@<TRIPOS>MOLECULE
71587678
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     3.9089     2.8925    -0.3596	S.3	1	noname	-0.0735
2	S2     2.4696     1.7518     0.6733	S.3	1	noname	-0.0687
3	O1     5.4627     6.2824     0.8974	O.3	1	noname	-0.3771
4	O2    -1.1070     3.2100     1.2308	O.3	1	noname	-0.3767
5	C1     4.1515     4.4011     0.6073	C.3	1	noname	0.0436
6	C2     5.2194     5.2533    -0.0552	C.3	1	noname	0.0676
7	C3     4.7684     4.2566     1.9935	C.3	1	noname	-0.0143
8	C4     5.4756     5.6171     2.1657	C.3	1	noname	0.0483
9	C5     4.6575     5.8686    -1.3384	C.3	1	noname	-0.0376
10	C6     0.9829     2.6797     0.7437	C.2	1	noname	0.0241
11	C7    -0.1891     2.2169     1.3246	C.2	1	noname	0.0627
12	C8     0.7492     3.9728     0.2842	C.2	1	noname	0.0193
13	C9    -0.3957     0.9026     1.9259	C.3	1	noname	0.0509
14	C10    -0.5573     4.2833     0.6095	C.2	1	noname	0.0281
15	H1     3.2395     4.9728     0.6995	H	1	noname	0.0453
16	H2     6.1244     4.6618    -0.1938	H	1	noname	0.0612
17	H3     3.9759     4.1626     2.7359	H	1	noname	0.0302
18	H4     5.5025     3.4508     1.9941	H	1	noname	0.0302
19	H5     4.9345     6.2179     2.8967	H	1	noname	0.0566
20	H6     6.4913     5.4301     2.5141	H	1	noname	0.0566
21	H7     4.4712     5.0805    -2.0679	H	1	noname	0.0257
22	H8     3.7240     6.3851    -1.1152	H	1	noname	0.0257
23	H9     5.3771     6.5785    -1.7463	H	1	noname	0.0257
24	H10     1.4147     4.5755    -0.1997	H	1	noname	0.0656
25	H11    -1.1968     0.3840     1.3992	H	1	noname	0.0301
26	H12    -0.6678     1.0216     2.9746	H	1	noname	0.0301
27	H13     0.5233     0.3211     1.8527	H	1	noname	0.0301
28	H14    -1.0276     5.1674     0.4158	H	1	noname	0.0901
@<TRIPOS>BOND
1	1	2	1
2	1	5	1
3	2	10	1
4	3	6	1
5	3	8	1
6	4	11	1
7	4	14	1
8	5	6	1
9	5	7	1
10	5	15	1
11	6	9	1
12	6	16	1
13	7	8	1
14	7	17	1
15	7	18	1
16	8	19	1
17	8	20	1
18	9	21	1
19	9	22	1
20	9	23	1
21	10	11	2
22	10	12	1
23	11	13	1
24	12	14	2
25	12	24	1
26	13	25	1
27	13	26	1
28	13	27	1
29	14	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1