@<TRIPOS>MOLECULE
DB01870
24 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.4564    -0.1191    -1.2260	S.3	1	noname	-0.1452
2	C1     0.6064    -0.1764     0.2292	C.3	1	noname	0.1291
3	O1     1.8843     0.4445    -0.0868	O.3	1	noname	-0.3580
4	C2    -0.2372     0.4614     1.3748	C.3	1	noname	0.1164
5	C3     2.6052     1.1492     0.9697	C.3	1	noname	0.0964
6	O2    -1.6154     0.3990     1.0387	O.3	1	noname	-0.3866
7	C4     0.1729     1.9360     1.5982	C.3	1	noname	0.0975
8	C5     1.6992     2.1745     1.7235	C.3	1	noname	0.0589
9	C6     3.1671     0.1349     1.9678	C.3	1	noname	0.0707
10	O3    -0.4813     2.4393     2.7537	O.3	1	noname	-0.3889
11	S2     2.0932     3.8421     1.1722	S.3	1	noname	-0.1702
12	O4     4.0544    -0.7477     1.2968	O.3	1	noname	-0.3935
13	H1    -0.7392    -1.3490    -1.6131	H	1	noname	0.1049
14	H2     1.0382    -1.0804     0.6588	H	1	noname	0.0748
15	H3    -0.1456    -0.1080     2.2997	H	1	noname	0.0664
16	H4     3.4063     1.6712     0.4464	H	1	noname	0.0640
17	H5    -2.1400     0.3753     1.8424	H	1	noname	0.2107
18	H6    -0.1957     2.5204     0.7551	H	1	noname	0.0641
19	H7     1.8633     1.8816     2.7605	H	1	noname	0.0469
20	H8     3.7828     0.6747     2.6873	H	1	noname	0.0591
21	H9     2.3436    -0.4891     2.3149	H	1	noname	0.0591
22	H10    -0.7867     1.7064     3.2933	H	1	noname	0.2106
23	H11     2.2771     4.6206     2.2222	H	1	noname	0.1026
24	H12     4.5576    -1.2481     1.9433	H	1	noname	0.2101
@<TRIPOS>BOND
1	2	1	1
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	4	7	1
7	5	8	1
8	5	9	1
9	7	10	1
10	7	8	1
11	8	11	1
12	9	12	1
13	1	13	1
14	2	14	1
15	4	15	1
16	5	16	1
17	6	17	1
18	7	18	1
19	8	19	1
20	9	20	1
21	9	21	1
22	10	22	1
23	11	23	1
24	12	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1