REMARK  Name = BDB045049
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.191   0.544   3.013  0.00  0.00    +0.096 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.150   0.359   2.326  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -2.152   0.000   3.211  0.00  0.00    -0.257 N 
ATOM      4  H   LIG    1       -1.950  -0.068   4.198  0.00  0.00    +0.158 HD
ATOM      5  O   LIG    1       -1.325   0.544   1.125  0.00  0.00    -0.275 OA
BRANCH   3   6
ATOM      6  C   LIG    1       -3.449  -0.316   2.925  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -4.149  -0.582   3.966  0.00  0.00    -0.270 NA
ATOM      8  H   LIG    1       -5.092  -0.849   3.678  0.00  0.00    +0.190 HD
BRANCH   6   9
ATOM      9  N   LIG    1       -3.874  -0.339   1.641  0.00  0.00    -0.354 N 
ATOM     10  H   LIG    1       -3.183   0.020   0.976  0.00  0.00    +0.163 HD
BRANCH   9  11
ATOM     11  C   LIG    1       -5.238  -0.120   1.223  0.00  0.00    +0.151 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -5.328  -0.173  -0.282  0.00  0.00    -0.028 A 
ATOM     13  C   LIG    1       -5.438   1.005  -1.035  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1       -5.506   0.949  -2.428  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -5.457  -0.281  -3.082  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -5.336  -1.457  -2.345  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -5.269  -1.404  -0.952  0.00  0.00    +0.005 A 
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   6   9
ENDBRANCH   3   6
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        1.340   0.799   2.035  0.00  0.00    +0.014 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.755  -0.475   1.281  0.00  0.00    +0.038 C 
BRANCH  19  24
ATOM     20  C   LIG    1        4.578   0.966  -0.914  0.00  0.00    +0.162 A 
ATOM     21  C   LIG    1        4.781  -0.072  -1.845  0.00  0.00    +0.164 A 
ATOM     22  C   LIG    1        4.021  -1.236  -1.749  0.00  0.00    +0.082 A 
ATOM     23  C   LIG    1        3.059  -1.357  -0.733  0.00  0.00    +0.133 A 
ATOM     24  C   LIG    1        2.814  -0.329   0.202  0.00  0.00    -0.013 A 
ATOM     25  C   LIG    1        3.608   0.828   0.093  0.00  0.00    +0.055 A 
BRANCH  23  26
ATOM     26  N   LIG    1        2.324  -2.618  -0.681  0.00  0.00    +0.057 N 
ATOM     27  O   LIG    1        1.804  -3.011  -1.735  0.00  0.00    -0.126 OA
ATOM     28  O   LIG    1        2.301  -3.224   0.398  0.00  0.00    -0.126 OA
ENDBRANCH  23  26
BRANCH  20  30
ATOM     29  C   LIG    1        5.153   3.185  -0.219  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1        5.378   2.071  -1.071  0.00  0.00    -0.491 OA
ENDBRANCH  20  30
BRANCH  21  31
ATOM     31  O   LIG    1        5.748   0.146  -2.793  0.00  0.00    -0.491 OA
ATOM     32  C   LIG    1        5.908  -0.828  -3.816  0.00  0.00    +0.277 C 
ENDBRANCH  21  31
ENDBRANCH  19  24
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 11