@<TRIPOS>MOLECULE
72710648
27 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.9836    -0.1125     2.0638	S	1	noname	-0.0390
2	S2     2.4741     3.5762     0.1556	S	1	noname	-0.0423
3	O1    -0.7550    -3.5480    -1.6858	O.3	1	noname	-0.2854
4	O2    -0.1414    -1.0227     3.2121	O.3	1	noname	-0.1480
5	O3    -1.6442     1.1502     2.7692	O.2	1	noname	-0.1678
6	O4    -2.1214    -1.0087     1.4079	O.2	1	noname	-0.1678
7	O5     2.3120     4.1292     1.7443	O.3	1	noname	-0.1484
8	O6     4.0154     3.3824    -0.1834	O.2	1	noname	-0.1684
9	O7     1.8414     4.6396    -0.8429	O.2	1	noname	-0.1684
10	C1     0.3295    -0.3662    -0.2901	C.2	1	noname	0.0604
11	C2     1.2089     0.0621    -1.2776	C.2	1	noname	-0.0021
12	C3     0.1110     0.4206     0.8348	C.2	1	noname	0.0681
13	C4     1.6514     2.0639    -0.0154	C.2	1	noname	0.0604
14	C5     1.8699     1.2772    -1.1403	C.2	1	noname	0.0680
15	C6     0.7720     1.6356     0.9722	C.2	1	noname	0.1062
16	C7    -0.3315    -1.5812    -0.4275	C.2	1	noname	0.0071
17	C8     1.4274    -0.7246    -2.4025	C.2	1	noname	-0.0318
18	C9    -0.1130    -2.3680    -1.5524	C.2	1	noname	0.0063
19	C10     0.7664    -1.9397    -2.5399	C.2	1	noname	-0.0267
20	H1     2.5153     1.5915    -1.8649	H	1	noname	0.0646
21	H2     0.6116     2.2130     1.7976	H	1	noname	0.0657
22	H3    -0.9769    -1.8955     0.2972	H	1	noname	0.0657
23	H4     2.0728    -0.4103    -3.1272	H	1	noname	0.0630
24	H5     0.9268    -2.5170    -3.3654	H	1	noname	0.0650
25	H6    -1.3317    -3.6960    -0.9074	H	1	noname	0.2181
26	H7    -0.7797    -1.4767     3.8011	H	1	noname	0.2388
27	H8     2.3424     5.1087     1.7540	H	1	noname	0.2388
@<TRIPOS>BOND
1	1	4	1
2	1	5	2
3	1	6	2
4	1	12	1
5	2	7	1
6	2	8	2
7	2	9	2
8	2	13	1
9	3	18	1
10	3	25	1
11	4	26	1
12	7	27	1
13	10	11	1
14	10	12	2
15	10	16	1
16	11	14	2
17	11	17	1
18	12	15	1
19	13	14	1
20	13	15	2
21	14	20	1
22	15	21	1
23	16	18	2
24	16	22	1
25	17	19	2
26	17	23	1
27	18	19	1
28	19	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1