@<TRIPOS>MOLECULE
91826822
25 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -4.2529    -0.8887    -0.5767	O.2	1	noname	-0.2950
2	N1    -1.9488    -0.2665    -0.0906	N.3	1	noname	-0.0670
3	N2     1.5090     1.8050     1.2506	N.2	1	noname	-0.2516
4	C1    -0.8149    -1.0306     0.4597	C.3	1	noname	0.0437
5	C2    -0.9398    -2.3296    -0.3435	C.3	1	noname	-0.0246
6	C3    -2.4503    -2.5958    -0.4453	C.3	1	noname	0.0232
7	C4    -3.0540    -1.1922    -0.3949	C.2	1	noname	0.0432
8	C5     0.4359    -0.1923     0.4081	C.2	1	noname	-0.0122
9	C6    -1.9723     1.1287    -0.2936	C.3	1	noname	-0.0051
10	C7     1.4966    -0.2773    -0.5658	C.2	1	noname	-0.0318
11	C8     0.5057     0.8763     1.3577	C.2	1	noname	0.0067
12	C9     2.5377     0.7032    -0.6651	C.2	1	noname	-0.0241
13	C10     2.4865     1.7613     0.2749	C.2	1	noname	-0.0024
14	H1    -1.0252    -1.2959     1.4969	H	1	noname	0.0523
15	H2    -0.5292    -2.1803    -1.3421	H	1	noname	0.0291
16	H3    -0.3972    -3.1584     0.1112	H	1	noname	0.0291
17	H4    -2.7785    -3.1640     0.4251	H	1	noname	0.0361
18	H5    -2.7614    -3.1681    -1.3192	H	1	noname	0.0361
19	H6    -2.7792     1.5677     0.2932	H	1	noname	0.0399
20	H7    -2.1354     1.3394    -1.3505	H	1	noname	0.0399
21	H8    -1.0204     1.5574     0.0197	H	1	noname	0.0399
22	H9     1.5063    -1.0677    -1.2105	H	1	noname	0.0627
23	H10    -0.1835     0.9464     2.1063	H	1	noname	0.0842
24	H11     3.2717     0.6423    -1.3707	H	1	noname	0.0638
25	H12     3.1837     2.5045     0.2308	H	1	noname	0.0839
@<TRIPOS>BOND
1	1	7	2
2	2	4	1
3	2	7	1
4	2	9	1
5	3	11	1
6	3	13	2
7	4	5	1
8	4	8	1
9	4	14	1
10	5	6	1
11	5	15	1
12	5	16	1
13	6	7	1
14	6	17	1
15	6	18	1
16	8	10	1
17	8	11	2
18	9	19	1
19	9	20	1
20	9	21	1
21	10	12	2
22	10	22	1
23	11	23	1
24	12	13	1
25	12	24	1
26	13	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1