@<TRIPOS>MOLECULE
90479534
21 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     0.1401     0.0135    -0.4859	N.3	1	noname	0.0640
2	N2    -1.5689    -0.9845    -1.7794	N.2	1	noname	-0.2197
3	N3    -1.4910    -1.3350     0.5681	N.2	1	noname	-0.2197
4	N4     3.4208     2.3182    -0.2506	N.2	1	noname	-0.2776
5	C1     0.2807     1.0490    -1.4093	C.2	1	noname	-0.0552
6	C2     1.0696    -0.2703     0.5142	C.2	1	noname	-0.0552
7	C3    -0.9577    -0.7577    -0.5646	C.2	1	noname	0.0913
8	C4     1.4286     1.8754    -1.3540	C.2	1	noname	-0.0152
9	C5     2.2336     0.5275     0.6247	C.2	1	noname	-0.0152
10	C6     2.3793     1.5866    -0.3253	C.2	1	noname	-0.0085
11	C7    -2.6836    -1.7573    -1.8863	C.2	1	noname	0.0126
12	C8    -2.5987    -2.1233     0.5157	C.2	1	noname	0.0126
13	C9    -3.2386    -2.3600    -0.7282	C.2	1	noname	-0.0187
14	H1    -0.4361     1.2093    -2.1170	H	1	noname	0.0761
15	H2     0.9123    -1.0445     1.1593	H	1	noname	0.0761
16	H3     1.5706     2.6390    -2.0150	H	1	noname	0.0655
17	H4     2.9338     0.3555     1.3461	H	1	noname	0.0655
18	H5    -3.1191    -1.9030    -2.7971	H	1	noname	0.0841
19	H6    -2.9682    -2.5431     1.3687	H	1	noname	0.0841
20	H7    -4.0718    -2.9453    -0.7879	H	1	noname	0.0655
21	H8     3.5446     3.0186    -0.8576	H	1	noname	0.1876
@<TRIPOS>BOND
1	1	5	1
2	1	6	1
3	1	7	1
4	2	7	1
5	2	11	2
6	3	7	2
7	3	12	1
8	4	10	2
9	4	21	1
10	5	8	2
11	5	14	1
12	6	9	2
13	6	15	1
14	8	10	1
15	8	16	1
16	9	10	1
17	9	17	1
18	11	13	1
19	11	18	1
20	12	13	2
21	12	19	1
22	13	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1