REMARK  Name = BDB044046
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.725  -0.558   0.162  0.00  0.00    +0.079 A 
ATOM      2  C   LIG    1       -1.672   0.316  -0.047  0.00  0.00    +0.152 A 
ATOM      3  O   LIG    1       -0.329   0.042   0.075  0.00  0.00    -0.451 OA
ATOM      4  C   LIG    1        0.340   1.225  -0.205  0.00  0.00    +0.176 C 
ATOM      5  C   LIG    1       -0.626   2.308  -0.524  0.00  0.00    +0.231 C 
ATOM      6  O   LIG    1       -0.418   3.466  -0.813  0.00  0.00    -0.283 OA
ATOM      7  C   LIG    1        1.667   1.415  -0.215  0.00  0.00    +0.058 C 
ATOM      8  C   LIG    1       -1.916   1.642  -0.402  0.00  0.00    +0.068 A 
ATOM      9  C   LIG    1       -3.187   2.154  -0.576  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -4.258   1.280  -0.385  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -4.031  -0.064  -0.021  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        2.711   0.415   0.059  0.00  0.00    -0.021 A 
ATOM     13  C   LIG    1        2.527  -0.676   0.917  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        3.568  -1.578   1.161  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        4.810  -1.393   0.559  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        5.014  -0.304  -0.283  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        3.973   0.596  -0.528  0.00  0.00    +0.008 A 
ENDBRANCH   7  12
BRANCH   1  21
ATOM     18  N   LIG    1       -3.440  -2.593   1.283  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1       -3.198  -3.512   1.634  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1       -4.160  -2.086   1.776  0.00  0.00    +0.145 HD
ATOM     21  C   LIG    1       -2.473  -1.968   0.544  0.00  0.00    +0.245 C 
ATOM     22  O   LIG    1       -1.444  -2.555   0.242  0.00  0.00    -0.270 OA
ENDBRANCH   1  21
TORSDOF 2