00  0.00    +0.020 C 
ATOM     29  C   LIG    1        5.502  -0.015  -0.596  0.00  0.00    +0.077 C 
ENDBRANCH  26  29
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH   1  22
BRANCH   5  30
ATOM     30  C   LIG    1       -0.868   3.950  -0.450  0.00  0.00    +0.133 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -2.222   4.593  -0.352  0.00  0.00    +0.305 C 
ATOM     32  O   LIG    1       -2.678   5.419  -1.125  0.00  0.00    -0.251 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -2.924   4.210   0.730  0.00  0.00    -0.481 OA
ATOM     34  H   LIG    1       -3.747   4.743   0.680  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH   5  30
TORSDOF 10