@<TRIPOS>MOLECULE
DB01613
26 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.6661    -1.5229     2.5717	O.2	1	noname	-0.0979
2	N1     0.8113    -1.4067     1.4216	N.2	1	noname	0.0543
3	O2    -0.1327    -1.6995     0.6322	O.3	1	noname	-0.0842
4	O3     1.9129    -0.9876     0.9623	O.3	1	noname	-0.0979
5	C1     0.2835    -1.4759    -0.7069	C.3	1	noname	0.1500
6	C2     0.6591    -0.0035    -0.8851	C.3	1	noname	0.1500
7	C3    -0.8583    -1.8301    -1.6618	C.3	1	noname	0.1137
8	O4    -0.4682     0.8107    -0.5976	O.3	1	noname	-0.0842
9	C4     1.1075     0.2375    -2.3279	C.3	1	noname	0.1137
10	O5    -1.2069    -3.1967    -1.4964	O.3	1	noname	-0.0882
11	N2    -0.1577     2.0281    -0.7449	N.2	1	noname	0.0543
12	O6     2.2348    -0.5767    -2.6154	O.3	1	noname	-0.0882
13	N3    -2.1509    -3.4896    -2.2859	N.2	1	noname	0.0527
14	O7    -0.9518     2.8590    -0.5545	O.2	1	noname	-0.0979
15	O8     1.0151     2.3433    -1.0989	O.3	1	noname	-0.0979
16	N4     2.6056    -0.3775    -3.8083	N.2	1	noname	0.0527
17	O9    -2.5821    -4.5717    -2.3022	O.2	1	noname	-0.0983
18	O10    -2.6267    -2.6074    -3.0577	O.3	1	noname	-0.0983
19	O11     3.5213    -0.9555    -4.2379	O.2	1	noname	-0.0983
20	O12     1.9821     0.4494    -4.5348	O.3	1	noname	-0.0983
21	H1     1.1444    -2.1273    -0.8570	H	1	noname	0.0689
22	H2     1.4269     0.3004    -0.1736	H	1	noname	0.0689
23	H3    -1.7401    -1.2662    -1.3576	H	1	noname	0.0626
24	H4    -0.4834    -1.7471    -2.6819	H	1	noname	0.0626
25	H5     0.3173    -0.1155    -2.9905	H	1	noname	0.0626
26	H6     1.4639     1.2648    -2.4036	H	1	noname	0.0626
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	5	3	1
5	5	6	1
6	5	7	1
7	6	8	1
8	6	9	1
9	7	10	1
10	8	11	1
11	9	12	1
12	10	13	1
13	11	14	2
14	11	15	1
15	12	16	1
16	13	17	2
17	13	18	1
18	16	19	2
19	16	20	1
20	5	21	1
21	6	22	1
22	7	23	1
23	7	24	1
24	9	25	1
25	9	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1