REMARK  Name = BDB027989
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.672   0.442   0.865  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1       -0.328   0.162   0.732  0.00  0.00    -0.264 N 
ATOM      3  C   LIG    1        0.645   0.827   1.592  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.974   1.111   0.871  0.00  0.00    +0.124 C 
ATOM      5  N   LIG    1        2.559  -0.100   0.240  0.00  0.00    -0.323 N 
ATOM      6  C   LIG    1        1.628  -1.230   0.039  0.00  0.00    +0.124 C 
ATOM      7  C   LIG    1        0.201  -0.752  -0.276  0.00  0.00    +0.130 C 
ATOM      8  O   LIG    1       -2.126   1.194   1.717  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        3.894  -0.150  -0.150  0.00  0.00    +0.098 C 
ATOM     10  C   LIG    1        4.825   1.033  -0.155  0.00  0.00    +0.265 C 
ATOM     11  O   LIG    1        4.552   2.182   0.142  0.00  0.00    -0.268 OA
ATOM     12  N   LIG    1        6.032   0.592  -0.571  0.00  0.00    -0.248 N 
ATOM     13  H   LIG    1        6.839   1.179  -0.690  0.00  0.00    +0.158 HD
ATOM     14  C   LIG    1        5.983  -0.716  -0.877  0.00  0.00    +0.245 C 
ATOM     15  O   LIG    1        6.878  -1.413  -1.314  0.00  0.00    -0.270 OA
ATOM     16  C   LIG    1        4.625  -1.179  -0.595  0.00  0.00    +0.096 C 
ENDBRANCH   5   9
BRANCH   1  17
ATOM     17  O   LIG    1       -2.416  -0.213  -0.063  0.00  0.00    -0.445 OA
BRANCH  17  19
ATOM     18  C   LIG    1       -4.304  -0.948  -1.281  0.00  0.00    +0.055 C 
ATOM     19  C   LIG    1       -3.858  -0.057  -0.111  0.00  0.00    +0.107 C 
ATOM     20  C   LIG    1       -4.519  -0.570   1.173  0.00  0.00    +0.055 C 
ATOM     21  C   LIG    1       -4.252   1.391  -0.422  0.00  0.00    +0.055 C 
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 3