@<TRIPOS>MOLECULE
76969216
26 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -0.6188     1.6052    -1.2405	N.2	1	noname	0.0000
2	N2     1.4568     0.1287    -0.2245	N.2	1	noname	0.0000
3	C1     0.5911     1.6973    -1.9842	C.3	1	noname	0.0000
4	C2     1.7981     0.9860    -1.2952	C.3	1	noname	0.0000
5	C3    -0.7532     0.9606    -0.0411	C.2	1	noname	0.0000
6	C4     0.3140     0.2394     0.5004	C.2	1	noname	0.0000
7	C5    -1.6431     2.1586    -1.8306	C.2	1	noname	0.0000
8	C6     2.3230    -0.8111     0.0046	C.2	1	noname	0.0000
9	C7     0.1738    -0.5354     1.6098	C.2	1	noname	0.0000
10	C8    -1.9778     0.9623     0.5426	C.2	1	noname	0.0000
11	C9     2.1678    -1.6759     1.0482	C.2	1	noname	0.0000
12	C10    -2.8977     2.1377    -1.2878	C.2	1	noname	0.0000
13	C11     1.1094    -1.5016     1.8647	C.2	1	noname	0.0000
14	C12    -3.0389     1.5443    -0.0863	C.2	1	noname	0.0000
15	H1     0.4398     1.2756    -2.9778	H	1	noname	0.0000
16	H2     0.8153     2.7411    -2.2041	H	1	noname	0.0000
17	H3     2.3649     0.4282    -2.0407	H	1	noname	0.0000
18	H4     2.4911     1.7197    -0.8835	H	1	noname	0.0000
19	H5    -1.5068     2.6091    -2.7015	H	1	noname	0.0000
20	H6     3.1102    -0.9016    -0.5887	H	1	noname	0.0000
21	H7    -2.1018     0.5394     1.4291	H	1	noname	0.0000
22	H8    -0.5923    -0.4028     2.2227	H	1	noname	0.0000
23	H9    -3.6699     2.5416    -1.7577	H	1	noname	0.0000
24	H10     2.8138    -2.4103     1.2014	H	1	noname	0.0000
25	H11    -3.9287     1.5304     0.3476	H	1	noname	0.0000
26	H12     1.0073    -2.0812     2.6608	H	1	noname	0.0000
@<TRIPOS>BOND
1	1	3	1
2	1	5	1
3	1	7	2
4	2	4	1
5	2	6	1
6	2	8	2
7	3	4	1
8	3	15	1
9	3	16	1
10	4	17	1
11	4	18	1
12	5	6	1
13	5	10	2
14	6	9	2
15	7	12	1
16	7	19	1
17	8	11	1
18	8	20	1
19	9	13	1
20	9	22	1
21	10	14	1
22	10	21	1
23	11	13	2
24	11	24	1
25	12	14	2
26	12	23	1
27	13	26	1
28	14	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1