REMARK  Name = BDB006689
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.090  -0.601   1.058  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1       -0.284  -0.642  -0.204  0.00  0.00    +0.146 C 
ATOM      3  C   LIG    1        1.096  -0.764   0.310  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1        1.094  -0.777   1.692  0.00  0.00    +0.154 A 
ATOM      5  N   LIG    1        2.299  -0.927   2.224  0.00  0.00    -0.157 NA
ATOM      6  N   LIG    1        3.139  -0.945   1.129  0.00  0.00    -0.187 N 
ATOM      7  C   LIG    1        4.546  -1.006   1.346  0.00  0.00    +0.337 C 
ATOM      8  N   LIG    1        5.313  -0.371   0.356  0.00  0.00    -0.288 N 
ATOM      9  C   LIG    1        6.724  -0.714   0.362  0.00  0.00    +0.133 C 
ATOM     10  C   LIG    1        5.031   1.024   0.036  0.00  0.00    +0.133 C 
ATOM     11  O   LIG    1        4.993  -1.618   2.309  0.00  0.00    -0.248 OA
ATOM     12  C   LIG    1        2.401  -0.942  -0.075  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1        2.985  -1.156  -1.421  0.00  0.00    +0.066 C 
ATOM     14  C   LIG    1       -0.253  -0.668   2.216  0.00  0.00    +0.272 C 
ATOM     15  O   LIG    1       -0.552  -0.648   3.398  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  23
ATOM     16  C   LIG    1       -5.385  -0.323   3.586  0.00  0.00    +0.049 C 
ATOM     17  C   LIG    1       -4.589  -0.424   2.323  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1       -5.361  -0.477   1.045  0.00  0.00    +0.254 A 
ATOM     19  O   LIG    1       -6.588  -0.441   1.061  0.00  0.00    -0.267 OA
ATOM     20  N   LIG    1       -4.594  -0.564  -0.113  0.00  0.00    -0.316 N 
ATOM     21  C   LIG    1       -5.268  -0.610  -1.403  0.00  0.00    +0.152 C 
ATOM     22  C   LIG    1       -3.209  -0.605  -0.090  0.00  0.00    +0.112 A 
ATOM     23  C   LIG    1       -2.489  -0.561   1.050  0.00  0.00    +0.054 A 
ATOM     24  C   LIG    1       -3.246  -0.465   2.289  0.00  0.00    +0.033 A 
ENDBRANCH   1  23
BRANCH   2  25
ATOM     25  C   LIG    1       -0.292   0.637  -1.024  0.00  0.00    -0.022 A 
ATOM     26  C   LIG    1       -0.381   1.912  -0.434  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -0.377   3.066  -1.221  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -0.280   2.961  -2.606  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1       -0.270   4.382  -3.574  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1       -0.189   1.711  -3.211  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -0.194   0.555  -2.425  0.00  0.00    +0.007 A 
ENDBRANCH   2  25
TORSDOF 2