@<TRIPOS>MOLECULE
71314076
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     3.6043     2.8424     0.0594	S.3	1	noname	-0.0872
2	S2     4.2984     2.2443     1.9679	S.3	1	noname	-0.0872
3	S3     0.8937    -1.0975     1.1222	S.3	1	noname	-0.1422
4	S4     8.4947     0.3983     4.1880	S.3	1	noname	-0.1422
5	N1     6.5546    -0.5504     3.1445	N.2	1	noname	-0.1790
6	N2     0.9104     1.1128     0.2396	N.2	1	noname	-0.1790
7	N3     7.6571    -2.2663     4.4438	N.2	1	noname	-0.1804
8	N4    -1.1951     0.7521     1.3761	N.2	1	noname	-0.1804
9	N5     6.9653    -4.3873     4.6299	N.3	1	noname	-0.1291
10	N6     5.8036    -2.9059     3.3633	N.3	1	noname	-0.1291
11	N7    -2.8431     2.2564     1.5585	N.3	1	noname	-0.1291
12	N8    -0.9313     2.7738     0.4514	N.3	1	noname	-0.1291
13	C1     3.1217     1.3296    -0.8336	C.3	1	noname	0.0471
14	C2     5.7850     1.2229     1.6704	C.3	1	noname	0.0471
15	C3     6.6166     0.7683     2.7823	C.2	1	noname	0.0538
16	C4     2.1196     0.5551    -0.0979	C.2	1	noname	0.0538
17	C5     2.4136    -0.7665     0.2816	C.2	1	noname	0.0624
18	C6     7.5567     1.6418     3.3546	C.2	1	noname	0.0624
19	C7     7.5088    -1.0618     3.9641	C.2	1	noname	0.1263
20	C8    -0.0089     0.4138     0.9501	C.2	1	noname	0.1263
21	C9     6.8164    -3.1782     4.1484	C.2	1	noname	-0.1167
22	C10    -1.6523     1.9168     1.1309	C.2	1	noname	-0.1167
23	H1     5.5214     0.3720     1.0422	H	1	noname	0.0455
24	H2     6.4059     1.8921     1.0747	H	1	noname	0.0455
25	H3     2.7268     1.5967    -1.8138	H	1	noname	0.0455
26	H4     3.9918     0.6849    -0.9581	H	1	noname	0.0455
27	H5     7.6623     2.6552     3.3054	H	1	noname	0.0760
28	H6     3.2374    -1.3467     0.1231	H	1	noname	0.0760
29	H7     6.2457    -4.9536     4.3101	H	1	noname	0.1267
30	H8     6.9442    -4.3542     5.5992	H	1	noname	0.1267
31	H9     5.2655    -3.7037     3.2413	H	1	noname	0.1267
32	H10     5.2617    -2.2086     3.7646	H	1	noname	0.1267
33	H11    -3.0357     3.1680     1.2887	H	1	noname	0.1267
34	H12    -3.5059     1.6595     1.1774	H	1	noname	0.1267
35	H13    -1.4226     3.6046     0.3545	H	1	noname	0.1267
36	H14    -0.7370     2.4089    -0.4261	H	1	noname	0.1267
@<TRIPOS>BOND
1	1	2	1
2	1	13	1
3	2	14	1
4	3	17	1
5	3	20	1
6	4	18	1
7	4	19	1
8	5	15	1
9	5	19	2
10	6	16	1
11	6	20	2
12	7	19	1
13	7	21	2
14	8	20	1
15	8	22	2
16	9	21	1
17	9	29	1
18	9	30	1
19	10	21	1
20	10	31	1
21	10	32	1
22	11	22	1
23	11	33	1
24	11	34	1
25	12	22	1
26	12	35	1
27	12	36	1
28	13	16	1
29	13	25	1
30	13	26	1
31	14	15	1
32	14	23	1
33	14	24	1
34	15	18	2
35	16	17	2
36	17	28	1
37	18	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1