@<TRIPOS>MOLECULE
86278268
40 43 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     3.0878    -0.4099     0.6712	S.3	1	noname	-0.0575
2	S2     4.5297     0.8818    -0.1703	S.3	1	noname	-0.0569
3	O1     2.0960     3.7081     1.4444	O.3	1	noname	-0.2011
4	O2     2.3781     3.4534    -1.5793	O.2	1	noname	-0.2809
5	O3     1.6940    -1.8146    -2.2872	O.2	1	noname	-0.2824
6	O4     4.9350     3.3860    -1.8247	O.3	1	noname	-0.3928
7	O5     3.7339     5.2150     1.7896	O.2	1	noname	-0.2547
8	N1     1.4660     1.3602    -0.7038	N.3	1	noname	-0.0345
9	N2     3.2179     0.1022    -2.4559	N.3	1	noname	-0.0434
10	C1     1.7054    -0.0889    -0.4971	C.3	1	noname	0.1624
11	C2     0.7574     1.8887     0.4745	C.3	1	noname	0.0710
12	C3     0.2978    -0.4567     0.0460	C.3	1	noname	0.0080
13	C4     0.0622     0.6782     0.8956	C.2	1	noname	-0.0518
14	C5     3.6802     1.3367    -1.7271	C.3	1	noname	0.1810
15	C6     2.4814     2.2267    -1.3625	C.2	1	noname	0.0693
16	C7     2.1483    -0.7482    -1.8194	C.2	1	noname	0.0648
17	C8     1.5266     2.4434     1.7487	C.3	1	noname	0.1055
18	C9    -0.6076     0.6405     2.0648	C.2	1	noname	-0.0570
19	C10     4.6116     2.2131    -2.5569	C.3	1	noname	0.0809
20	C11     0.5446     2.5965     2.8154	C.2	1	noname	-0.0568
21	C12     3.7724    -0.2496    -3.7036	C.3	1	noname	-0.0036
22	C13    -0.4696     1.7137     2.9292	C.2	1	noname	-0.0591
23	C14     3.2326     4.1017     2.0574	C.2	1	noname	0.1409
24	C15     3.8764     3.2270     3.0331	C.3	1	noname	0.0221
25	H1     0.0464     2.6410     0.0975	H	1	noname	0.0551
26	H2    -0.4205    -0.4522    -0.7738	H	1	noname	0.0347
27	H3     0.2147    -1.4185     0.5521	H	1	noname	0.0347
28	H4     2.2603     1.6996     2.0595	H	1	noname	0.0675
29	H5    -1.1813    -0.1317     2.2988	H	1	noname	0.0622
30	H6     4.1163     2.4906    -3.4873	H	1	noname	0.0598
31	H7     5.5247     1.6619    -2.7817	H	1	noname	0.0598
32	H8     0.6219     3.3475     3.4558	H	1	noname	0.0603
33	H9     2.9850    -0.2756    -4.4568	H	1	noname	0.0399
34	H10     4.2377    -1.2326    -3.6303	H	1	noname	0.0399
35	H11     4.5233     0.4874    -3.9883	H	1	noname	0.0399
36	H12    -1.1348     1.8370     3.6520	H	1	noname	0.0620
37	H13     5.5337     3.9494    -2.3581	H	1	noname	0.2101
38	H14     3.9255     3.7325     3.9976	H	1	noname	0.0336
39	H15     3.2991     2.3079     3.1337	H	1	noname	0.0336
40	H16     4.8851     2.9875     2.6966	H	1	noname	0.0336
@<TRIPOS>BOND
1	1	2	1
2	1	10	1
3	2	14	1
4	17	3	1
5	3	23	1
6	4	15	2
7	5	16	2
8	6	19	1
9	6	37	1
10	7	23	2
11	8	10	1
12	8	11	1
13	8	15	1
14	9	14	1
15	9	16	1
16	9	21	1
17	10	12	1
18	10	16	1
19	11	13	1
20	11	17	1
21	11	25	1
22	12	13	1
23	12	26	1
24	12	27	1
25	13	18	2
26	14	15	1
27	14	19	1
28	17	20	1
29	17	28	1
30	18	22	1
31	18	29	1
32	19	30	1
33	19	31	1
34	20	22	2
35	20	32	1
36	21	33	1
37	21	34	1
38	21	35	1
39	22	36	1
40	23	24	1
41	24	38	1
42	24	39	1
43	24	40	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1