@<TRIPOS>MOLECULE
69669515
28 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.3261     0.3086     0.1169	O.3	1	noname	-0.3408
2	O2     0.1451     1.7186    -1.6496	O.3	1	noname	-0.3460
3	O3     2.3952     0.0828     2.0056	O.3	1	noname	-0.3934
4	C1     1.6747     0.4829    -0.2586	C.3	1	noname	0.1075
5	C2     1.5204     1.5897    -1.2990	C.3	1	noname	0.0788
6	C3    -0.3419     0.5020    -1.1204	C.3	1	noname	0.1772
7	C4     2.4721     1.0124     0.9350	C.3	1	noname	0.0719
8	C5    -1.7490     0.6117    -0.8903	C.2	1	noname	-0.0507
9	C6    -3.9848     0.9076    -1.6838	C.3	1	noname	-0.0351
10	C7    -2.5777     0.7979    -1.9138	C.2	1	noname	-0.0657
11	C8    -4.4781     2.2683    -2.1798	C.3	1	noname	-0.0527
12	C9    -5.9837     2.3856    -1.9336	C.3	1	noname	-0.0651
13	H1     2.0630    -0.4247    -0.7209	H	1	noname	0.0653
14	H2     1.8793     2.5314    -0.8837	H	1	noname	0.0596
15	H3     2.1252     1.3186    -2.1644	H	1	noname	0.0596
16	H4    -0.0686    -0.3082    -1.7963	H	1	noname	0.0971
17	H5     2.0572     1.9687     1.2536	H	1	noname	0.0591
18	H6     3.5141     1.1471     0.6449	H	1	noname	0.0591
19	H7    -2.1064     0.5490     0.0308	H	1	noname	0.0625
20	H8    -4.5039     0.1146    -2.2221	H	1	noname	0.0309
21	H9    -4.1868     0.8148    -0.6167	H	1	noname	0.0309
22	H10    -2.2204     0.8606    -2.8350	H	1	noname	0.0574
23	H11    -4.2761     2.3611    -3.2469	H	1	noname	0.0267
24	H12    -3.9591     3.0613    -1.6414	H	1	noname	0.0267
25	H13    -6.3351     3.3550    -2.2870	H	1	noname	0.0230
26	H14    -6.5027     1.5926    -2.4720	H	1	noname	0.0230
27	H15    -6.1857     2.2928    -0.8665	H	1	noname	0.0230
28	H16     2.9059     0.4220     2.7701	H	1	noname	0.2101
@<TRIPOS>BOND
1	1	4	1
2	1	6	1
3	2	5	1
4	2	6	1
5	3	7	1
6	3	28	1
7	4	5	1
8	4	7	1
9	4	13	1
10	5	14	1
11	5	15	1
12	6	8	1
13	6	16	1
14	7	17	1
15	7	18	1
16	8	10	2
17	8	19	1
18	9	10	1
19	9	11	1
20	9	20	1
21	9	21	1
22	10	22	1
23	11	12	1
24	11	23	1
25	11	24	1
26	12	25	1
27	12	26	1
28	12	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1