REMARK  Name = BDB027899
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.749   1.056   0.597  0.00  0.00    -0.321 N 
ATOM      2  C   LIG    1       -0.786   1.904   1.789  0.00  0.00    +0.130 C 
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.980   0.250   0.375  0.00  0.00    +0.160 C 
ATOM      4  C   LIG    1       -1.754  -1.274   0.338  0.00  0.00    +0.240 C 
ATOM      5  O   LIG    1       -1.171  -1.901   1.222  0.00  0.00    -0.273 OA
ATOM      6  N   LIG    1       -2.326  -1.944  -0.717  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1       -2.156  -2.941  -0.726  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1       -3.471  -1.560  -1.364  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -4.146  -2.372  -1.991  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -3.916  -0.132  -1.162  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1       -2.740   0.774  -0.846  0.00  0.00    +0.041 C 
ENDBRANCH   1   3
BRANCH   1  15
ATOM     12  C   LIG    1        3.038  -0.252  -0.851  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1        2.923   0.307   0.415  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        1.671   0.737   0.887  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1        0.494   0.619   0.127  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1        0.648   0.059  -1.150  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1        1.894  -0.370  -1.631  0.00  0.00    +0.047 A 
BRANCH  12  19
ATOM     18  C   LIG    1        5.373  -0.636  -0.654  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        4.186  -0.708  -1.434  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
ENDBRANCH   1  15
TORSDOF 3