@<TRIPOS>MOLECULE
71587386
27 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.2493     0.0367    -0.3496	S.3	1	noname	-0.1694
2	S2    -3.2455     0.1515     0.1337	S.3	1	noname	-0.1959
3	O1     3.5764     3.2185     0.1229	O.2	1	noname	-0.2817
4	O2     5.2223     0.9605     0.6255	O.3	1	noname	-0.3881
5	C1    -0.4515     0.4125    -0.1090	C.2	1	noname	0.0556
6	C2    -1.5793    -0.4100     0.0285	C.2	1	noname	0.0267
7	C3     1.9310     1.6398    -0.0582	C.2	1	noname	0.0526
8	C4    -0.4443     1.7725     0.2163	C.2	1	noname	0.0012
9	C5     0.8077     2.4229     0.2422	C.2	1	noname	0.0179
10	C6    -1.6345    -1.7511     0.4342	C.2	1	noname	-0.0043
11	C7     3.2635     2.0316    -0.1136	C.2	1	noname	0.1302
12	C8    -2.8812    -2.1402     0.9940	C.2	1	noname	-0.0060
13	C9    -3.9399    -1.2101     1.0146	C.2	1	noname	0.0501
14	C10     4.2977     1.0568    -0.4480	C.3	1	noname	0.1072
15	C11    -5.1139    -1.3248     1.5417	C.1	1	noname	-0.0240
16	C12    -6.1989    -1.4308     2.0288	C.1	1	noname	-0.0760
17	C13    -7.4365    -1.5518     2.5844	C.3	1	noname	-0.0023
18	H1    -1.3078     2.2733     0.4260	H	1	noname	0.0638
19	H2     0.8913     3.4140     0.4683	H	1	noname	0.0639
20	H3    -0.8473    -2.3922     0.3360	H	1	noname	0.0638
21	H4    -3.0079    -3.0779     1.3749	H	1	noname	0.0644
22	H5     3.8378     0.0836    -0.6199	H	1	noname	0.0650
23	H6     4.8201     1.3762    -1.3498	H	1	noname	0.0650
24	H7     5.9164     0.3062     0.4010	H	1	noname	0.2106
25	H8    -8.1957    -1.3854     1.8202	H	1	noname	0.0365
26	H9    -7.5521    -2.5530     2.9995	H	1	noname	0.0365
27	H10    -7.5521    -0.8138     3.3781	H	1	noname	0.0365
@<TRIPOS>BOND
1	1	5	1
2	1	7	1
3	2	6	1
4	2	13	1
5	3	11	2
6	4	14	1
7	4	24	1
8	5	6	1
9	5	8	2
10	6	10	2
11	7	9	2
12	7	11	1
13	8	9	1
14	8	18	1
15	9	19	1
16	10	12	1
17	10	20	1
18	11	14	1
19	12	13	2
20	12	21	1
21	13	15	1
22	14	22	1
23	14	23	1
24	15	16	3
25	16	17	1
26	17	25	1
27	17	26	1
28	17	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1