@<TRIPOS>MOLECULE
91827079
27 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.9458    -0.6768    -2.5099	O.3	1	noname	-0.3672
2	O2     1.8098    -0.3065     0.6922	O.3	1	noname	-0.2021
3	O3     2.2535     1.9921     1.2448	O.2	1	noname	-0.2529
4	C1     0.6119    -0.6659    -0.0148	C.3	1	noname	0.0941
5	C2     0.6489     0.1522    -1.3476	C.3	1	noname	0.0945
6	C3     0.5125    -2.2004    -0.2032	C.3	1	noname	-0.0207
7	C4    -0.4383    -2.5022    -1.4008	C.3	1	noname	-0.0202
8	C5     0.0349    -1.7921    -2.7027	C.3	1	noname	0.0787
9	C6     1.7116     1.2223    -1.0749	C.3	1	noname	0.0626
10	C7     1.9690     1.0869     0.4310	C.2	1	noname	0.1429
11	C8     0.6341    -2.7511    -3.5780	C.2	1	noname	-0.0678
12	C9     1.0040    -2.3735    -4.9067	C.3	1	noname	-0.0416
13	C10     0.8473    -3.9944    -3.1563	C.2	1	noname	-0.0816
14	H1    -0.2778    -0.3947     0.5642	H	1	noname	0.0637
15	H2    -0.3064     0.6607    -1.5273	H	1	noname	0.0636
16	H3     0.1098    -2.6523     0.7033	H	1	noname	0.0295
17	H4     1.5045    -2.5718    -0.4603	H	1	noname	0.0295
18	H5    -1.4482    -2.1743    -1.1546	H	1	noname	0.0297
19	H6    -0.5055    -3.5765    -1.5723	H	1	noname	0.0297
20	H7    -0.8711    -1.4275    -3.1868	H	1	noname	0.0651
21	H8     1.2970     2.2082    -1.2855	H	1	noname	0.0400
22	H9     2.6082     0.9478    -1.6307	H	1	noname	0.0400
23	H10     0.1197    -2.0387    -5.4488	H	1	noname	0.0277
24	H11     1.4418    -3.2301    -5.4193	H	1	noname	0.0277
25	H12     1.7327    -1.5639    -4.8647	H	1	noname	0.0277
26	H13     0.5912    -4.2558    -2.2364	H	1	noname	0.0538
27	H14     1.2622    -4.6583    -3.7622	H	1	noname	0.0538
@<TRIPOS>BOND
1	1	5	1
2	1	8	1
3	2	4	1
4	2	10	1
5	3	10	2
6	4	5	1
7	4	6	1
8	4	14	1
9	5	9	1
10	5	15	1
11	6	7	1
12	6	16	1
13	6	17	1
14	7	8	1
15	7	18	1
16	7	19	1
17	8	11	1
18	8	20	1
19	9	10	1
20	9	21	1
21	9	22	1
22	11	12	1
23	11	13	2
24	12	23	1
25	12	24	1
26	12	25	1
27	13	26	1
28	13	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1