REMARK  Name = BDB049544
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.386   1.954  -3.171  0.00  0.00    +0.072 C 
ATOM      2  C   LIG    1       -0.587   2.564  -2.283  0.00  0.00    +0.072 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -0.470   2.173  -0.864  0.00  0.00    +0.240 C 
ATOM      4  N   LIG    1        0.777   1.788  -0.427  0.00  0.00    -0.295 N 
ATOM      5  C   LIG    1        1.959   1.643  -1.290  0.00  0.00    +0.127 C 
ATOM      6  C   LIG    1        3.272   1.431  -0.510  0.00  0.00    +0.124 C 
ATOM      7  N   LIG    1        3.162   0.306   0.429  0.00  0.00    -0.327 N 
ATOM      8  C   LIG    1        1.840   0.056   1.035  0.00  0.00    +0.124 C 
ATOM      9  C   LIG    1        0.927   1.293   0.945  0.00  0.00    +0.127 C 
ATOM     10  O   LIG    1       -1.477   2.202  -0.159  0.00  0.00    -0.271 OA
BRANCH   7  11
ATOM     11  C   LIG    1        4.282  -0.378   0.879  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1        4.177  -1.644   1.481  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1        5.300  -2.348   1.935  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        6.568  -1.799   1.796  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        6.709  -0.552   1.202  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        5.580   0.143   0.750  0.00  0.00    +0.023 A 
ENDBRANCH   7  11
ENDBRANCH   2   3
BRANCH   1  19
ATOM     17  N   LIG    1       -2.854   0.607  -1.784  0.00  0.00    -0.282 N 
ATOM     18  H   LIG    1       -2.644   1.315  -1.081  0.00  0.00    +0.155 HD
ATOM     19  C   LIG    1       -2.262   0.757  -3.011  0.00  0.00    +0.241 C 
ATOM     20  O   LIG    1       -2.414   0.044  -3.998  0.00  0.00    -0.270 OA
BRANCH  17  23
ATOM     21  C   LIG    1       -4.991  -1.372   0.488  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1       -4.147  -0.378  -0.024  0.00  0.00    +0.036 A 
ATOM     23  C   LIG    1       -3.704  -0.433  -1.354  0.00  0.00    +0.034 A 
ATOM     24  C   LIG    1       -4.110  -1.497  -2.161  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1       -4.941  -2.498  -1.650  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1       -5.377  -2.440  -0.328  0.00  0.00    +0.013 A 
BRANCH  21  30
ATOM     27  N   LIG    1       -5.505  -0.138   2.532  0.00  0.00    -0.325 N 
ATOM     28  H   LIG    1       -5.961  -0.131   3.436  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1       -5.463   0.737   2.030  0.00  0.00    +0.145 HD
ATOM     30  C   LIG    1       -5.477  -1.347   1.893  0.00  0.00    +0.242 C 
ATOM     31  O   LIG    1       -5.872  -2.360   2.457  0.00  0.00    -0.270 OA
ENDBRANCH  21  30
ENDBRANCH  17  23
ENDBRANCH   1  19
TORSDOF 5