@<TRIPOS>MOLECULE
76957029
25 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.6915    -0.9895     0.5619	O.2	1	noname	-0.2922
2	N1     1.2375    -2.9984    -0.1733	N.3	1	noname	-0.3104
3	C1     0.0637    -2.4076     0.4849	C.3	1	noname	0.0678
4	C2    -0.7455    -1.3464    -0.1710	C.2	1	noname	0.1000
5	C3    -0.8607    -3.5232     0.9766	C.3	1	noname	-0.0423
6	C4    -0.5719    -0.7278    -1.4665	C.2	1	noname	-0.0180
7	C5     0.4788    -1.0738    -2.3662	C.2	1	noname	-0.0179
8	C6    -1.4826     0.2913    -1.9074	C.2	1	noname	-0.0179
9	C7     1.8303    -4.0084     0.7020	C.3	1	noname	-0.0157
10	C8     0.6417    -0.4696    -3.6220	C.2	1	noname	-0.0479
11	C9    -1.3275     0.9085    -3.1745	C.2	1	noname	-0.0479
12	C10    -0.2702     0.5277    -4.0241	C.2	1	noname	-0.0401
13	H1     0.3964    -1.9698     1.4261	H	1	noname	0.0547
14	H2    -1.7312    -3.0851     1.4648	H	1	noname	0.0251
15	H3    -1.1849    -4.1266     0.1287	H	1	noname	0.0251
16	H4    -0.3245    -4.1529     1.6866	H	1	noname	0.0251
17	H5     1.9253    -2.2670    -0.3641	H	1	noname	0.1226
18	H6     1.1777    -1.7787    -2.1588	H	1	noname	0.0630
19	H7    -2.2791     0.6051    -1.3129	H	1	noname	0.0630
20	H8     2.7008    -4.4465     0.2138	H	1	noname	0.0391
21	H9     1.0967    -4.7885     0.9054	H	1	noname	0.0391
22	H10     2.1352    -3.5430     1.6393	H	1	noname	0.0391
23	H11     1.4103    -0.7489    -4.2356	H	1	noname	0.0622
24	H12    -1.9957     1.6411    -3.4722	H	1	noname	0.0622
25	H13    -0.1437     0.9692    -4.9526	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	4	2
2	3	2	1
3	2	9	1
4	2	17	1
5	3	4	1
6	3	5	1
7	3	13	1
8	4	6	1
9	5	14	1
10	5	15	1
11	5	16	1
12	6	7	2
13	6	8	1
14	7	10	1
15	7	18	1
16	8	11	2
17	8	19	1
18	9	20	1
19	9	21	1
20	9	22	1
21	10	12	2
22	10	23	1
23	11	12	1
24	11	24	1
25	12	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1