@<TRIPOS>MOLECULE
102170592
21 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.5064     2.5391    -0.8374	O.3	1	noname	-0.1923
2	O2     3.0521     1.6433    -1.6605	O.3	1	noname	-0.3874
3	O3    -0.2461    -0.7505     0.1796	O.3	1	noname	-0.2766
4	O4     2.1255     0.1615    -3.8678	O.3	1	noname	-0.3934
5	O5    -1.1395     2.9325    -2.5555	O.2	1	noname	-0.2492
6	N1    -2.3386     0.5209    -1.2827	N.3	1	noname	-0.1223
7	C1     0.9996     1.2487    -0.4615	C.3	1	noname	0.1433
8	C2     1.9644     0.7392    -1.5341	C.3	1	noname	0.1101
9	C3    -0.1586     0.4171    -0.4300	C.2	1	noname	0.0239
10	C4     1.2301     0.6345    -2.8723	C.3	1	noname	0.0722
11	C5    -1.1330     1.0037    -1.1105	C.2	1	noname	0.0179
12	C6    -0.6546     2.2505    -1.6269	C.2	1	noname	0.1111
13	H1     1.5376     1.2611     0.4864	H	1	noname	0.0712
14	H2     2.3399    -0.2433    -1.2479	H	1	noname	0.0656
15	H3     0.3952    -0.0595    -2.7753	H	1	noname	0.0591
16	H4     0.8546     1.6169    -3.1585	H	1	noname	0.0591
17	H5     3.5224     1.7103    -0.8034	H	1	noname	0.2106
18	H6    -2.8614     1.1396    -1.8163	H	1	noname	0.1245
19	H7    -2.7642     0.3985    -0.4198	H	1	noname	0.1245
20	H8    -1.1451    -1.1191     0.0519	H	1	noname	0.2179
21	H9     1.6551     0.0945    -4.7249	H	1	noname	0.2101
@<TRIPOS>BOND
1	1	7	1
2	1	12	1
3	8	2	1
4	2	17	1
5	3	9	1
6	3	20	1
7	4	10	1
8	4	21	1
9	5	12	2
10	6	11	1
11	6	18	1
12	6	19	1
13	7	8	1
14	7	9	1
15	7	13	1
16	8	10	1
17	8	14	1
18	9	11	2
19	10	15	1
20	10	16	1
21	11	12	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1