@<TRIPOS>MOLECULE
76959556
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.8170    -0.5695    -0.3924	S	1	noname	-0.0640
2	F1     0.5296     3.2945     0.1904	F	1	noname	-0.1660
3	F2     2.7519     3.2867     0.4622	F	1	noname	-0.1660
4	F3     1.5596     1.4523     0.9373	F	1	noname	-0.1660
5	F4     0.1813    -3.7512    -4.5032	F	1	noname	-0.2077
6	F5     2.1533    -3.0769    -5.3211	F	1	noname	-0.2077
7	O1     2.2700    -0.9805    -3.4668	O.3	1	noname	-0.2557
8	O2     2.9035    -0.1868     0.7266	O.2	1	noname	-0.1894
9	O3     2.2299    -2.0412    -0.9131	O.2	1	noname	-0.1894
10	O4    -1.6443    -4.2340     4.5997	O.3	1	noname	-0.2044
11	O5    -3.1003    -2.6535     4.1106	O.2	1	noname	-0.2393
12	N1     0.2868    -0.6078     0.4153	N.3	1	noname	0.1421
13	N2    -1.1696    -1.5297     2.1194	N.2	1	noname	-0.1202
14	N3     0.7905    -2.4739     1.8226	N.2	1	noname	-0.2606
15	N4     0.1525    -3.1181     2.7412	N.3	1	noname	0.0357
16	C1     1.8770     0.6812    -1.6802	C.2	1	noname	0.0761
17	C2     1.8353     2.0597    -1.3003	C.2	1	noname	0.0666
18	C3     2.0490     0.3270    -3.0664	C.2	1	noname	0.0757
19	C4     1.9931     3.0611    -2.2727	C.2	1	noname	-0.0147
20	C5     2.0840     1.3710    -4.0324	C.2	1	noname	-0.0046
21	C6     1.6658     2.5325     0.0998	C.3	1	noname	0.4177
22	C7     2.1022     2.7194    -3.6209	C.2	1	noname	-0.0136
23	C8    -0.0189    -1.4836     1.4111	C.2	1	noname	0.1238
24	C9     1.0408    -1.6654    -3.7754	C.3	1	noname	0.1142
25	C10     1.3511    -3.0994    -4.2095	C.3	1	noname	0.2617
26	C11    -1.0589    -2.5917     2.9560	C.2	1	noname	0.0536
27	C12    -1.9619    -3.1360     3.8931	C.2	1	noname	0.1265
28	H1     2.0513     4.0296    -2.0173	H	1	noname	0.0629
29	H2     2.1392     1.1647    -5.0459	H	1	noname	0.0650
30	H3    -0.4261    -0.6044    -0.2425	H	1	noname	0.1539
31	H4     2.2120     3.4789    -4.3077	H	1	noname	0.0623
32	H5     0.4030    -1.6833    -2.8916	H	1	noname	0.0632
33	H6     0.5274    -1.1442    -4.5834	H	1	noname	0.0632
34	H7     1.8644    -3.6205    -3.4014	H	1	noname	0.1061
35	H8     0.4923    -3.8978     3.2104	H	1	noname	0.1774
36	H9    -2.0230    -4.3680     5.4936	H	1	noname	0.2217
@<TRIPOS>BOND
1	1	8	2
2	1	9	2
3	1	12	1
4	1	16	1
5	2	21	1
6	3	21	1
7	4	21	1
8	5	25	1
9	6	25	1
10	7	18	1
11	7	24	1
12	10	27	1
13	10	36	1
14	11	27	2
15	12	23	1
16	12	30	1
17	13	23	1
18	13	26	2
19	14	15	1
20	14	23	2
21	15	26	1
22	15	35	1
23	16	17	2
24	16	18	1
25	17	19	1
26	17	21	1
27	18	20	2
28	19	22	2
29	19	28	1
30	20	22	1
31	20	29	1
32	22	31	1
33	24	25	1
34	24	32	1
35	24	33	1
36	25	34	1
37	26	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1