REMARK  Name = BDB027947
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.896  -0.567   0.189  0.00  0.00    -0.319 N 
ATOM      2  C   LIG    1       -1.293  -1.538   1.209  0.00  0.00    +0.130 C 
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.806   0.552  -0.130  0.00  0.00    +0.160 C 
ATOM      4  C   LIG    1       -2.557   1.137   1.085  0.00  0.00    +0.240 C 
ATOM      5  O   LIG    1       -2.084   1.238   2.216  0.00  0.00    -0.273 OA
ATOM      6  N   LIG    1       -3.819   1.633   0.838  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1       -4.292   2.040   1.633  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1       -4.470   1.734  -0.364  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -5.553   2.305  -0.450  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -3.751   1.181  -1.569  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1       -2.814   0.053  -1.173  0.00  0.00    +0.041 C 
ENDBRANCH   1   3
BRANCH   1  15
ATOM     12  C   LIG    1        3.272   0.195   0.294  0.00  0.00    +0.124 A 
ATOM     13  C   LIG    1        2.776  -0.947  -0.342  0.00  0.00    +0.093 A 
ATOM     14  C   LIG    1        1.400  -1.209  -0.387  0.00  0.00    +0.144 A 
ATOM     15  C   LIG    1        0.488  -0.306   0.213  0.00  0.00    +0.073 A 
ATOM     16  C   LIG    1        1.008   0.831   0.852  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1        2.384   1.082   0.892  0.00  0.00    +0.047 A 
BRANCH  12  19
ATOM     18  C   LIG    1        5.191   1.457   0.909  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        4.634   0.320   0.261  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
BRANCH  14  20
ATOM     20  O   LIG    1        0.844  -2.304  -1.008  0.00  0.00    -0.493 OA
ATOM     21  C   LIG    1        1.727  -3.224  -1.633  0.00  0.00    +0.277 C 
ENDBRANCH  14  20
ENDBRANCH   1  15
TORSDOF 4