REMARK  Name = BDB005091
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.849  -0.668  -3.413  0.00  0.00    +0.138 C 
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1        1.892  -1.763  -0.976  0.00  0.00    +0.034 A 
ATOM      3  C   LIG    1        1.025  -0.966  -1.735  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1        0.089  -1.539  -2.611  0.00  0.00    -0.029 A 
ATOM      5  C   LIG    1        0.021  -2.934  -2.707  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        0.883  -3.734  -1.958  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        1.817  -3.150  -1.098  0.00  0.00    +0.023 A 
BRANCH   2   9
ATOM      8  C   LIG    1        3.751  -1.662   0.696  0.00  0.00    +0.249 C 
ATOM      9  N   LIG    1        2.784  -1.098  -0.112  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1        2.720  -0.088  -0.100  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1        4.088  -2.837   0.760  0.00  0.00    -0.270 OA
BRANCH   8  14
ATOM     12  C   LIG    1        2.352   0.047   2.746  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1        3.826   0.146   2.472  0.00  0.00    -0.038 A 
ATOM     14  C   LIG    1        4.479  -0.672   1.530  0.00  0.00    +0.040 A 
ATOM     15  C   LIG    1        5.865  -0.585   1.345  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        6.608   0.347   2.066  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        5.970   1.189   2.974  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        4.591   1.090   3.176  0.00  0.00    +0.004 A 
ENDBRANCH   8  14
ENDBRANCH   2   9
ENDBRANCH   1   4
BRANCH   1  19
ATOM     19  N   LIG    1       -2.158  -0.603  -2.773  0.00  0.00    -0.324 N 
ATOM     20  H   LIG    1       -2.904  -0.563  -3.461  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.371   0.423  -1.830  0.00  0.00    +0.130 A 
ATOM     22  C   LIG    1       -3.577   0.441  -1.097  0.00  0.00    +0.041 A 
ATOM     23  C   LIG    1       -3.760   1.512  -0.201  0.00  0.00    +0.088 A 
ATOM     24  C   LIG    1       -4.966   1.550   0.531  0.00  0.00    +0.063 A 
ATOM     25  C   LIG    1       -5.947   0.550   0.382  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -5.749  -0.508  -0.489  0.00  0.00    +0.002 A 
ATOM     27  N   LIG    1       -2.802   2.457  -0.065  0.00  0.00    -0.235 NA
ATOM     28  C   LIG    1       -1.689   2.331  -0.795  0.00  0.00    +0.223 A 
ATOM     29  C   LIG    1       -4.571  -0.563  -1.222  0.00  0.00    +0.013 A 
ATOM     30  N   LIG    1       -1.426   1.362  -1.669  0.00  0.00    -0.220 NA
BRANCH  24  31
ATOM     31  C   LIG    1       -5.298   2.635   1.508  0.00  0.00    +0.244 C 
ATOM     32  O   LIG    1       -6.363   2.648   2.117  0.00  0.00    -0.270 OA
ATOM     33  N   LIG    1       -4.387   3.627   1.716  0.00  0.00    -0.325 N 
ATOM     34  H   LIG    1       -3.503   3.635   1.216  0.00  0.00    +0.145 HD
ATOM     35  H   LIG    1       -4.605   4.364   2.370  0.00  0.00    +0.145 HD
ENDBRANCH  24  31
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 6