@<TRIPOS>MOLECULE
72941555
25 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.7952     1.6107    -1.4986	O.3	1	noname	-0.2138
2	O2     0.5738     1.5591    -1.8663	O.2	1	noname	-0.2494
3	O3    -3.1686     1.7297     0.6466	O.2	1	noname	-0.2985
4	O4     4.0131    -2.1075    -0.1677	O.2	1	noname	-0.2972
5	N1     2.0972    -0.9570    -0.3647	N.3	1	noname	-0.0724
6	N2    -2.7452    -0.4423     0.2773	N.3	1	noname	-0.0909
7	C1     1.3638     0.2191    -0.1058	C.3	1	noname	0.1003
8	C2    -0.1222    -0.1233     0.0176	C.3	1	noname	-0.0195
9	C3    -0.9180     1.1529     0.2985	C.3	1	noname	0.0230
10	C4     1.5562     1.1639    -1.2021	C.2	1	noname	0.1440
11	C5    -2.3361     0.8262     0.4162	C.2	1	noname	0.0325
12	C6     3.3629    -1.0649     0.0618	C.2	1	noname	0.0392
13	C7     3.9826     0.0354     0.7946	C.3	1	noname	0.0095
14	H1     1.7120     0.6669     0.8250	H	1	noname	0.0578
15	H2    -0.4704    -0.5710    -0.9132	H	1	noname	0.0293
16	H3    -0.2659    -0.8286     0.8361	H	1	noname	0.0293
17	H4    -0.7744     1.8583    -0.5200	H	1	noname	0.0361
18	H5    -0.5699     1.6007     1.2293	H	1	noname	0.0361
19	H6     1.6855    -1.6880    -0.8516	H	1	noname	0.1318
20	H7     4.2833    -0.3106     1.7836	H	1	noname	0.0324
21	H8     3.2678     0.8518     0.8971	H	1	noname	0.0324
22	H9     4.8594     0.3862     0.2503	H	1	noname	0.0324
23	H10    -2.0992    -1.1434     0.0985	H	1	noname	0.1271
24	H11    -3.6874    -0.6593     0.3555	H	1	noname	0.1271
25	H12     3.0194     1.8581    -2.4199	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	10	1
2	1	25	1
3	2	10	2
4	3	11	2
5	4	12	2
6	7	5	1
7	5	12	1
8	5	19	1
9	6	11	1
10	6	23	1
11	6	24	1
12	7	8	1
13	7	10	1
14	7	14	1
15	8	9	1
16	8	15	1
17	8	16	1
18	9	11	1
19	9	17	1
20	9	18	1
21	12	13	1
22	13	20	1
23	13	21	1
24	13	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1