@<TRIPOS>MOLECULE
DB03879
26 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.4535     0.2726     0.2862	O.3	1	noname	-0.3440
2	C1     1.8940     0.0647     0.1268	C.3	1	noname	0.1859
3	C2    -0.4647     0.0126    -0.8243	C.3	1	noname	0.0866
4	O2     2.2644    -1.1658     0.7309	O.3	1	noname	-0.3530
5	C3     2.4392     0.1121    -1.3306	C.3	1	noname	0.1333
6	C4     0.0470    -0.9577    -1.9294	C.3	1	noname	0.1087
7	C5    -0.8810     1.3391    -1.4631	C.3	1	noname	-0.0359
8	C6     1.9414    -1.1307     2.1132	C.3	1	noname	0.0389
9	O3     3.7497    -0.4335    -1.3637	O.3	1	noname	-0.3849
10	C7     1.5267    -0.6650    -2.3302	C.3	1	noname	0.1133
11	O4    -0.7840    -0.8500    -3.0757	O.3	1	noname	-0.3875
12	O5     1.5559    -0.0218    -3.5958	O.3	1	noname	-0.3873
13	H1     2.3318     0.8781     0.7054	H	1	noname	0.0951
14	H2    -1.2864    -0.4868    -0.3110	H	1	noname	0.0629
15	H3     2.5504     1.1479    -1.6516	H	1	noname	0.0682
16	H4    -0.0561    -1.9904    -1.5963	H	1	noname	0.0656
17	H5    -1.1083     2.0635    -0.6810	H	1	noname	0.0258
18	H6    -0.0664     1.7158    -2.0817	H	1	noname	0.0258
19	H7    -1.7648     1.1829    -2.0817	H	1	noname	0.0258
20	H8     1.8529    -2.1490     2.4917	H	1	noname	0.0530
21	H9     2.7282    -0.6080     2.6570	H	1	noname	0.0530
22	H10     0.9950    -0.6080     2.2520	H	1	noname	0.0530
23	H11     4.0646    -0.5646    -0.4663	H	1	noname	0.2108
24	H12     1.9933    -1.6431    -2.4470	H	1	noname	0.0658
25	H13    -1.0116    -1.7282    -3.3896	H	1	noname	0.2106
26	H14     1.5719    -0.6839    -4.2909	H	1	noname	0.2106
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	1
6	3	7	1
7	4	8	1
8	5	9	1
9	5	10	1
10	6	11	1
11	6	10	1
12	10	12	1
13	2	13	1
14	3	14	1
15	5	15	1
16	6	16	1
17	7	17	1
18	7	18	1
19	7	19	1
20	8	20	1
21	8	21	1
22	8	22	1
23	9	23	1
24	10	24	1
25	11	25	1
26	12	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1