REMARK  Name = BDB036785
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.216  -1.309   0.380  0.00  0.00    +0.245 C 
ATOM      2  N   LIG    1        1.093  -0.495  -0.308  0.00  0.00    -0.300 N 
ATOM      3  H   LIG    1        0.703   0.013  -1.097  0.00  0.00    +0.150 HD
ATOM      4  O   LIG    1        0.576  -2.280   1.035  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.506  -0.850  -0.416  0.00  0.00    +0.160 C 
ATOM      6  C   LIG    1        3.120   0.049  -1.496  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1        2.717   0.042  -2.660  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1        4.037   0.982  -1.085  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1        4.374   1.598  -1.814  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1        4.106   1.519   0.174  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1        4.619   2.619   0.361  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        3.442   0.739   1.282  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1        3.277  -0.722   0.898  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   1  16
ATOM     14  C   LIG    1       -3.041   0.594  -0.141  0.00  0.00    +0.121 A 
ATOM     15  C   LIG    1       -1.674   0.318  -0.036  0.00  0.00    +0.058 A 
ATOM     16  C   LIG    1       -1.231  -0.978   0.259  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1       -2.168  -1.995   0.472  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1       -3.531  -1.722   0.367  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -3.967  -0.431   0.058  0.00  0.00    +0.045 A 
BRANCH  14  21
ATOM     20  C   LIG    1       -4.710   2.240  -0.540  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -3.334   1.897  -0.437  0.00  0.00    -0.495 OA
ENDBRANCH  14  21
ENDBRANCH   1  16
TORSDOF 3