REMARK  Name = BDB009677
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.463   0.552  -1.131  0.00  0.00    -0.290 N 
ATOM      2  C   LIG    1        0.055  -0.010   0.145  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1        1.610  -0.036   0.311  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1        2.346   0.211  -1.006  0.00  0.00    +0.026 C 
ATOM      5  C   LIG    1        1.815   1.455  -1.735  0.00  0.00    +0.055 C 
ATOM      6  C   LIG    1        2.608   1.560  -3.062  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        0.340   1.217  -2.065  0.00  0.00    +0.223 C 
ATOM      8  O   LIG    1       -0.102   1.621  -3.143  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1       -0.543   0.660   1.388  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1       -0.720  -0.092   2.565  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -1.222   0.499   3.727  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -1.553   1.851   3.727  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -2.174   2.579   5.156  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -1.384   2.615   2.576  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -0.879   2.023   1.415  0.00  0.00    +0.007 A 
ENDBRANCH   2   9
BRANCH   3  16
ATOM     16  C   LIG    1        2.120  -1.308   0.990  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1        2.706  -1.227   2.265  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        3.166  -2.377   2.908  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1        3.872  -2.255   4.472  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1        3.053  -3.622   2.296  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        2.477  -3.717   1.031  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        2.014  -2.569   0.383  0.00  0.00    +0.004 A 
ENDBRANCH   3  16
BRANCH   1  23
ATOM     23  C   LIG    1       -1.827   0.169  -1.627  0.00  0.00    +0.079 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -0.958  -2.187  -2.336  0.00  0.00    +0.006 C 
ATOM     25  C   LIG    1       -1.790  -0.964  -2.686  0.00  0.00    +0.019 C 
ENDBRANCH  23  25
BRANCH  23  26
ATOM     26  C   LIG    1       -2.992   0.063  -0.607  0.00  0.00    +0.053 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.220  -1.251   0.146  0.00  0.00    +0.113 C 
ATOM     28  C   LIG    1       -4.240  -1.058   1.266  0.00  0.00    +0.037 C 
BRANCH  27  29
ATOM     29  O   LIG    1       -3.731  -2.236  -0.748  0.00  0.00    -0.392 OA
ATOM     30  H   LIG    1       -3.962  -3.024  -0.227  0.00  0.00    +0.210 HD
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH   1  23
BRANCH   5  31
ATOM     31  C   LIG    1        2.018   2.753  -0.931  0.00  0.00    +0.136 C 
BRANCH  31  32
ATOM     32  C   LIG    1        1.296   3.963  -1.481  0.00  0.00    +0.306 C 
ATOM     33  O   LIG    1        0.175   4.295  -1.126  0.00  0.00    -0.251 OA
BRANCH  32  34
ATOM     34  O   LIG    1        2.018   4.679  -2.368  0.00  0.00    -0.481 OA
ATOM     35  H   LIG    1        2.896   4.313  -2.577  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  31  32
ENDBRANCH   5  31
TORSDOF 10