@<TRIPOS>MOLECULE
DB02519
34 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.2620     1.8867     4.4395	S	1	noname	-0.0464
2	O1    -0.9770     0.6179     5.0776	O.2	1	noname	-0.1688
3	O2     1.1931     2.0434     5.0610	O.2	1	noname	-0.1688
4	O3    -1.1698     3.2724     4.7741	O.3	1	noname	-0.1486
5	C1    -0.1381     1.6781     2.7266	C.2	1	noname	0.0320
6	C2     0.2441     0.4085     2.1984	C.2	1	noname	0.0550
7	C3    -0.4199     2.7794     1.8608	C.2	1	noname	0.0414
8	C4     0.3409     0.2789     0.7768	C.2	1	noname	0.0171
9	C5    -0.3518     2.6498     0.4407	C.2	1	noname	-0.0012
10	C6     0.7243    -0.7961    -0.0260	C.2	1	noname	0.0698
11	C7     0.0190     1.3664    -0.0637	C.2	1	noname	0.0388
12	C8     0.4926    -0.3846    -1.4056	C.2	1	noname	0.1097
13	C9     1.3095    -1.9742     0.2874	C.2	1	noname	0.0206
14	N1     0.1083     0.9809    -1.3394	N.3	1	noname	-0.1284
15	O4     0.6080    -1.0875    -2.4327	O.2	1	noname	-0.2732
16	N2     1.7725    -2.8519    -0.6209	N.3	1	noname	-0.0035
17	C10     1.7908    -2.3610     1.6086	C.2	1	noname	0.0769
18	C11     2.9318    -3.3037    -0.1621	C.2	1	noname	0.0098
19	O5     1.2790    -2.2379     2.7423	O.2	1	noname	-0.2897
20	C12     3.0432    -2.9293     1.1886	C.2	1	noname	-0.0184
21	C13     4.0091    -3.9056    -0.8667	C.2	1	noname	-0.0466
22	C14     4.2554    -3.0619     1.9121	C.2	1	noname	-0.0192
23	C15     5.2530    -3.9999    -0.1710	C.2	1	noname	-0.0420
24	C16     5.3792    -3.5700     1.1953	C.2	1	noname	-0.0709
25	H1    -1.2435     3.3849     5.7246	H	1	noname	0.2388
26	H2     0.4547    -0.4333     2.8581	H	1	noname	0.0646
27	H3    -0.6933     3.7416     2.2940	H	1	noname	0.0640
28	H4    -0.5713     3.4861    -0.2231	H	1	noname	0.0640
29	H5    -0.0796     1.6056    -2.1105	H	1	noname	0.1374
30	H6     1.3309    -3.1220    -1.4882	H	1	noname	0.1343
31	H7     3.8880    -4.2748    -1.8851	H	1	noname	0.0639
32	H8     4.3200    -2.7874     2.9650	H	1	noname	0.0630
33	H9     6.1203    -4.4066    -0.6912	H	1	noname	0.0623
34	H10     6.3449    -3.6303     1.6971	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	2
6	5	7	1
7	6	8	1
8	7	9	2
9	8	10	1
10	8	11	2
11	9	11	1
12	10	12	1
13	10	13	2
14	11	14	1
15	12	15	2
16	12	14	1
17	13	16	1
18	13	17	1
19	16	18	1
20	17	19	2
21	17	20	1
22	18	21	1
23	18	20	2
24	20	22	1
25	21	23	2
26	22	24	2
27	23	24	1
28	4	25	1
29	6	26	1
30	7	27	1
31	9	28	1
32	14	29	1
33	16	30	1
34	21	31	1
35	22	32	1
36	23	33	1
37	24	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1