REMARK  Name = BDB002772
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.248  -1.350  -0.450  0.00  0.00    -0.310 OA
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -2.410  -1.370  -1.102  0.00  0.00    +0.182 C 
ATOM      3  N   LIG    1       -1.301  -2.059  -1.044  0.00  0.00    -0.057 NA
BRANCH   2   4
ATOM      4  C   LIG    1       -2.582   0.069  -0.696  0.00  0.00    +0.106 A 
ATOM      5  N   LIG    1       -3.739   0.323  -0.026  0.00  0.00    -0.252 NA
ATOM      6  C   LIG    1       -3.945   1.605   0.347  0.00  0.00    +0.111 A 
ATOM      7  C   LIG    1       -3.066   2.641   0.070  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1       -1.906   2.355  -0.644  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -1.659   1.046  -1.047  0.00  0.00    +0.031 A 
ENDBRANCH   2   4
BRANCH   2  10
ATOM     10  N   LIG    1       -3.542  -2.025  -1.534  0.00  0.00    -0.339 N 
ATOM     11  H   LIG    1       -4.394  -1.657  -1.116  0.00  0.00    +0.144 HD
ATOM     12  H   LIG    1       -3.457  -3.032  -1.449  0.00  0.00    +0.144 HD
ENDBRANCH   2  10
ENDBRANCH   1   3
BRANCH   1  13
ATOM     13  C   LIG    1        0.859  -2.138  -0.335  0.00  0.00    +0.366 C 
ATOM     14  O   LIG    1        1.010  -3.297  -0.690  0.00  0.00    -0.243 OA
BRANCH  13  15
ATOM     15  C   LIG    1        1.951  -1.348   0.301  0.00  0.00    +0.064 A 
ATOM     16  C   LIG    1        1.731  -0.105   0.908  0.00  0.00    +0.049 A 
ATOM     17  C   LIG    1        2.816   0.583   1.473  0.00  0.00    +0.145 A 
ATOM     18  C   LIG    1        4.112   0.068   1.448  0.00  0.00    +0.071 A 
ATOM     19 CL   LIG    1        5.483   0.903   2.076  0.00  0.00    -0.081 Cl
ATOM     20  C   LIG    1        4.321  -1.178   0.853  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1        3.250  -1.882   0.287  0.00  0.00    +0.016 A 
BRANCH  17  22
ATOM     22  N   LIG    1        2.546   1.867   2.077  0.00  0.00    +0.058 N 
ATOM     23  O   LIG    1        2.120   2.755   1.325  0.00  0.00    -0.126 OA
ATOM     24  O   LIG    1        2.702   1.965   3.300  0.00  0.00    -0.126 OA
ENDBRANCH  17  22
ENDBRANCH  13  15
ENDBRANCH   1  13
TORSDOF 6