REMARK  Name = BDB022796
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.065   0.742   1.377  0.00  0.00    +0.123 C 
ATOM      2  C   LIG    1       -0.039   1.272   0.401  0.00  0.00    +0.027 C 
ATOM      3  C   LIG    1        1.146   0.328   0.382  0.00  0.00    +0.034 C 
ATOM      4  C   LIG    1        0.853  -0.789   1.368  0.00  0.00    +0.154 C 
ATOM      5  C   LIG    1        1.300   1.764   0.871  0.00  0.00    +0.019 C 
ATOM      6  C   LIG    1       -0.678  -0.738   1.608  0.00  0.00    +0.167 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -5.081   0.398  -1.371  0.00  0.00    +0.129 A 
ATOM      8  C   LIG    1       -4.336   0.807  -0.257  0.00  0.00    +0.058 A 
ATOM      9  C   LIG    1       -4.588   1.534   0.938  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1       -3.410   1.592   1.652  0.00  0.00    +0.089 A 
ATOM     11  N   LIG    1       -2.446   0.922   0.936  0.00  0.00    -0.326 N 
ATOM     12  C   LIG    1       -2.995   0.451  -0.234  0.00  0.00    +0.146 A 
ATOM     13  N   LIG    1       -2.345  -0.236  -1.187  0.00  0.00    -0.218 NA
ATOM     14  C   LIG    1       -3.162  -0.583  -2.194  0.00  0.00    +0.225 A 
ATOM     15  N   LIG    1       -4.471  -0.315  -2.334  0.00  0.00    -0.220 NA
BRANCH   7  16
ATOM     16  N   LIG    1       -6.431   0.654  -1.539  0.00  0.00    -0.343 N 
ATOM     17  H   LIG    1       -6.950   0.807  -0.686  0.00  0.00    +0.144 HD
ATOM     18  H   LIG    1       -6.835   0.010  -2.208  0.00  0.00    +0.144 HD
ENDBRANCH   7  16
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  O   LIG    1        1.533  -0.528   2.605  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1        2.228  -1.213   2.670  0.00  0.00    +0.210 HD
ENDBRANCH   4  19
BRANCH   6  21
ATOM     21  O   LIG    1       -0.971  -1.154   2.944  0.00  0.00    -0.387 OA
ATOM     22  H   LIG    1       -0.233  -0.829   3.485  0.00  0.00    +0.210 HD
ENDBRANCH   6  21
BRANCH   3  23
ATOM     23  C   LIG    1        1.733  -0.080  -0.948  0.00  0.00    +0.154 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.176  -0.527  -0.789  0.00  0.00    -0.017 A 
ATOM     25  C   LIG    1        4.184   0.436  -0.617  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1        5.524   0.063  -0.455  0.00  0.00    +0.060 A 
ATOM     27 CL   LIG    1        6.689   1.320  -0.244  0.00  0.00    -0.082 Cl
ATOM     28  C   LIG    1        5.875  -1.286  -0.460  0.00  0.00    +0.059 A 
ATOM     29 CL   LIG    1        7.505  -1.823  -0.267  0.00  0.00    -0.082 Cl
ATOM     30  C   LIG    1        4.886  -2.254  -0.631  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1        3.550  -1.878  -0.803  0.00  0.00    +0.008 A 
ENDBRANCH  23  24
BRANCH  23  32
ATOM     32  O   LIG    1        0.936  -1.131  -1.476  0.00  0.00    -0.387 OA
ATOM     33  H   LIG    1        0.954  -1.037  -2.441  0.00  0.00    +0.210 HD
ENDBRANCH  23  32
ENDBRANCH   3  23
TORSDOF 7