@<TRIPOS>MOLECULE
91617491
37 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	I1    -3.0638     3.0260     0.5457	I	1	noname	-0.0385
2	I2     1.0317     5.4012     0.2075	I	1	noname	-0.0371
3	I3    -3.1872    -3.0095     0.4618	I	1	noname	-0.0414
4	O1     0.0391     2.3331     0.2300	O.3	1	noname	-0.1885
5	O2    -4.1934     0.0414     0.5976	O.3	1	noname	-0.2719
6	O3     4.0394     4.7919    -0.6106	O.2	1	noname	-0.2919
7	O4     3.3809     0.1342     2.4688	O.3	1	noname	-0.2186
8	O5     5.3769    -0.6200     1.7478	O.2	1	noname	-0.2590
9	C1     1.4445    -0.0778    -0.0004	C.2	1	noname	0.0094
10	C2     0.0295    -0.0715     0.2511	C.2	1	noname	-0.0022
11	C3     2.1045     1.1788    -0.2232	C.2	1	noname	0.0146
12	C4     2.2167    -1.3104    -0.0345	C.2	1	noname	0.0130
13	C5    -0.6698     1.1664     0.3047	C.2	1	noname	0.0527
14	C6     1.3840     2.3893    -0.0020	C.2	1	noname	0.0379
15	C7    -0.7535    -1.2427     0.4267	C.2	1	noname	0.0001
16	C8     3.4580     1.3188    -0.6653	C.2	1	noname	-0.0017
17	C9     3.4769    -1.5135     0.6574	C.2	1	noname	0.0103
18	C10    -2.0863     1.2123     0.4031	C.2	1	noname	0.0464
19	C11     2.0569     3.6435    -0.0836	C.2	1	noname	0.0994
20	C12     1.7007    -2.4126    -0.7918	C.2	1	noname	-0.0287
21	C13    -2.1543    -1.2285     0.4616	C.2	1	noname	0.0049
22	C14     4.1394     2.5440    -0.7482	C.2	1	noname	0.0387
23	C15    -2.8343     0.0073     0.4597	C.2	1	noname	0.0575
24	C16     3.4262     3.7111    -0.4526	C.2	1	noname	0.0998
25	C17     4.1925    -2.7252     0.5098	C.2	1	noname	-0.0026
26	C18     2.3781    -3.6508    -0.8435	C.2	1	noname	-0.0322
27	C19     3.6419    -3.8016    -0.2252	C.2	1	noname	-0.0418
28	C20     4.1304    -0.6406     1.6561	C.2	1	noname	0.0874
29	H1    -0.3370    -2.1496     0.5482	H	1	noname	0.0642
30	H2     4.0057     0.5093    -0.9487	H	1	noname	0.0631
31	H3     0.8098    -2.3396    -1.3072	H	1	noname	0.0629
32	H4     5.1231     2.5820    -1.0153	H	1	noname	0.0664
33	H5     5.1135    -2.8236     0.9371	H	1	noname	0.0631
34	H6     1.9538    -4.4410    -1.3293	H	1	noname	0.0622
35	H7     4.1527    -4.6805    -0.3089	H	1	noname	0.0622
36	H8    -4.5427    -0.8740     0.6184	H	1	noname	0.2182
37	H9     3.7353     0.9870     2.7966	H	1	noname	0.2216
@<TRIPOS>BOND
1	1	18	1
2	2	19	1
3	3	21	1
4	4	13	1
5	4	14	1
6	5	23	1
7	5	36	1
8	6	24	2
9	7	28	1
10	7	37	1
11	8	28	2
12	9	10	1
13	9	11	2
14	9	12	1
15	10	13	1
16	10	15	2
17	11	14	1
18	11	16	1
19	12	17	1
20	12	20	2
21	13	18	2
22	14	19	2
23	15	21	1
24	15	29	1
25	16	22	2
26	16	30	1
27	17	25	2
28	17	28	1
29	18	23	1
30	19	24	1
31	20	26	1
32	20	31	1
33	21	23	2
34	22	24	1
35	22	32	1
36	25	27	1
37	25	33	1
38	26	27	2
39	26	34	1
40	27	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1