@<TRIPOS>MOLECULE
118984417
24 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.8745     1.6765     0.2441	O.3	1	noname	-0.0903
2	O2     2.9684    -0.3635     0.8637	O.2	1	noname	-0.2452
3	O3     1.9254     2.6871    -1.9228	O.2	1	noname	-0.2453
4	C1     0.7721    -0.3081    -0.3133	C.3	1	noname	0.0603
5	C2     0.5037     0.7024    -1.4233	C.3	1	noname	0.0580
6	C3     1.1020    -1.6684    -0.9308	C.3	1	noname	-0.0312
7	C4     0.8316     0.0711    -2.7779	C.3	1	noname	-0.0402
8	C5    -0.0798    -2.1438    -1.7785	C.3	1	noname	-0.0499
9	C6    -0.0221    -1.2641    -3.0213	C.3	1	noname	-0.0522
10	C7     2.0215     0.2675     0.3462	C.2	1	noname	0.1756
11	C8     1.5091     1.8206    -1.1238	C.2	1	noname	0.1754
12	C9     1.3712    -2.6823     0.1829	C.3	1	noname	-0.0617
13	H1    -0.0349    -0.2876     0.4192	H	1	noname	0.0420
14	H2    -0.5297     1.0480    -1.4509	H	1	noname	0.0417
15	H3     1.9870    -1.5767    -1.5604	H	1	noname	0.0308
16	H4     0.6213     0.7868    -3.5727	H	1	noname	0.0275
17	H5     1.8817    -0.2198    -2.7507	H	1	noname	0.0275
18	H6    -1.0102    -1.9554    -1.2428	H	1	noname	0.0269
19	H7     0.0010    -3.1892    -2.0764	H	1	noname	0.0269
20	H8    -1.0344    -0.9977    -3.3252	H	1	noname	0.0267
21	H9     0.4569    -1.8007    -3.8403	H	1	noname	0.0267
22	H10     1.6062    -3.6515    -0.2571	H	1	noname	0.0233
23	H11     0.4861    -2.7741     0.8124	H	1	noname	0.0233
24	H12     2.2131    -2.3437     0.7868	H	1	noname	0.0233
@<TRIPOS>BOND
1	1	10	1
2	1	11	1
3	2	10	2
4	3	11	2
5	4	5	1
6	4	6	1
7	4	10	1
8	4	13	1
9	5	7	1
10	5	11	1
11	5	14	1
12	6	8	1
13	6	12	1
14	6	15	1
15	7	9	1
16	7	16	1
17	7	17	1
18	8	9	1
19	8	18	1
20	8	19	1
21	9	20	1
22	9	21	1
23	12	22	1
24	12	23	1
25	12	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1