REMARK  Name = BDB016962
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.564  -1.202  -0.799  0.00  0.00    +0.078 A 
ATOM      2  N   LIG    1        1.262  -2.343  -1.140  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1        0.704  -3.580  -1.632  0.00  0.00    +0.150 C 
ATOM      4  C   LIG    1        2.587  -2.120  -0.912  0.00  0.00    +0.200 A 
ATOM      5  N   LIG    1        2.798  -0.915  -0.442  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1        1.549  -0.322  -0.359  0.00  0.00    +0.115 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1       -3.079  -1.053   0.152  0.00  0.00    +0.139 A 
ATOM      8  C   LIG    1       -3.663  -0.872  -1.112  0.00  0.00    +0.083 A 
ATOM      9 CL   LIG    1       -5.377  -0.740  -1.304  0.00  0.00    -0.080 Cl
ATOM     10  C   LIG    1       -2.870  -0.785  -2.260  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -1.483  -0.886  -2.158  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -0.886  -1.081  -0.909  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -1.687  -1.165   0.241  0.00  0.00    +0.057 A 
BRANCH   7  15
ATOM     14  C   LIG    1       -3.350  -1.061   2.522  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1       -3.930  -1.125   1.225  0.00  0.00    -0.494 OA
ENDBRANCH   7  15
ENDBRANCH   1  12
BRANCH   6  16
ATOM     16  C   LIG    1        1.370   1.048   0.125  0.00  0.00    +0.092 A 
ATOM     17  N   LIG    1        0.106   1.534   0.209  0.00  0.00    -0.253 NA
ATOM     18  C   LIG    1       -0.060   2.798   0.651  0.00  0.00    +0.112 A 
ATOM     19  C   LIG    1        0.983   3.619   1.026  0.00  0.00    +0.035 A 
ATOM     20  C   LIG    1        2.277   3.108   0.939  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1        2.479   1.805   0.483  0.00  0.00    +0.045 A 
BRANCH  20  22
ATOM     22  C   LIG    1        3.400   3.984   1.340  0.00  0.00    +0.337 C 
ATOM     23  O   LIG    1        3.296   5.125   1.749  0.00  0.00    -0.245 OA
BRANCH  22  24
ATOM     24  O   LIG    1        4.598   3.391   1.211  0.00  0.00    -0.477 OA
ATOM     25  H   LIG    1        5.239   4.072   1.505  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH   6  16
TORSDOF 5