REMARK  Name = BDB027955
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.228   1.568   0.905  0.00  0.00    -0.332 N 
ATOM      2  H   LIG    1        0.567   1.953   1.794  0.00  0.00    +0.147 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.472   0.371   1.212  0.00  0.00    +0.035 A 
ATOM      4  C   LIG    1       -1.649   0.015   0.497  0.00  0.00    +0.003 A 
ATOM      5  C   LIG    1       -2.270  -1.231   0.763  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1       -3.429  -1.599   0.059  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1       -3.989  -0.750  -0.896  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -3.401   0.481  -1.155  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -1.725  -2.086   1.731  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -0.583  -1.723   2.440  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -2.248   0.858  -0.465  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        0.039  -0.505   2.181  0.00  0.00    +0.023 A 
ENDBRANCH   1   3
BRANCH   1  19
ATOM     13  O   LIG    1        4.622  -0.468  -1.789  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        3.640   0.045  -1.261  0.00  0.00    +0.219 C 
ATOM     15  N   LIG    1        3.609   0.282   0.090  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1        4.435   0.009   0.604  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        2.662   0.985   0.795  0.00  0.00    +0.239 C 
ATOM     18  O   LIG    1        2.854   1.283   1.974  0.00  0.00    -0.273 OA
ATOM     19  C   LIG    1        1.415   1.434   0.016  0.00  0.00    +0.158 C 
ATOM     20  C   LIG    1        1.191   0.555  -1.213  0.00  0.00    +0.041 C 
ATOM     21  C   LIG    1        2.454   0.528  -2.060  0.00  0.00    +0.098 C 
ENDBRANCH   1  19
TORSDOF 2