@<TRIPOS>MOLECULE
DB07538
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -5.5490    -5.9543    -8.2678	S	1	noname	-0.1122
2	O1    -6.8597    -5.2547    -7.7014	O.2	1	noname	-0.1984
3	O2    -5.9434    -7.3182    -8.9837	O.2	1	noname	-0.1984
4	N1    -4.7815    -4.9033    -9.4106	N.3	1	noname	-0.0097
5	C1    -4.4604    -6.2814    -6.9636	C.2	1	noname	0.0618
6	C2    -3.0571    -6.3288    -7.2402	C.2	1	noname	0.0669
7	C3    -5.0035    -6.4924    -5.6568	C.2	1	noname	0.0293
8	C4    -2.1624    -6.6086    -6.1630	C.2	1	noname	0.0272
9	C5    -2.5526    -6.0967    -8.5905	C.3	1	noname	0.4176
10	C6    -4.0947    -6.7679    -4.5876	C.2	1	noname	-0.0039
11	C7    -2.6695    -6.8355    -4.8362	C.2	1	noname	0.0095
12	F1    -2.4870    -7.2886    -9.2649	F	1	noname	-0.1660
13	F2    -1.3012    -5.5411    -8.5216	F	1	noname	-0.1660
14	F3    -3.3960    -5.2426    -9.2529	F	1	noname	-0.1660
15	C8    -1.7853    -7.1322    -3.7551	C.2	1	noname	0.0495
16	O3    -2.1447    -6.9009    -2.4729	O.3	1	noname	-0.3641
17	C9    -0.5107    -7.7255    -3.7342	C.2	1	noname	0.0063
18	C10    -1.2111    -7.3816    -1.6293	C.2	1	noname	0.0454
19	C11    -0.1460    -7.8729    -2.3926	C.2	1	noname	0.0071
20	C12    -1.4375    -7.6432    -0.2834	C.2	1	noname	0.0508
21	C13    -2.6857    -7.8863     0.1907	C.2	1	noname	0.0742
22	S2    -4.2235    -7.8754    -0.6163	S.3	1	noname	-0.0435
23	C14    -2.9856    -8.6557     1.3690	C.2	1	noname	0.0679
24	C15    -4.8051    -9.5354    -0.0787	C.2	1	noname	0.0007
25	O4    -2.5973    -8.3832     2.5255	O.2	1	noname	-0.2848
26	N2    -3.8373    -9.8372     0.9970	N.3	1	noname	0.0522
27	N3    -5.7777   -10.2350    -0.5149	N.2	1	noname	-0.2498
28	H1    -3.8514    -5.1127    -9.7439	H	1	noname	0.1404
29	H2    -5.2642    -4.0810    -9.7439	H	1	noname	0.1404
30	H3    -6.0782    -6.4447    -5.4810	H	1	noname	0.0639
31	H4    -1.0900    -6.6490    -6.3540	H	1	noname	0.0636
32	H5    -4.4882    -6.9264    -3.5836	H	1	noname	0.0630
33	H6     0.0850    -8.0176    -4.5991	H	1	noname	0.0651
34	H7     0.7876    -8.2899    -2.0149	H	1	noname	0.0651
35	H8    -0.6084    -7.6581     0.4241	H	1	noname	0.0664
36	H9    -3.7659   -10.7475     1.4288	H	1	noname	0.1395
37	H10    -6.2990   -10.6099     0.2647	H	1	noname	0.1893
@<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	6	9	1
9	7	10	2
10	8	11	2
11	9	12	1
12	9	13	1
13	9	14	1
14	10	11	1
15	11	15	1
16	15	16	1
17	15	17	2
18	16	18	1
19	17	19	1
20	18	20	1
21	18	19	2
22	20	21	2
23	21	22	1
24	21	23	1
25	22	24	1
26	23	25	2
27	23	26	1
28	24	27	2
29	24	26	1
30	4	28	1
31	4	29	1
32	7	30	1
33	8	31	1
34	10	32	1
35	17	33	1
36	19	34	1
37	20	35	1
38	26	36	1
39	27	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1