@<TRIPOS>MOLECULE
DB04489
28 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.7345     0.0399    -0.6479	S.3	1	noname	-0.1460
2	C1     2.8434    -1.3720    -0.7778	C.3	1	noname	0.0998
3	C2     0.4619    -0.3074     0.5768	C.3	1	noname	0.0071
4	C3     3.4994    -1.6319     0.5798	C.2	1	noname	0.1419
5	C4     3.8757    -1.0903    -1.7711	C.3	1	noname	0.0548
6	C5    -0.4807     0.8927     0.6872	C.3	1	noname	0.0114
7	O1     3.3347    -2.7302     1.1535	O.2	1	noname	-0.2510
8	O2     4.2560    -0.6751     1.1581	O.3	1	noname	-0.2150
9	C6     4.7751    -2.2355    -1.8765	C.2	1	noname	0.1356
10	N1    -1.4776     0.6207     1.6465	N.3	1	noname	-0.1246
11	O3     5.7362    -2.2040    -2.6752	O.2	1	noname	-0.2554
12	O4     4.5688    -3.3285    -1.1113	O.3	1	noname	-0.2185
13	C7    -2.2846     1.6482     1.7411	C.2	1	noname	-0.1454
14	N2    -3.2649     1.6161     2.5557	N.2	1	noname	-0.2745
15	N3    -2.0845     2.7088     0.9986	N.3	1	noname	-0.1344
16	H1     2.4544    -2.3347    -1.1096	H	1	noname	0.0529
17	H2    -0.1794    -1.1118     0.2163	H	1	noname	0.0393
18	H3     0.9172    -0.3746     1.5649	H	1	noname	0.0393
19	H4     3.3703    -0.9976    -2.7324	H	1	noname	0.0389
20	H5     4.4669    -0.2605    -1.3839	H	1	noname	0.0389
21	H6     0.0850     1.7332     1.0894	H	1	noname	0.0441
22	H7    -1.0116     0.9960    -0.2592	H	1	noname	0.0441
23	H8     4.1949    -0.7524     2.1130	H	1	noname	0.2213
24	H9    -1.5996    -0.2141     2.2020	H	1	noname	0.1306
25	H10     4.6151    -3.0835    -0.1843	H	1	noname	0.2213
26	H11    -2.9157     1.6275     3.5034	H	1	noname	0.1898
27	H12    -1.1478     2.9554     0.7124	H	1	noname	0.1267
28	H13    -2.8669     3.2798     0.7124	H	1	noname	0.1267
@<TRIPOS>BOND
1	2	1	1
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	1
6	4	7	2
7	4	8	1
8	5	9	1
9	6	10	1
10	9	11	2
11	9	12	1
12	10	13	1
13	13	14	2
14	13	15	1
15	2	16	1
16	3	17	1
17	3	18	1
18	5	19	1
19	5	20	1
20	6	21	1
21	6	22	1
22	8	23	1
23	10	24	1
24	12	25	1
25	14	26	1
26	15	27	1
27	15	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1