REMARK  Name = BDB041024
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.862  -0.305   0.007  0.00  0.00    +0.083 C 
ATOM      2  C   LIG    1        1.543   1.066   0.266  0.00  0.00    +0.171 C 
ATOM      3  C   LIG    1        1.494   1.585   1.731  0.00  0.00    +0.240 C 
ATOM      4  O   LIG    1        1.853   2.736   2.005  0.00  0.00    -0.273 OA
ATOM      5  N   LIG    1        1.218   0.720   2.761  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1        1.286   1.087   3.702  0.00  0.00    +0.156 HD
ATOM      7  C   LIG    1        0.912  -0.587   2.497  0.00  0.00    +0.127 A 
ATOM      8  N   LIG    1        0.696  -1.598   3.388  0.00  0.00    -0.253 N 
ATOM      9  C   LIG    1        0.728  -1.546   4.829  0.00  0.00    +0.174 C 
ATOM     10  N   LIG    1        0.413  -2.771   2.782  0.00  0.00    -0.175 NA
ATOM     11  C   LIG    1        0.443  -2.486   1.471  0.00  0.00    +0.066 A 
ATOM     12  C   LIG    1        0.157  -3.540   0.466  0.00  0.00    +0.068 C 
ATOM     13  C   LIG    1        0.740  -1.119   1.246  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  18
ATOM     14  C   LIG    1       -2.899   0.451  -0.347  0.00  0.00    +0.162 A 
ATOM     15  C   LIG    1       -3.141   0.103  -1.682  0.00  0.00    +0.162 A 
ATOM     16  C   LIG    1       -2.078  -0.381  -2.445  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1       -0.801  -0.509  -1.881  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1       -0.554  -0.158  -0.543  0.00  0.00    -0.034 A 
ATOM     19  C   LIG    1       -1.621   0.352   0.212  0.00  0.00    +0.053 A 
BRANCH  15  20
ATOM     20  O   LIG    1       -4.428   0.252  -2.126  0.00  0.00    -0.491 OA
ATOM     21  C   LIG    1       -4.665   0.051  -3.513  0.00  0.00    +0.277 C 
ENDBRANCH  15  20
BRANCH  14  22
ATOM     22  O   LIG    1       -3.923   0.951   0.421  0.00  0.00    -0.488 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -4.388  -0.048   1.339  0.00  0.00    +0.229 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -6.809   0.130   0.625  0.00  0.00    +0.007 C 
ATOM     25  C   LIG    1       -5.812   0.299   1.764  0.00  0.00    +0.038 C 
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  14  22
ENDBRANCH   1  18
BRANCH   2  26
ATOM     26  N   LIG    1        2.974   1.092  -0.101  0.00  0.00    -0.299 N 
ATOM     27  H   LIG    1        3.563   1.668   0.492  0.00  0.00    +0.150 HD
ATOM     28  C   LIG    1        3.363   0.956  -1.418  0.00  0.00    +0.245 C 
ATOM     29  O   LIG    1        2.590   0.657  -2.320  0.00  0.00    -0.270 OA
BRANCH  28  30
ATOM     30  C   LIG    1        4.798   1.224  -1.715  0.00  0.00    +0.037 A 
ATOM     31  C   LIG    1        5.800   1.047  -0.751  0.00  0.00    +0.014 A 
ATOM     32  C   LIG    1        7.135   1.306  -1.076  0.00  0.00    +0.021 A 
ATOM     33  C   LIG    1        7.469   1.732  -2.362  0.00  0.00    +0.041 A 
ATOM     34 CL   LIG    1        9.113   2.049  -2.756  0.00  0.00    -0.084 Cl
ATOM     35  C   LIG    1        6.480   1.893  -3.332  0.00  0.00    +0.021 A 
ATOM     36  C   LIG    1        5.145   1.635  -3.010  0.00  0.00    +0.014 A 
ENDBRANCH  28  30
ENDBRANCH   2  26
TORSDOF 7