@<TRIPOS>MOLECULE
DB04089
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.9659    -1.1841     0.3504	S	1	noname	-0.0818
2	O1    -2.2143    -2.0531    -0.3173	O.2	1	noname	-0.1905
3	O2    -2.1111     0.0177     0.4929	O.2	1	noname	-0.1905
4	N1    -0.1255    -1.8227    -1.2329	N.3	1	noname	0.0189
5	C1     0.2547     0.2181     0.1414	C.2	1	noname	0.1300
6	C2    -0.2693    -1.0315    -2.4803	C.3	1	noname	0.0473
7	C3     1.2888    -2.2817    -1.1851	C.3	1	noname	0.0511
8	S2     1.4756     0.7630     1.2902	S.3	1	noname	-0.0776
9	C4     0.5920     0.8604    -1.0620	C.2	1	noname	0.0846
10	C5    -0.1707     0.5041    -2.2963	C.3	1	noname	0.0956
11	C6     1.6000    -3.2940    -0.1738	C.2	1	noname	0.0211
12	C7     2.4124     1.8223     0.2377	C.2	1	noname	0.1218
13	C8     1.7262     1.7128    -0.9851	C.2	1	noname	0.0789
14	O3     0.3230     1.0341    -3.5258	O.3	1	noname	-0.3868
15	S3     3.1492    -3.5996     0.6236	S.3	1	noname	-0.2206
16	C9     0.8703    -4.4514     0.1096	C.2	1	noname	-0.0198
17	S4     3.8179     2.7584     0.6134	S	1	noname	-0.0935
18	C10     2.9405    -5.2976     1.0428	C.2	1	noname	0.0109
19	C11     1.5823    -5.4980     0.7523	C.2	1	noname	-0.0260
20	O4     3.9976     2.8349     2.1913	O.2	1	noname	-0.1937
21	O5     3.6490     4.2267     0.0273	O.2	1	noname	-0.1937
22	N2     5.2134     2.0126    -0.0911	N.3	1	noname	-0.0056
23	H1     0.5829    -1.3239    -3.0937	H	1	noname	0.0476
24	H2    -1.2835    -1.2364    -2.8231	H	1	noname	0.0476
25	H3     1.4726    -2.7710    -2.1415	H	1	noname	0.0504
26	H4     1.8731    -1.4070    -0.8993	H	1	noname	0.0504
27	H5    -1.1129     1.0325    -2.1506	H	1	noname	0.0666
28	H6     2.0659     2.2762    -1.8542	H	1	noname	0.0652
29	H7     0.5590     0.3126    -4.1134	H	1	noname	0.2109
30	H8    -0.1844    -4.5323    -0.1534	H	1	noname	0.0634
31	H9     3.5617    -6.1070     1.4264	H	1	noname	0.0739
32	H10     1.0958    -6.4367     1.0175	H	1	noname	0.0631
33	H11     5.2080     1.0237    -0.2965	H	1	noname	0.1404
34	H12     6.0326     2.5666    -0.2965	H	1	noname	0.1404
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	1	5	1
5	4	6	1
6	4	7	1
7	5	8	1
8	5	9	2
9	6	10	1
10	7	11	1
11	8	12	1
12	9	13	1
13	9	10	1
14	10	14	1
15	11	15	1
16	11	16	2
17	12	17	1
18	12	13	2
19	15	18	1
20	16	19	1
21	17	20	2
22	17	21	2
23	17	22	1
24	18	19	2
25	6	23	1
26	6	24	1
27	7	25	1
28	7	26	1
29	10	27	1
30	13	28	1
31	14	29	1
32	16	30	1
33	18	31	1
34	19	32	1
35	22	33	1
36	22	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1