@<TRIPOS>MOLECULE
55295310
24 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.0528    -3.5512    -0.5894	O.3	1	noname	-0.3913
2	N1    -1.2941    -1.1140    -1.3214	N.3	1	noname	-0.3218
3	C1    -0.0275    -1.0427    -0.5970	C.3	1	noname	0.0557
4	C2     0.1646    -2.3776     0.1997	C.3	1	noname	0.0706
5	C3     0.0059     0.2502     0.1808	C.2	1	noname	-0.0464
6	C4     1.5470    -2.5797     0.8524	C.3	1	noname	-0.0371
7	C5     0.0199     1.4964    -0.5031	C.2	1	noname	-0.0517
8	C6     0.0575     0.2857     1.6010	C.2	1	noname	-0.0517
9	C7     0.1450     2.7151     0.2041	C.2	1	noname	-0.0591
10	C8     0.3159     1.4806     2.2873	C.2	1	noname	-0.0591
11	C9     0.3283     2.7106     1.5997	C.2	1	noname	-0.0613
12	H1     0.7451    -1.0172    -1.3668	H	1	noname	0.0540
13	H2    -0.5772    -2.4341     0.9982	H	1	noname	0.0617
14	H3     1.9158    -1.6772     1.3401	H	1	noname	0.0257
15	H4     2.2624    -2.9020     0.0958	H	1	noname	0.0257
16	H5     1.4718    -3.3915     1.5759	H	1	noname	0.0257
17	H6    -0.0368     1.5367    -1.5293	H	1	noname	0.0626
18	H7    -0.0275    -0.5672     2.1589	H	1	noname	0.0626
19	H8    -2.0604    -1.2368    -0.6564	H	1	noname	0.1190
20	H9    -1.4349    -0.2491    -1.8474	H	1	noname	0.1190
21	H10     0.1365     3.6067    -0.3011	H	1	noname	0.0622
22	H11     0.4909     1.4586     3.2953	H	1	noname	0.0622
23	H12     0.5797    -3.5633    -1.3379	H	1	noname	0.2105
24	H13     0.4950     3.5747     2.1119	H	1	noname	0.0622
@<TRIPOS>BOND
1	4	1	1
2	1	23	1
3	3	2	1
4	2	19	1
5	2	20	1
6	3	4	1
7	3	5	1
8	3	12	1
9	4	6	1
10	4	13	1
11	5	7	2
12	5	8	1
13	6	14	1
14	6	15	1
15	6	16	1
16	7	9	1
17	7	17	1
18	8	10	2
19	8	18	1
20	9	11	2
21	9	21	1
22	10	11	1
23	10	22	1
24	11	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1