@<TRIPOS>MOLECULE
71587717
26 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     0.1508     1.0699    -1.1115	S.3	1	noname	-0.0916
2	S2     1.8279     0.3472    -2.1800	S.3	1	noname	-0.0927
3	O1    -5.5449     4.8859     2.3555	O.3	1	noname	-0.2189
4	O2    -4.8647     5.7256     0.3795	O.2	1	noname	-0.2559
5	C1     0.6606     2.8333    -1.1574	C.3	1	noname	0.0160
6	C2    -0.5836     3.7237    -1.1686	C.3	1	noname	-0.0404
7	C3     1.4731     3.0586    -2.4702	C.3	1	noname	-0.0305
8	C4    -1.4081     3.4639     0.0938	C.3	1	noname	-0.0517
9	C5     1.9932     1.8198    -3.2647	C.3	1	noname	0.0048
10	C6    -2.6522     4.3543     0.0826	C.3	1	noname	-0.0439
11	C7    -3.4767     4.0945     1.3450	C.3	1	noname	0.0335
12	C8    -4.6640     4.9442     1.3343	C.2	1	noname	0.1348
13	H1     1.3198     3.0216    -0.3100	H	1	noname	0.0425
14	H2    -1.1852     3.4964    -2.0487	H	1	noname	0.0278
15	H3    -0.2810     4.7705    -1.1959	H	1	noname	0.0278
16	H4     0.9096     3.7089    -3.1392	H	1	noname	0.0287
17	H5     2.3459     3.6295    -2.1533	H	1	noname	0.0287
18	H6    -1.7107     2.4171     0.1210	H	1	noname	0.0267
19	H7    -0.8065     3.6913     0.9738	H	1	noname	0.0267
20	H8     1.3869     1.6816    -4.1599	H	1	noname	0.0389
21	H9     3.0191     1.9587    -3.6058	H	1	noname	0.0389
22	H10    -3.2538     4.1270    -0.7975	H	1	noname	0.0272
23	H11    -2.3496     5.4011     0.0553	H	1	noname	0.0272
24	H12    -3.7793     3.0477     1.3722	H	1	noname	0.0372
25	H13    -2.8751     4.3219     2.2250	H	1	noname	0.0372
26	H14    -6.4935     5.0732     2.1957	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	1
2	1	5	1
3	2	9	1
4	3	12	1
5	3	26	1
6	4	12	2
7	5	6	1
8	5	7	1
9	5	13	1
10	6	8	1
11	6	14	1
12	6	15	1
13	7	9	1
14	7	16	1
15	7	17	1
16	8	10	1
17	8	18	1
18	8	19	1
19	9	20	1
20	9	21	1
21	10	11	1
22	10	22	1
23	10	23	1
24	11	12	1
25	11	24	1
26	11	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1