@<TRIPOS>MOLECULE
71587445
35 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.7118    -1.6436    -0.2462	S	1	noname	0.0030
2	S2     0.3221     0.4123    -1.0752	S.3	1	noname	-0.0794
3	S3    -0.9448     3.2784    -0.6956	S	1	noname	-0.0938
4	O1     1.7480    -2.9221    -0.3376	O.2	1	noname	-0.1883
5	O2     3.8652    -1.7311    -1.3746	O.2	1	noname	-0.1883
6	O3    -0.3224     4.7290    -0.5039	O.2	1	noname	-0.1937
7	O4    -1.5968     3.1684    -2.1415	O.2	1	noname	-0.1937
8	N1     4.7857     0.8133    -0.2138	N.3	1	noname	-0.3100
9	N2    -2.1606     3.0082     0.5081	N.3	1	noname	-0.0056
10	C1     3.5170    -1.5372     1.4306	C.3	1	noname	0.0727
11	C2     3.7417     1.0297     0.7866	C.3	1	noname	0.0360
12	C3     3.8317    -0.0792     1.8806	C.3	1	noname	-0.0141
13	C4     2.4195     1.0692     0.1198	C.2	1	noname	0.0798
14	C5     1.8851    -0.0880    -0.4451	C.2	1	noname	0.1206
15	C6     4.8067    -2.3604     1.4301	C.3	1	noname	-0.0456
16	C7     1.5657     2.2045     0.0651	C.2	1	noname	0.0737
17	C8     0.3018     2.0900    -0.5331	C.2	1	noname	0.1240
18	C9     4.7013     1.8523    -1.2388	C.3	1	noname	-0.0071
19	C10     5.7939     1.6258    -2.2857	C.3	1	noname	-0.0527
20	H1     2.8666    -1.9897     2.1791	H	1	noname	0.0501
21	H2     3.9544     2.0048     1.2250	H	1	noname	0.0517
22	H3     3.1918     0.1875     2.7218	H	1	noname	0.0302
23	H4     4.8370    -0.0679     2.3015	H	1	noname	0.0302
24	H5     5.2778    -2.2981     2.4111	H	1	noname	0.0246
25	H6     4.5735    -3.4009     1.2044	H	1	noname	0.0246
26	H7     5.4876    -1.9685     0.6746	H	1	noname	0.0246
27	H8     5.7023     0.8525     0.2365	H	1	noname	0.1228
28	H9     1.8696     3.0955     0.4578	H	1	noname	0.0652
29	H10     3.7237     1.8105    -1.7190	H	1	noname	0.0425
30	H11     4.8378     2.8302    -0.7771	H	1	noname	0.0425
31	H12     5.7310     2.4004    -3.0499	H	1	noname	0.0243
32	H13     5.6574     0.6479    -2.7475	H	1	noname	0.0243
33	H14     6.7715     1.6676    -1.8055	H	1	noname	0.0243
34	H15    -3.0860     3.1032     0.0849	H	1	noname	0.1404
35	H16    -2.0566     2.0667     0.8919	H	1	noname	0.1404
@<TRIPOS>BOND
1	1	4	2
2	1	5	2
3	1	10	1
4	1	14	1
5	2	14	1
6	2	17	1
7	3	6	2
8	3	7	2
9	3	9	1
10	3	17	1
11	11	8	1
12	8	18	1
13	8	27	1
14	9	34	1
15	9	35	1
16	10	12	1
17	10	15	1
18	10	20	1
19	11	12	1
20	11	13	1
21	11	21	1
22	12	22	1
23	12	23	1
24	13	14	2
25	13	16	1
26	15	24	1
27	15	25	1
28	15	26	1
29	16	17	2
30	16	28	1
31	18	19	1
32	18	29	1
33	18	30	1
34	19	31	1
35	19	32	1
36	19	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1