REMARK  Name = BDB019182
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.108  -0.376   1.615  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1       -0.633  -1.414   0.596  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1        0.830  -1.562   0.966  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1        1.228  -0.164   1.428  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1        0.020   0.462   1.942  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        1.835   0.752   0.328  0.00  0.00    +0.180 C 
ATOM      7  C   LIG    1        3.286   0.447  -0.044  0.00  0.00    -0.012 A 
ATOM      8  C   LIG    1        3.685   0.422  -1.392  0.00  0.00    -0.038 A 
ATOM      9  C   LIG    1        5.027   0.204  -1.734  0.00  0.00    +0.025 A 
ATOM     10  C   LIG    1        5.987  -0.002  -0.740  0.00  0.00    +0.060 A 
ATOM     11  C   LIG    1        5.606   0.030   0.602  0.00  0.00    +0.060 A 
ATOM     12 CL   LIG    1        6.737  -0.194   1.890  0.00  0.00    -0.082 Cl
ATOM     13 CL   LIG    1        7.618  -0.275  -1.239  0.00  0.00    -0.082 Cl
ATOM     14  C   LIG    1        2.664   0.690  -2.463  0.00  0.00    +0.063 C 
ATOM     15  C   LIG    1        1.311   0.198  -1.983  0.00  0.00    +0.165 C 
ATOM     16  C   LIG    1        4.268   0.262   0.945  0.00  0.00    +0.028 A 
ATOM     17  O   LIG    1        0.922   0.865  -0.785  0.00  0.00    -0.369 OA
ENDBRANCH   4   6
BRANCH   1  22
ATOM     18  C   LIG    1       -5.558   0.668  -0.015  0.00  0.00    +0.129 A 
ATOM     19  C   LIG    1       -4.245   0.985   0.360  0.00  0.00    +0.058 A 
ATOM     20  C   LIG    1       -3.450   2.162   0.426  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1       -2.203   1.799   0.889  0.00  0.00    +0.091 A 
ATOM     22  N   LIG    1       -2.208   0.442   1.110  0.00  0.00    -0.303 N 
ATOM     23  C   LIG    1       -3.444  -0.067   0.782  0.00  0.00    +0.148 A 
ATOM     24  N   LIG    1       -3.798  -1.365   0.852  0.00  0.00    -0.218 NA
ATOM     25  C   LIG    1       -5.080  -1.541   0.476  0.00  0.00    +0.225 A 
ATOM     26  N   LIG    1       -5.963  -0.615   0.058  0.00  0.00    -0.220 NA
BRANCH  18  27
ATOM     27  N   LIG    1       -6.483   1.606  -0.448  0.00  0.00    -0.343 N 
ATOM     28  H   LIG    1       -7.424   1.234  -0.393  0.00  0.00    +0.144 HD
ATOM     29  H   LIG    1       -6.346   2.538  -0.082  0.00  0.00    +0.144 HD
ENDBRANCH  18  27
ENDBRANCH   1  22
BRANCH   2  30
ATOM     30  O   LIG    1       -1.289  -2.684   0.696  0.00  0.00    -0.385 OA
ATOM     31  H   LIG    1       -2.253  -2.494   0.658  0.00  0.00    +0.210 HD
ENDBRANCH   2  30
BRANCH   3  32
ATOM     32  O   LIG    1        0.932  -2.478   2.072  0.00  0.00    -0.386 OA
ATOM     33  H   LIG    1        0.297  -3.196   1.864  0.00  0.00    +0.210 HD
ENDBRANCH   3  32
TORSDOF 5