@<TRIPOS>MOLECULE
76968698
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -0.1073    -2.0772    -0.9801	N.3	1	noname	-0.0368
2	N2     3.6135     1.3567    -3.0236	N.3	1	noname	-0.1604
3	N3    -5.0331    -0.8183    -2.9710	N.3	1	noname	-0.1604
4	C1    -1.3162    -1.7682    -1.4687	C.2	1	noname	-0.0644
5	C2     0.8059    -1.2344    -1.4816	C.2	1	noname	-0.0644
6	C3    -1.7606    -2.3564    -2.6472	C.2	1	noname	-0.0630
7	C4     2.1413    -1.3594    -1.1169	C.2	1	noname	-0.0630
8	C5    -2.1258    -0.8596    -0.7971	C.2	1	noname	-0.0630
9	C6     0.4177    -0.2353    -2.3666	C.2	1	noname	-0.0630
10	C7    -3.8242    -1.1273    -2.4824	C.2	1	noname	-0.0602
11	C8     2.7004     0.5139    -2.5221	C.2	1	noname	-0.0602
12	C9    -3.0146    -2.0359    -3.1540	C.2	1	noname	-0.0710
13	C10     3.0886    -0.4852    -1.6371	C.2	1	noname	-0.0710
14	C11    -3.3798    -0.5392    -1.3040	C.2	1	noname	-0.0710
15	C12     1.3649     0.6389    -2.8868	C.2	1	noname	-0.0710
16	H1    -0.1204    -2.0016    -0.0132	H	1	noname	0.1342
17	H2    -1.1665    -3.0231    -3.1400	H	1	noname	0.0639
18	H3     2.4262    -2.0926    -0.4675	H	1	noname	0.0639
19	H4    -1.7997    -0.4281     0.0676	H	1	noname	0.0639
20	H5    -0.5623    -0.1436    -2.6342	H	1	noname	0.0639
21	H6    -3.3407    -2.4675    -4.0188	H	1	noname	0.0639
22	H7     4.0686    -0.5769    -1.3695	H	1	noname	0.0639
23	H8    -3.9739     0.1276    -0.8111	H	1	noname	0.0639
24	H9     1.0800     1.3720    -3.5362	H	1	noname	0.0639
25	H10     4.4886     1.1330    -2.6699	H	1	noname	0.1242
26	H11     3.3864     2.2659    -2.7733	H	1	noname	0.1242
27	H12    -5.1860    -1.3123    -3.7917	H	1	noname	0.1242
28	H13    -5.7140    -1.0524    -2.3210	H	1	noname	0.1242
@<TRIPOS>BOND
1	1	4	1
2	1	5	1
3	1	16	1
4	2	11	1
5	2	25	1
6	2	26	1
7	3	10	1
8	3	27	1
9	3	28	1
10	4	6	2
11	4	8	1
12	5	7	2
13	5	9	1
14	6	12	1
15	6	17	1
16	7	13	1
17	7	18	1
18	8	14	2
19	8	19	1
20	9	15	2
21	9	20	1
22	10	12	2
23	10	14	1
24	11	13	2
25	11	15	1
26	12	21	1
27	13	22	1
28	14	23	1
29	15	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1