@<TRIPOS>MOLECULE
71438214
27 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.6650    -0.1586    -0.3033	S.3	1	noname	-0.0276
2	O1     3.7610    -1.6627    -0.0541	O.2	1	noname	-0.2820
3	C1     1.8005    -2.7550     0.6404	C.3	1	noname	0.0224
4	C2     1.3506    -3.6543    -0.5127	C.3	1	noname	-0.0549
5	C3     2.7191    -3.5450     1.5748	C.3	1	noname	-0.0549
6	C4     2.5228    -1.6039     0.1067	C.2	1	noname	0.1304
7	C5    -0.0878    -0.3837     0.0388	C.3	1	noname	0.0191
8	C6    -2.1143     0.8736    -0.1290	C.2	1	noname	-0.0781
9	C7    -0.7969     0.8110    -0.3001	C.2	1	noname	-0.0769
10	C8    -2.8234     2.0683    -0.4678	C.3	1	noname	-0.0442
11	C9    -2.8218    -0.2539     0.3938	C.3	1	noname	-0.0442
12	H1     0.9274    -2.4109     1.1948	H	1	noname	0.0386
13	H2     0.6962    -3.0915    -1.1784	H	1	noname	0.0238
14	H3     0.8114    -4.5137    -0.1142	H	1	noname	0.0238
15	H4     3.0396    -2.9043     2.3963	H	1	noname	0.0238
16	H5     2.1798    -4.4043     1.9733	H	1	noname	0.0238
17	H6     3.5922    -3.8891     1.0205	H	1	noname	0.0238
18	H7     2.2238    -3.9984    -1.0671	H	1	noname	0.0238
19	H8    -0.4702    -1.2140    -0.5550	H	1	noname	0.0428
20	H9    -0.2264    -0.6004     1.0980	H	1	noname	0.0428
21	H10    -0.3071     1.5915    -0.6620	H	1	noname	0.0584
22	H11    -3.1443     2.0176    -1.5083	H	1	noname	0.0276
23	H12    -3.6964     2.1680     0.1772	H	1	noname	0.0276
24	H13    -2.1700     2.9299    -0.3307	H	1	noname	0.0276
25	H14    -3.5644    -0.5853    -0.3320	H	1	noname	0.0276
26	H15    -3.3206     0.0282     1.3210	H	1	noname	0.0276
27	H16    -2.1196    -1.0639     0.5909	H	1	noname	0.0276
@<TRIPOS>BOND
1	1	6	1
2	1	7	1
3	2	6	2
4	3	4	1
5	3	5	1
6	3	6	1
7	3	12	1
8	4	13	1
9	4	14	1
10	4	18	1
11	5	15	1
12	5	16	1
13	5	17	1
14	7	9	1
15	7	19	1
16	7	20	1
17	8	9	2
18	8	10	1
19	8	11	1
20	9	21	1
21	10	22	1
22	10	23	1
23	10	24	1
24	11	25	1
25	11	26	1
26	11	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1