@<TRIPOS>MOLECULE
71587384
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     0.8174     1.7890     1.2554	S.3	1	noname	-0.1948
2	S2    -0.2334    -0.1422     5.2072	S.3	1	noname	-0.1971
3	O1     3.2801     3.3071    -0.3732	O.3	1	noname	-0.3771
4	O2     5.4971     1.6535    -1.2383	O.3	1	noname	-0.2091
5	O3     4.9694     0.6795     0.7227	O.2	1	noname	-0.2433
6	C1     2.5022     1.4527     0.8459	C.2	1	noname	0.0356
7	C2     0.7343     0.9451     2.7958	C.2	1	noname	0.0369
8	C3     3.2513     1.8880    -0.3293	C.3	1	noname	0.1736
9	C4    -0.3514     0.5982     3.6134	C.2	1	noname	0.0265
10	C5     2.9488     0.6680     1.9183	C.2	1	noname	-0.0071
11	C6     2.0144     0.4015     2.9417	C.2	1	noname	-0.0071
12	C7    -1.6978     0.4441     3.2534	C.2	1	noname	-0.0055
13	C8    -2.4373    -0.4113     4.1139	C.2	1	noname	-0.0062
14	C9    -1.8052    -0.9416     5.2566	C.2	1	noname	0.0489
15	C10     4.6163     1.3756    -0.2537	C.2	1	noname	0.1527
16	C11    -2.2590    -1.7922     6.1167	C.1	1	noname	-0.0241
17	C12    -2.6783    -2.5783     6.9116	C.1	1	noname	-0.0760
18	C13    -3.1567    -3.4750     7.8184	C.3	1	noname	-0.0023
19	H1     2.7692     1.5064    -1.2293	H	1	noname	0.0771
20	H2     3.9021     0.3074     1.9571	H	1	noname	0.0635
21	H3     2.2623    -0.1639     3.7536	H	1	noname	0.0638
22	H4    -2.1110     0.9063     2.4434	H	1	noname	0.0638
23	H5    -3.4102    -0.6380     3.9079	H	1	noname	0.0644
24	H6     2.3639     3.6510    -0.4239	H	1	noname	0.2117
25	H7     6.4536     1.7198    -1.0357	H	1	noname	0.2214
26	H8    -4.2465    -3.4604     7.8036	H	1	noname	0.0365
27	H9    -2.8032    -4.4739     7.5628	H	1	noname	0.0365
28	H10    -2.8032    -3.2083     8.8144	H	1	noname	0.0365
@<TRIPOS>BOND
1	1	6	1
2	1	7	1
3	2	9	1
4	2	14	1
5	3	8	1
6	3	24	1
7	4	15	1
8	4	25	1
9	5	15	2
10	6	8	1
11	6	10	2
12	7	9	1
13	7	11	2
14	8	15	1
15	8	19	1
16	9	12	2
17	10	11	1
18	10	20	1
19	11	21	1
20	12	13	1
21	12	22	1
22	13	14	2
23	13	23	1
24	14	16	1
25	16	17	3
26	17	18	1
27	18	26	1
28	18	27	1
29	18	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1