@<TRIPOS>MOLECULE
DB04800
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     3.5599     0.3234     0.3750	S	1	noname	-0.0423
2	O1     4.3143     0.2623     1.7733	O.2	1	noname	-0.1591
3	O2     4.5966     0.0489    -0.7989	O.2	1	noname	-0.1591
4	O3     2.3443    -0.8501     0.3390	O.3	1	noname	-0.1396
5	N1     2.8759     1.8446     0.1737	N.3	1	noname	0.1121
6	C1     2.0218     1.8172    -0.8584	C.2	1	noname	-0.0272
7	N2     0.7145     1.5317    -0.8146	N.3	1	noname	-0.0128
8	C2     2.3126     2.0790    -2.1893	C.2	1	noname	0.0240
9	N3     0.1829     1.5952    -1.9939	N.2	1	noname	-0.3198
10	C3     0.0089     1.2046     0.3615	C.3	1	noname	-0.0315
11	C4     1.1194     1.9295    -2.8894	C.2	1	noname	0.0339
12	C5     0.9355     2.0956    -4.2571	C.2	1	noname	-0.0284
13	C6    -0.3234     1.9109    -4.8166	C.2	1	noname	-0.0312
14	C7     2.0106     2.4463    -5.0654	C.2	1	noname	-0.0312
15	C8    -0.5073     2.0769    -6.1843	C.2	1	noname	-0.0523
16	C9     1.8267     2.6124    -6.4332	C.2	1	noname	-0.0523
17	C10     0.5677     2.4277    -6.9926	C.2	1	noname	-0.0492
18	H1     2.1003    -1.0857     1.2370	H	1	noname	0.2398
19	H2     2.9732     2.7304     0.6490	H	1	noname	0.1539
20	H3     3.2846     2.3485    -2.6024	H	1	noname	0.0677
21	H4    -0.0503     0.1207     0.4601	H	1	noname	0.0454
22	H5     0.5289     1.6201     1.2246	H	1	noname	0.0454
23	H6    -0.9974     1.6201     0.3089	H	1	noname	0.0454
24	H7    -1.1665     1.6358    -4.1828	H	1	noname	0.0629
25	H8     2.9978     2.5911    -4.6267	H	1	noname	0.0629
26	H9    -1.4946     1.9321    -6.6231	H	1	noname	0.0622
27	H10     2.6697     2.8874    -7.0670	H	1	noname	0.0622
28	H11     0.4235     2.5579    -8.0652	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	1	5	1
5	5	6	1
6	6	7	1
7	6	8	2
8	7	9	1
9	7	10	1
10	8	11	1
11	9	11	2
12	11	12	1
13	12	13	2
14	12	14	1
15	13	15	1
16	14	16	2
17	15	17	2
18	16	17	1
19	4	18	1
20	5	19	1
21	8	20	1
22	10	21	1
23	10	22	1
24	10	23	1
25	13	24	1
26	14	25	1
27	15	26	1
28	16	27	1
29	17	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1