@<TRIPOS>MOLECULE
57453230
26 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     0.5837     4.3437    -2.3396	S.3	1	noname	-0.1833
2	O1     6.0949     0.1983    -4.9117	O.3	1	noname	-0.3669
3	O2     5.9848     1.8604    -3.2985	O.3	1	noname	-0.3669
4	O3     3.5195    -0.0808    -0.7666	O.2	1	noname	-0.2793
5	O4     4.2199     1.3525     1.0503	O.3	1	noname	-0.2033
6	N1     3.3576     1.0764    -2.6818	N.3	1	noname	-0.0603
7	N2     2.3894     4.3825    -0.7531	N.2	1	noname	-0.2161
8	N3     3.4768     2.2510     0.5597	N.2	1	noname	-0.1676
9	N4     1.5744     6.6621    -1.0614	N.3	1	noname	-0.0904
10	C1     4.2213     0.2215    -3.3969	C.3	1	noname	0.0540
11	C2     5.2251     1.0592    -4.1915	C.3	1	noname	0.1643
12	C3     3.3008     1.0056    -1.3448	C.2	1	noname	0.0680
13	C4     3.0050     2.1158    -0.6171	C.2	1	noname	0.1137
14	C5     2.2060     3.0817    -1.1445	C.2	1	noname	0.0598
15	C6     1.2150     2.7146    -2.0767	C.2	1	noname	0.0499
16	C7     1.5936     5.3400    -1.2793	C.2	1	noname	0.0986
17	H1     3.6382    -0.3935    -4.0824	H	1	noname	0.0485
18	H2     4.7569    -0.4212    -2.6982	H	1	noname	0.0485
19	H3     4.6895     1.7019    -4.8902	H	1	noname	0.0931
20	H4     2.8046     1.7157    -3.1576	H	1	noname	0.1315
21	H5     0.9505     1.8107    -2.4685	H	1	noname	0.0764
22	H6     6.7379     0.7349    -5.4207	H	1	noname	0.2133
23	H7     6.6278     2.3970    -3.8074	H	1	noname	0.2133
24	H8     0.8769     7.0683    -1.5994	H	1	noname	0.1266
25	H9     1.3992     6.8325    -0.1227	H	1	noname	0.1266
26	H10     4.4932     1.6126     1.9548	H	1	noname	0.2481
@<TRIPOS>BOND
1	1	15	1
2	1	16	1
3	2	11	1
4	2	22	1
5	3	11	1
6	3	23	1
7	4	12	2
8	5	8	1
9	5	26	1
10	6	10	1
11	6	12	1
12	6	20	1
13	7	14	1
14	7	16	2
15	8	13	2
16	9	16	1
17	9	24	1
18	9	25	1
19	10	11	1
20	10	17	1
21	10	18	1
22	11	19	1
23	12	13	1
24	13	14	1
25	14	15	2
26	15	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1