REMARK  Name = BDB063391
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.073   1.206  -0.333  0.00  0.00    +0.291 C 
ATOM      2  N   LIG    1       -3.721   0.916  -0.191  0.00  0.00    -0.291 N 
ATOM      3  C   LIG    1       -2.737   1.927  -0.573  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -1.512   1.275  -1.202  0.00  0.00    +0.029 C 
ATOM      5  C   LIG    1       -0.844   0.304  -0.208  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1        0.070  -0.740  -0.895  0.00  0.00    +0.113 C 
ATOM      7  N   LIG    1        1.171   0.161  -0.671  0.00  0.00    -0.325 N 
ATOM      8  C   LIG    1        0.475   0.821   0.409  0.00  0.00    +0.113 C 
ATOM      9  C   LIG    1       -1.811  -0.258   0.843  0.00  0.00    +0.029 C 
ATOM     10  C   LIG    1       -3.219  -0.377   0.271  0.00  0.00    +0.109 C 
ATOM     11  O   LIG    1       -5.504   2.293  -0.698  0.00  0.00    -0.260 OA
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        2.546  -0.132  -0.727  0.00  0.00    +0.102 C 
ATOM     13  C   LIG    1        3.451   0.650   0.216  0.00  0.00    +0.227 C 
ATOM     14  O   LIG    1        3.014   1.533   0.951  0.00  0.00    -0.284 OA
ATOM     15  C   LIG    1        4.900   0.341   0.253  0.00  0.00    +0.123 A 
ATOM     16  C   LIG    1        5.449  -0.573  -0.614  0.00  0.00    +0.052 A 
ATOM     17  C   LIG    1        6.825  -0.821  -0.544  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        7.597  -0.143   0.395  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        6.963   0.758   1.231  0.00  0.00    +0.111 A 
ATOM     20  C   LIG    1        4.613  -1.266  -1.587  0.00  0.00    +0.208 C 
ATOM     21  O   LIG    1        5.140  -2.051  -2.368  0.00  0.00    -0.286 OA
ATOM     22  N   LIG    1        5.638   1.012   1.181  0.00  0.00    -0.251 NA
ATOM     23  C   LIG    1        3.149  -0.996  -1.573  0.00  0.00    +0.113 C 
ATOM     24 CL   LIG    1        2.277  -1.891  -2.786  0.00  0.00    -0.078 Cl
ENDBRANCH   7  12
BRANCH   1  27
ATOM     25  C   LIG    1       -7.827  -1.742   0.476  0.00  0.00    +0.106 C 
ATOM     26  C   LIG    1       -6.838  -0.703   0.193  0.00  0.00    -0.096 C 
ATOM     27  C   LIG    1       -6.033   0.159  -0.042  0.00  0.00    -0.008 C 
ENDBRANCH   1  27
TORSDOF 2