@<TRIPOS>MOLECULE
76956999
27 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.7297    -0.7209     0.6249	O.3	1	noname	0.0000
2	O2    -2.8630    -2.2116    -2.8170	O.3	1	noname	0.0000
3	O3    -3.8009    -1.2370    -1.0672	O.2	1	noname	0.0000
4	N1    -0.3463     1.9999     1.1071	N.3	1	noname	0.0000
5	C1    -0.2893     1.1401    -0.1494	C.3	1	noname	0.0000
6	C2    -1.5512     0.2709    -0.4004	C.3	1	noname	0.0000
7	C3     0.9656     2.7593     1.1997	C.3	1	noname	0.0000
8	C4    -1.4840     3.0102     1.0259	C.3	1	noname	0.0000
9	C5    -0.4774     1.2015     2.4028	C.3	1	noname	0.0000
10	C6    -1.5474    -0.5207    -1.7052	C.3	1	noname	0.0000
11	C7    -2.8001    -1.2998    -1.8430	C.2	1	noname	0.0000
12	H1    -0.1295     1.7552    -1.0443	H	1	noname	0.0000
13	H2     0.5687     0.4604    -0.1417	H	1	noname	0.0000
14	H3    -2.4306     0.9173    -0.4593	H	1	noname	0.0000
15	H4    -1.4948     3.6836     1.8829	H	1	noname	0.0000
16	H5    -2.4720     2.5415     0.9889	H	1	noname	0.0000
17	H6    -1.4088     3.6310     0.1301	H	1	noname	0.0000
18	H7     1.0008     3.4003     2.0811	H	1	noname	0.0000
19	H8     1.1411     3.4120     0.3390	H	1	noname	0.0000
20	H9     1.8283     2.0882     1.2671	H	1	noname	0.0000
21	H10    -0.2571     1.7964     3.2846	H	1	noname	0.0000
22	H11    -1.4567     0.7357     2.5303	H	1	noname	0.0000
23	H12     0.2429     0.3919     2.4265	H	1	noname	0.0000
24	H13    -1.4011     0.1399    -2.5597	H	1	noname	0.0000
25	H14    -0.7101    -1.2262    -1.6638	H	1	noname	0.0000
26	H15    -2.3453    -0.2839     1.2744	H	1	noname	0.0000
27	H16    -3.6573    -2.7753    -2.8394	H	1	noname	0.0000
@<TRIPOS>BOND
1	6	1	1
2	1	26	1
3	2	11	1
4	2	27	1
5	3	11	2
6	4	5	1
7	4	7	1
8	4	8	1
9	4	9	1
10	5	6	1
11	5	12	1
12	5	13	1
13	6	10	1
14	6	14	1
15	7	18	1
16	7	19	1
17	7	20	1
18	8	15	1
19	8	16	1
20	8	17	1
21	9	21	1
22	9	22	1
23	9	23	1
24	10	11	1
25	10	24	1
26	10	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1