@<TRIPOS>MOLECULE
DB07431
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.1935    -0.0491     0.7673	S.3	1	noname	-0.2352
2	C1     0.4810    -0.2734     0.4764	C.2	1	noname	0.0221
3	C2     2.2430     1.6445     0.3125	C.2	1	noname	0.0225
4	C3    -0.2053    -1.5462     0.6718	C.2	1	noname	0.0338
5	C4    -0.0208     0.9608     0.0057	C.2	1	noname	0.0390
6	C5     0.9315     2.0198    -0.0646	C.2	1	noname	0.0239
7	C6     3.3534     2.5385     0.2973	C.2	1	noname	-0.0076
8	O1     0.0372    -2.3135     1.6283	O.2	1	noname	-0.2883
9	N1    -1.2088    -1.8422    -0.3618	N.3	1	noname	-0.0674
10	N2    -1.2997     1.1566    -0.4108	N.3	1	noname	-0.1256
11	C7     0.7065     3.3787    -0.4743	C.2	1	noname	0.0040
12	C8     3.1123     3.8755    -0.1213	C.2	1	noname	-0.0140
13	C9    -2.4526    -1.1176    -0.0217	C.3	1	noname	0.0395
14	C10    -2.4708     0.3417    -0.5332	C.3	1	noname	0.0172
15	C11     1.8043     4.3030    -0.4999	C.2	1	noname	0.0102
16	C12    -2.6507    -1.1287     1.4954	C.3	1	noname	0.0095
17	O2     1.5990     5.5810    -0.8835	O.3	1	noname	-0.2765
18	N3    -2.7478    -2.5102     1.9641	N.3	1	noname	-0.3288
19	C13     1.7834     5.6893    -2.2873	C.3	1	noname	0.0423
20	H1     4.3499     2.2118     0.5946	H	1	noname	0.0638
21	H2    -1.0684    -2.4386    -1.1647	H	1	noname	0.1317
22	H3    -1.4026     2.1213    -0.6917	H	1	noname	0.1282
23	H4    -0.2919     3.7065    -0.7641	H	1	noname	0.0657
24	H5     3.9414     4.5825    -0.1524	H	1	noname	0.0650
25	H6    -3.2402    -1.6723    -0.5317	H	1	noname	0.0496
26	H7    -3.1976     0.8704     0.0835	H	1	noname	0.0448
27	H8    -2.6117     0.2832    -1.6125	H	1	noname	0.0448
28	H9    -1.7468    -0.7210     1.9480	H	1	noname	0.0442
29	H10    -3.6183    -0.6723     1.7040	H	1	noname	0.0442
30	H11    -3.6538    -2.9260     2.1260	H	1	noname	0.1184
31	H12    -1.9088    -3.0486     2.1260	H	1	noname	0.1184
32	H13     1.8408     4.6924    -2.7242	H	1	noname	0.0535
33	H14     0.9431     6.2294    -2.7235	H	1	noname	0.0535
34	H15     2.7079     6.2294    -2.4917	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	2
5	3	6	2
6	3	7	1
7	4	8	2
8	4	9	1
9	5	10	1
10	5	6	1
11	6	11	1
12	7	12	2
13	9	13	1
14	10	14	1
15	11	15	2
16	12	15	1
17	13	16	1
18	13	14	1
19	15	17	1
20	16	18	1
21	17	19	1
22	7	20	1
23	9	21	1
24	10	22	1
25	11	23	1
26	12	24	1
27	13	25	1
28	14	26	1
29	14	27	1
30	16	28	1
31	16	29	1
32	18	30	1
33	18	31	1
34	19	32	1
35	19	33	1
36	19	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1