REMARK  Name = BDB009645
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.430   2.926   0.750  0.00  0.00    +0.021 C 
ATOM      2  C   LIG    1       -0.046   2.443  -0.661  0.00  0.00    +0.055 C 
ATOM      3  C   LIG    1        1.246   1.622  -0.553  0.00  0.00    +0.223 C 
ATOM      4  O   LIG    1        2.334   2.156  -0.764  0.00  0.00    -0.275 OA
ATOM      5  N   LIG    1        1.143   0.300  -0.114  0.00  0.00    -0.288 N 
ATOM      6  C   LIG    1       -0.181  -0.302   0.175  0.00  0.00    +0.114 C 
ATOM      7  C   LIG    1       -1.283   0.150  -0.829  0.00  0.00    +0.045 C 
ATOM      8  C   LIG    1       -1.152   1.603  -1.316  0.00  0.00    +0.026 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -0.161  -1.837   0.209  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1        0.294  -2.588  -0.890  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        0.292  -3.984  -0.849  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -0.169  -4.641   0.288  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -0.171  -6.361   0.339  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -0.629  -3.916   1.384  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -0.626  -2.520   1.346  0.00  0.00    +0.007 A 
ENDBRANCH   6   9
BRANCH   7  16
ATOM     16  C   LIG    1       -2.692  -0.154  -0.321  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1       -3.463  -1.139  -0.962  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1       -4.743  -1.449  -0.502  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1       -5.665  -2.664  -1.299  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1       -5.279  -0.786   0.598  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -4.527   0.194   1.243  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -3.243   0.507   0.789  0.00  0.00    +0.004 A 
ENDBRANCH   7  16
BRANCH   5  23
ATOM     23  C   LIG    1        2.367  -0.329   0.453  0.00  0.00    +0.102 C 
ATOM     24  C   LIG    1        2.946   0.403   1.688  0.00  0.00    +0.182 C 
ATOM     25  O   LIG    1        4.327   0.112   1.943  0.00  0.00    -0.378 OA
ATOM     26  C   LIG    1        4.699  -1.208   1.565  0.00  0.00    +0.160 C 
ATOM     27  C   LIG    1        4.622  -1.378   0.050  0.00  0.00    +0.030 C 
ATOM     28  C   LIG    1        3.473  -0.585  -0.579  0.00  0.00    +0.027 C 
ENDBRANCH   5  23
BRANCH   2  29
ATOM     29  C   LIG    1        0.263   3.685  -1.542  0.00  0.00    +0.136 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -0.927   4.560  -1.816  0.00  0.00    +0.306 C 
ATOM     31  O   LIG    1       -1.751   4.399  -2.701  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -1.043   5.580  -0.947  0.00  0.00    -0.481 OA
ATOM     33  H   LIG    1       -1.837   6.068  -1.252  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH   2  29
TORSDOF 6