REMARK  Name = BDB041048
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.497   0.860   0.622  0.00  0.00    +0.083 C 
ATOM      2  C   LIG    1        0.773   1.161  -0.219  0.00  0.00    +0.171 C 
ATOM      3  C   LIG    1        1.230   2.637  -0.064  0.00  0.00    +0.240 C 
ATOM      4  O   LIG    1        2.419   2.959   0.009  0.00  0.00    -0.273 OA
ATOM      5  N   LIG    1        0.254   3.608  -0.096  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1        0.554   4.575  -0.115  0.00  0.00    +0.156 HD
ATOM      7  C   LIG    1       -1.046   3.253   0.161  0.00  0.00    +0.127 A 
ATOM      8  N   LIG    1       -2.136   4.070   0.199  0.00  0.00    -0.253 N 
ATOM      9  C   LIG    1       -2.206   5.479  -0.096  0.00  0.00    +0.174 C 
ATOM     10  N   LIG    1       -3.251   3.426   0.588  0.00  0.00    -0.175 NA
ATOM     11  C   LIG    1       -2.857   2.159   0.793  0.00  0.00    +0.066 A 
ATOM     12  C   LIG    1       -3.843   1.163   1.287  0.00  0.00    +0.068 C 
ATOM     13  C   LIG    1       -1.474   1.991   0.507  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  18
ATOM     14  C   LIG    1       -3.192  -4.116  -0.845  0.00  0.00    +0.044 C 
ATOM     15  C   LIG    1       -2.532  -2.824  -0.467  0.00  0.00    -0.050 A 
ATOM     16  C   LIG    1       -2.027  -2.634   0.822  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1       -1.377  -1.445   1.162  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -1.212  -0.417   0.218  0.00  0.00    -0.038 A 
ATOM     19  C   LIG    1       -1.702  -0.626  -1.081  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -2.351  -1.816  -1.419  0.00  0.00    +0.003 A 
ENDBRANCH   1  18
BRANCH   2  21
ATOM     21  N   LIG    1        1.909   0.303   0.147  0.00  0.00    -0.299 N 
ATOM     22  H   LIG    1        2.640   0.754   0.689  0.00  0.00    +0.150 HD
ATOM     23  C   LIG    1        2.282  -0.758  -0.650  0.00  0.00    +0.245 C 
ATOM     24  O   LIG    1        1.658  -1.109  -1.643  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1        3.543  -1.456  -0.271  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        4.239  -2.159  -1.262  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        5.424  -2.829  -0.950  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        5.914  -2.806   0.355  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.218  -2.121   1.351  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        4.032  -1.450   1.043  0.00  0.00    +0.013 A 
ENDBRANCH  23  25
ENDBRANCH   2  21
TORSDOF 3