REMARK  Name = BDB046115
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.904  -0.440   0.307  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1        1.342   0.839   0.173  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -0.052   1.025   0.089  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -0.922  -0.087   0.141  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1       -0.359  -1.360   0.273  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        1.029  -1.532   0.354  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        5.615  -0.230  -0.471  0.00  0.00    +0.059 A 
ATOM      8  C   LIG    1        4.226  -0.053  -0.553  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1        3.362  -0.628   0.395  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1        3.933  -1.387   1.431  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        5.316  -1.568   1.519  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        6.158  -0.991   0.570  0.00  0.00    +0.015 A 
BRANCH   7  14
ATOM     13  O   LIG    1        6.070   1.097  -2.427  0.00  0.00    -0.245 OA
ATOM     14  C   LIG    1        6.465   0.406  -1.506  0.00  0.00    +0.337 C 
BRANCH  14  15
ATOM     15  O   LIG    1        7.774   0.148  -1.339  0.00  0.00    -0.477 OA
ATOM     16  H   LIG    1        8.203   0.621  -2.083  0.00  0.00    +0.295 HD
ENDBRANCH  14  15
ENDBRANCH   7  14
ENDBRANCH   1   9
BRANCH   4  17
ATOM     17  N   LIG    1       -2.323   0.112   0.049  0.00  0.00    -0.281 N 
ATOM     18  H   LIG    1       -2.611   1.084  -0.080  0.00  0.00    +0.155 HD
ATOM     19  C   LIG    1       -3.329  -0.829   0.117  0.00  0.00    +0.250 C 
ATOM     20  O   LIG    1       -3.209  -2.028   0.339  0.00  0.00    -0.270 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -4.705  -0.288  -0.018  0.00  0.00    +0.055 A 
ATOM     22  C   LIG    1       -5.110   0.558  -1.060  0.00  0.00    +0.054 A 
ATOM     23 CL   LIG    1       -4.062   1.030  -2.349  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1       -6.428   1.025  -1.106  0.00  0.00    +0.040 A 
ATOM     25  C   LIG    1       -7.339   0.638  -0.124  0.00  0.00    +0.042 A 
ATOM     26 CL   LIG    1       -8.958   1.216  -0.187  0.00  0.00    -0.083 Cl
ATOM     27  C   LIG    1       -6.952  -0.218   0.904  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1       -5.637  -0.686   0.954  0.00  0.00    +0.016 A 
ENDBRANCH  19  21
ENDBRANCH   4  17
BRANCH   3  29
ATOM     29  C   LIG    1       -0.599   2.404  -0.044  0.00  0.00    +0.339 C 
ATOM     30  O   LIG    1       -1.783   2.698  -0.060  0.00  0.00    -0.245 OA
BRANCH  29  31
ATOM     31  O   LIG    1        0.349   3.351  -0.155  0.00  0.00    -0.477 OA
ATOM     32  H   LIG    1       -0.147   4.191  -0.247  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH   3  29
TORSDOF 7