@<TRIPOS>MOLECULE
71721462
35 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     0.1424    -0.1402     0.5066	S.3	1	noname	-0.1874
2	O1     4.0929     0.4850     0.7933	O.2	1	noname	-0.2845
3	N1     4.4820    -2.1778     0.2160	N.3	1	noname	-0.2932
4	C1     3.0943    -1.6187     0.0125	C.3	1	noname	0.0742
5	C2     5.0417    -2.2026     1.6029	C.3	1	noname	-0.0010
6	C3     4.6243    -3.6227    -0.0776	C.3	1	noname	-0.0010
7	C4     6.0768    -3.9053     0.2951	C.3	1	noname	-0.0392
8	C5     6.2885    -3.0777     1.5606	C.3	1	noname	-0.0392
9	C6     2.6565    -1.6863    -1.4829	C.3	1	noname	-0.0303
10	C7     3.0617    -0.1187     0.4261	C.2	1	noname	0.1262
11	C8     3.6318    -0.8739    -2.3371	C.3	1	noname	-0.0542
12	C9     1.7635     0.5465     0.3628	C.2	1	noname	0.0481
13	C10     3.2023    -0.9402    -3.8041	C.3	1	noname	-0.0653
14	C11     1.5649     1.8950     0.0908	C.2	1	noname	0.0108
15	C12     0.2156     2.3002     0.0217	C.2	1	noname	-0.0151
16	C13    -0.7851     1.3357     0.2197	C.2	1	noname	0.0315
17	H1     2.3877    -2.1733     0.6366	H	1	noname	0.0553
18	H2     4.3114    -2.6432     2.2816	H	1	noname	0.0430
19	H3     5.2182    -1.2008     1.9945	H	1	noname	0.0430
20	H4     3.9640    -4.1930     0.5758	H	1	noname	0.0430
21	H5     4.3477    -3.8859    -1.0985	H	1	noname	0.0430
22	H6     6.2991    -3.7372     2.4284	H	1	noname	0.0280
23	H7     7.2153    -2.5107     1.4730	H	1	noname	0.0280
24	H8     6.1925    -4.9635     0.5293	H	1	noname	0.0280
25	H9     6.7338    -3.5399    -0.4942	H	1	noname	0.0280
26	H10     1.6526    -1.2743    -1.5865	H	1	noname	0.0287
27	H11     2.6594    -2.7242    -1.8158	H	1	noname	0.0287
28	H12     3.6289     0.1640    -2.0042	H	1	noname	0.0264
29	H13     4.6356    -1.2859    -2.2335	H	1	noname	0.0264
30	H14     3.8971    -0.3615    -4.4127	H	1	noname	0.0230
31	H15     2.1984    -0.5283    -3.9077	H	1	noname	0.0230
32	H16     3.2052    -1.9781    -4.1370	H	1	noname	0.0230
33	H17     2.3389     2.5446    -0.0487	H	1	noname	0.0639
34	H18    -0.0276     3.2724    -0.1680	H	1	noname	0.0631
35	H19    -1.7977     1.4572     0.2023	H	1	noname	0.0739
@<TRIPOS>BOND
1	1	12	1
2	1	16	1
3	2	10	2
4	3	4	1
5	3	5	1
6	3	6	1
7	4	9	1
8	4	10	1
9	4	17	1
10	5	8	1
11	5	18	1
12	5	19	1
13	6	7	1
14	6	20	1
15	6	21	1
16	7	8	1
17	7	24	1
18	7	25	1
19	8	22	1
20	8	23	1
21	9	11	1
22	9	26	1
23	9	27	1
24	10	12	1
25	11	13	1
26	11	28	1
27	11	29	1
28	12	14	2
29	13	30	1
30	13	31	1
31	13	32	1
32	14	15	1
33	14	33	1
34	15	16	2
35	15	34	1
36	16	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1