@<TRIPOS>MOLECULE
DB00891
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.9021    -1.7178    -0.2141	S	1	noname	-0.0979
2	O1     0.2069    -2.7733     0.2724	O.2	1	noname	-0.1947
3	O2    -2.1811    -2.5513    -0.7020	O.2	1	noname	-0.1947
4	N1    -1.3771    -0.7448     1.1399	N.3	1	noname	0.1037
5	C1    -0.1584    -0.8477    -1.5703	C.2	1	noname	-0.0163
6	C2    -1.6750    -1.1915     2.4033	C.2	1	noname	0.0337
7	C3     0.5789     0.3653    -1.3544	C.2	1	noname	0.0113
8	C4    -0.1839    -1.4776    -2.8630	C.2	1	noname	0.0113
9	N2    -2.0076    -0.2488     3.3626	N.2	1	noname	-0.2440
10	C5    -1.6194    -2.5724     2.7759	C.2	1	noname	-0.0136
11	C6     1.3195     0.9403    -2.4391	C.2	1	noname	-0.0446
12	C7     0.5551    -0.9057    -3.9476	C.2	1	noname	-0.0446
13	C8    -2.2543    -0.5346     4.6891	C.2	1	noname	-0.0032
14	C9    -1.8531    -2.9088     4.1408	C.2	1	noname	-0.0408
15	C10     1.3006     0.2902    -3.7122	C.2	1	noname	-0.0036
16	C11    -2.1599    -1.8930     5.0863	C.2	1	noname	-0.0431
17	N3     2.0066     0.8210    -4.7199	N.3	1	noname	-0.1510
18	H1    -1.5019     0.2554     1.2037	H	1	noname	0.1522
19	H2     0.5764     0.8453    -0.3758	H	1	noname	0.0639
20	H3    -0.7628    -2.3876    -3.0207	H	1	noname	0.0639
21	H4    -1.4047    -3.3472     2.0398	H	1	noname	0.0656
22	H5     1.8890     1.8589    -2.2978	H	1	noname	0.0639
23	H6     0.5503    -1.3715    -4.9330	H	1	noname	0.0639
24	H7    -2.5090     0.2664     5.3831	H	1	noname	0.0839
25	H8    -1.7969    -3.9485     4.4634	H	1	noname	0.0624
26	H9    -2.3250    -2.1595     6.1302	H	1	noname	0.0638
27	H10     1.5563     1.0211    -5.6016	H	1	noname	0.1242
28	H11     2.9890     1.0211    -4.5978	H	1	noname	0.1242
@<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	14	16	1
18	15	17	1
19	4	18	1
20	7	19	1
21	8	20	1
22	10	21	1
23	11	22	1
24	12	23	1
25	13	24	1
26	14	25	1
27	16	26	1
28	17	27	1
29	17	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1