@<TRIPOS>MOLECULE
DB01298
34 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.0026    -1.7075    -0.2550	S	1	noname	-0.0985
2	O1     0.0133    -2.8816     0.1882	O.2	1	noname	-0.1947
3	O2    -2.3444    -2.4041    -0.8078	O.2	1	noname	-0.1947
4	N1    -1.4054    -0.7631     1.1320	N.3	1	noname	0.0981
5	C1    -0.1745    -0.8286    -1.5529	C.2	1	noname	-0.0163
6	C2    -1.7544    -1.2757     2.3605	C.2	1	noname	0.0253
7	C3     0.6616     0.3032    -1.2633	C.2	1	noname	0.0113
8	C4    -0.2357    -1.3857    -2.8796	C.2	1	noname	0.0113
9	N2    -2.0241    -0.3548     3.3562	N.2	1	noname	-0.1482
10	C5    -1.7960    -2.6831     2.6215	C.2	1	noname	0.0023
11	C6     1.4556     0.8747    -2.3154	C.2	1	noname	-0.0446
12	C7     0.5588    -0.8126    -3.9272	C.2	1	noname	-0.0446
13	C8    -2.2963    -0.7299     4.6461	C.2	1	noname	0.0975
14	C9    -2.0755    -3.0579     3.9606	C.2	1	noname	-0.0584
15	C10     1.3955     0.3042    -3.6265	C.2	1	noname	-0.0036
16	O3    -2.5327     0.1120     5.5393	O.2	1	noname	-0.2505
17	N3    -2.2961    -2.0777     4.9067	N.3	1	noname	0.0423
18	N4     2.1472     0.8342    -4.6010	N.3	1	noname	-0.1510
19	C11    -2.5382    -2.4893     6.2334	C.3	1	noname	0.0093
20	C12    -1.2106    -2.5848     6.9879	C.3	1	noname	-0.0515
21	H1    -1.4424     0.2403     1.2411	H	1	noname	0.1522
22	H2     0.6931     0.7230    -0.2579	H	1	noname	0.0639
23	H3    -0.8813    -2.2383    -3.0901	H	1	noname	0.0639
24	H4    -1.6244    -3.4276     1.8441	H	1	noname	0.0666
25	H5     2.0979     1.7335    -2.1205	H	1	noname	0.0639
26	H6     0.5271    -1.2201    -4.9377	H	1	noname	0.0639
27	H7    -2.1210    -4.1038     4.2640	H	1	noname	0.0758
28	H8     1.7379     1.0339    -5.5025	H	1	noname	0.1242
29	H9     3.1231     1.0339    -4.4341	H	1	noname	0.1242
30	H10    -3.1266    -1.6884     6.6811	H	1	noname	0.0437
31	H11    -2.9560    -3.4927     6.1525	H	1	noname	0.0437
32	H12    -1.4009    -2.5711     8.0611	H	1	noname	0.0244
33	H13    -0.7065    -3.5133     6.7201	H	1	noname	0.0244
34	H14    -0.5787    -1.7380     6.7201	H	1	noname	0.0244
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	1	5	1
5	4	6	1
6	5	7	2
7	5	8	1
8	6	9	2
9	6	10	1
10	7	11	1
11	8	12	2
12	9	13	1
13	10	14	2
14	11	15	2
15	12	15	1
16	13	16	2
17	13	17	1
18	14	17	1
19	15	18	1
20	17	19	1
21	19	20	1
22	4	21	1
23	7	22	1
24	8	23	1
25	10	24	1
26	11	25	1
27	12	26	1
28	14	27	1
29	18	28	1
30	18	29	1
31	19	30	1
32	19	31	1
33	20	32	1
34	20	33	1
35	20	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1