REMARK  Name = BDB019598
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.113   2.483   0.900  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1        0.233   1.816   1.768  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -0.009   0.441   1.642  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        0.659  -0.292   0.655  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        1.549   0.345  -0.222  0.00  0.00    -0.029 A 
ATOM      6  C   LIG    1        1.759   1.728  -0.096  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1       -0.591   7.183   1.216  0.00  0.00    +0.065 C 
ATOM      8  C   LIG    1        0.543   6.203   1.179  0.00  0.00    +0.039 A 
ATOM      9  N   LIG    1        1.797   6.702   1.263  0.00  0.00    -0.260 NA
ATOM     10  C   LIG    1        2.815   5.818   1.232  0.00  0.00    +0.111 A 
ATOM     11  C   LIG    1        2.646   4.448   1.116  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        1.350   3.931   1.026  0.00  0.00    -0.015 A 
ATOM     13  C   LIG    1        0.284   4.840   1.062  0.00  0.00    +0.031 A 
ENDBRANCH   1  12
BRANCH   3  14
ATOM     14  C   LIG    1       -0.962  -0.197   2.592  0.00  0.00    +0.244 C 
ATOM     15  N   LIG    1       -1.571  -1.351   2.167  0.00  0.00    -0.306 N 
ATOM     16  H   LIG    1       -1.530  -1.649   1.199  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1       -1.194   0.317   3.681  0.00  0.00    -0.270 OA
BRANCH  15  18
ATOM     18  C   LIG    1       -2.589  -2.001   2.963  0.00  0.00    +0.160 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.130  -3.236   2.274  0.00  0.00    +0.058 A 
ATOM     20  N   LIG    1       -2.782  -3.442   0.971  0.00  0.00    -0.257 NA
ATOM     21  C   LIG    1       -3.293  -4.539   0.359  0.00  0.00    +0.131 A 
ATOM     22  C   LIG    1       -4.136  -5.446   0.981  0.00  0.00    +0.059 A 
ATOM     23 CL   LIG    1       -4.739  -6.813   0.137  0.00  0.00    -0.082 Cl
ATOM     24  C   LIG    1       -4.484  -5.222   2.307  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1       -3.978  -4.101   2.965  0.00  0.00    +0.026 A 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   3  14
BRANCH   5  26
ATOM     26  C   LIG    1        2.257  -0.449  -1.295  0.00  0.00    +0.139 C 
BRANCH  26  27
ATOM     27  N   LIG    1        1.292  -0.895  -2.279  0.00  0.00    -0.313 N 
ATOM     28  H   LIG    1        0.665  -0.147  -2.565  0.00  0.00    +0.149 HD
BRANCH  27  29
ATOM     29  C   LIG    1        1.658  -1.608  -3.364  0.00  0.00    +0.176 C 
ATOM     30  N   LIG    1        2.569  -2.600  -3.195  0.00  0.00    -0.316 N 
ATOM     31  H   LIG    1        2.421  -3.136  -2.349  0.00  0.00    +0.149 HD
ATOM     32  C   LIG    1        2.568  -3.380  -4.416  0.00  0.00    +0.127 C 
ATOM     33  C   LIG    1        1.867  -2.428  -5.390  0.00  0.00    +0.163 C 
ATOM     34  N   LIG    1        1.161  -1.420  -4.551  0.00  0.00    -0.255 NA
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 7