@<TRIPOS>MOLECULE
91748031
34 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.4619    -0.2979    -0.7001	O.3	1	noname	-0.3666
2	C1     0.1076    -0.1585    -0.2355	C.3	1	noname	0.0985
3	C2     0.0687     0.8857     0.9153	C.3	1	noname	0.0015
4	C3    -0.7657     0.2851    -1.4256	C.3	1	noname	-0.0166
5	C4     0.1147    -0.1192    -2.6141	C.3	1	noname	-0.0239
6	C5     1.5301     0.0731    -2.0619	C.3	1	noname	0.0561
7	C6     0.9883     0.4286     2.0962	C.3	1	noname	-0.0265
8	C7    -0.3209    -1.5732     0.2759	C.2	1	noname	-0.0564
9	C8     0.5479     2.2408     0.3909	C.3	1	noname	-0.0565
10	C9    -1.3806     0.9841     1.3955	C.3	1	noname	-0.0565
11	C10     1.0003    -1.0312     2.2719	C.2	1	noname	-0.0735
12	C11     0.4138    -1.9543     1.4798	C.2	1	noname	-0.0599
13	C12     2.6024    -0.7975    -2.7342	C.3	1	noname	-0.0386
14	C13    -1.2396    -2.3343    -0.3119	C.2	1	noname	-0.0705
15	H1    -1.6855    -0.2997    -1.4392	H	1	noname	0.0300
16	H2    -0.9017     1.3665    -1.4094	H	1	noname	0.0300
17	H3    -0.0458    -1.1727    -2.8434	H	1	noname	0.0294
18	H4    -0.0810     0.4618    -3.5153	H	1	noname	0.0294
19	H5     1.7982     1.1271    -2.1385	H	1	noname	0.0600
20	H6     0.6564     0.9030     3.0198	H	1	noname	0.0316
21	H7     2.0226     0.7358     1.9415	H	1	noname	0.0316
22	H8    -1.4464     1.7102     2.2058	H	1	noname	0.0237
23	H9    -2.0162     1.3029     0.5694	H	1	noname	0.0237
24	H10    -1.7118     0.0093     1.7535	H	1	noname	0.0237
25	H11     0.5207     2.9730     1.1978	H	1	noname	0.0237
26	H12    -0.1041     2.5681    -0.4190	H	1	noname	0.0237
27	H13     1.5686     2.1465     0.0200	H	1	noname	0.0237
28	H14     1.4933    -1.3757     3.0583	H	1	noname	0.0576
29	H15     0.4833    -2.9120     1.7206	H	1	noname	0.0623
30	H16     2.6770    -0.5323    -3.7889	H	1	noname	0.0257
31	H17     2.3274    -1.8483    -2.6424	H	1	noname	0.0257
32	H18     3.5637    -0.6298    -2.2485	H	1	noname	0.0257
33	H19    -1.4628    -3.2217     0.0660	H	1	noname	0.0541
34	H20    -1.7002    -2.0135    -1.1274	H	1	noname	0.0541
@<TRIPOS>BOND
1	2	1	1
2	1	6	1
3	2	3	1
4	2	4	1
5	2	8	1
6	3	7	1
7	3	9	1
8	3	10	1
9	4	5	1
10	4	15	1
11	4	16	1
12	5	6	1
13	5	17	1
14	5	18	1
15	6	13	1
16	6	19	1
17	7	11	1
18	7	20	1
19	7	21	1
20	8	12	1
21	8	14	2
22	9	25	1
23	9	26	1
24	9	27	1
25	10	22	1
26	10	23	1
27	10	24	1
28	11	12	2
29	11	28	1
30	12	29	1
31	13	30	1
32	13	31	1
33	13	32	1
34	14	33	1
35	14	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1