REMARK  Name = BDB031434
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.575  -1.014   0.476  0.00  0.00    +0.193 C 
ATOM      2  N   LIG    1       -1.208   0.231   0.005  0.00  0.00    -0.256 N 
ATOM      3  C   LIG    1       -0.263   1.176  -0.358  0.00  0.00    +0.250 C 
ATOM      4  O   LIG    1       -0.429   2.232  -0.939  0.00  0.00    -0.270 OA
ATOM      5  C   LIG    1        1.053   0.650  -0.012  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1        2.282   1.281  -0.151  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1        3.437   0.576   0.208  0.00  0.00    -0.015 A 
ATOM      8  C   LIG    1        3.283  -0.746   0.703  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        2.025  -1.358   0.825  0.00  0.00    +0.050 A 
ATOM     10 CL   LIG    1        1.951  -2.963   1.437  0.00  0.00    -0.083 Cl
ATOM     11  C   LIG    1        0.896  -0.649   0.453  0.00  0.00    +0.038 A 
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1       -0.862  -2.225  -0.425  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -1.328  -3.442   0.106  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1       -1.581  -4.542  -0.719  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -1.368  -4.444  -2.090  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -1.680  -5.797  -3.105  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -0.900  -3.256  -2.644  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -0.646  -2.157  -1.819  0.00  0.00    +0.010 A 
ENDBRANCH   1  12
BRANCH   7  19
ATOM     19  C   LIG    1        4.836   1.183   0.117  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1        5.340   1.563   1.514  0.00  0.00    +0.046 C 
ATOM     21  C   LIG    1        4.952   2.395  -0.816  0.00  0.00    +0.046 C 
BRANCH  19  22
ATOM     22  O   LIG    1        5.727   0.190  -0.406  0.00  0.00    -0.385 OA
ATOM     23  H   LIG    1        5.323  -0.161  -1.218  0.00  0.00    +0.211 HD
ENDBRANCH  19  22
ENDBRANCH   7  19
BRANCH   1  25
ATOM     24  C   LIG    1       -2.112  -0.982   2.371  0.00  0.00    +0.197 C 
ATOM     25  O   LIG    1       -0.820  -1.252   1.865  0.00  0.00    -0.351 OA
ENDBRANCH   1  25
BRANCH   2  26
ATOM     26  C   LIG    1       -2.556   0.280  -0.564  0.00  0.00    +0.166 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.493   1.266   0.110  0.00  0.00    +0.059 A 
ATOM     28  N   LIG    1       -4.388   0.757   0.999  0.00  0.00    -0.257 NA
ATOM     29  C   LIG    1       -5.236   1.628   1.603  0.00  0.00    +0.131 A 
ATOM     30  C   LIG    1       -5.241   2.991   1.363  0.00  0.00    +0.059 A 
ATOM     31 CL   LIG    1       -6.346   4.027   2.169  0.00  0.00    -0.082 Cl
ATOM     32  C   LIG    1       -4.330   3.499   0.449  0.00  0.00    +0.023 A 
ATOM     33  C   LIG    1       -3.446   2.628  -0.188  0.00  0.00    +0.026 A 
ENDBRANCH  26  27
ENDBRANCH   2  26
TORSDOF 6