REMARK  Name = BDB049967
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.699  -1.734  -0.108  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1       -0.018  -0.963   1.002  0.00  0.00    +0.118 C 
ATOM      3  N   LIG    1       -1.304  -0.595   0.424  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1       -2.308  -0.065   1.226  0.00  0.00    +0.285 C 
ATOM      5  O   LIG    1       -2.071   0.173   2.413  0.00  0.00    -0.267 OA
ATOM      6  C   LIG    1       -1.321  -0.838  -1.012  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1        0.136  -1.093  -1.380  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        4.746  -4.380   0.304  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1        4.130  -3.018   0.192  0.00  0.00    +0.039 A 
ATOM     10  N   LIG    1        2.783  -2.953   0.096  0.00  0.00    -0.256 NA
ATOM     11  C   LIG    1        2.200  -1.735  -0.008  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1        2.947  -0.560  -0.022  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1        4.339  -0.630   0.075  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1        4.936  -1.886   0.188  0.00  0.00    +0.031 A 
BRANCH  13  15
ATOM     15  C   LIG    1        5.158   0.570   0.071  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        4.835   1.755  -0.560  0.00  0.00    +0.116 A 
ATOM     17  N   LIG    1        5.876   2.610  -0.330  0.00  0.00    -0.274 N 
ATOM     18  C   LIG    1        6.001   3.971  -0.790  0.00  0.00    +0.172 C 
ATOM     19  N   LIG    1        6.862   2.067   0.405  0.00  0.00    -0.179 NA
ATOM     20  C   LIG    1        6.424   0.829   0.647  0.00  0.00    +0.142 A 
ENDBRANCH  13  15
ENDBRANCH   1  11
BRANCH   4  21
ATOM     21  C   LIG    1       -3.615   0.210   0.666  0.00  0.00    +0.222 A 
ATOM     22  O   LIG    1       -3.962  -0.215  -0.580  0.00  0.00    -0.350 OA
ATOM     23  N   LIG    1       -5.258   0.165  -0.868  0.00  0.00    -0.082 NA
ATOM     24  C   LIG    1       -5.702   0.804   0.222  0.00  0.00    +0.087 A 
ATOM     25  C   LIG    1       -4.702   0.854   1.218  0.00  0.00    +0.081 A 
BRANCH  24  26
ATOM     26  C   LIG    1       -7.094   1.358   0.287  0.00  0.00    +0.035 C 
ATOM     27  C   LIG    1       -8.151   0.257   0.174  0.00  0.00    +0.014 C 
ATOM     28  C   LIG    1       -7.327   2.439  -0.770  0.00  0.00    +0.014 C 
ENDBRANCH  24  26
ENDBRANCH   4  21
TORSDOF 4