@<TRIPOS>MOLECULE
119026220
24 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.0546    -2.5409     2.2705	O.3	1	noname	0.0000
2	O2     0.5489    -1.0086     2.6625	O.2	1	noname	0.0000
3	N1     0.4792     0.0548     0.3434	N.2	1	noname	0.0000
4	C1     0.9435     2.4246     0.4937	C.2	1	noname	0.0000
5	C2     2.2630     2.1445    -0.0050	C.2	1	noname	0.0000
6	C3     0.0341     1.3330     0.6539	C.2	1	noname	0.0000
7	C4     1.7471    -0.2595    -0.1278	C.2	1	noname	0.0000
8	C5     2.6791     0.8063    -0.3273	C.2	1	noname	0.0000
9	C6    -0.4064    -0.9827     0.5164	C.3	1	noname	0.0000
10	C7     0.5512     3.7603     0.8209	C.3	1	noname	0.0000
11	C8     3.1840     3.2235    -0.1849	C.3	1	noname	0.0000
12	C9    -0.2787    -1.5106     1.8716	C.2	1	noname	0.0000
13	H1    -0.8891     1.4845     0.9778	H	1	noname	0.0000
14	H2     1.9991    -1.1973    -0.3206	H	1	noname	0.0000
15	H3     3.5874     0.6275    -0.6782	H	1	noname	0.0000
16	H4    -1.4232    -0.6221     0.3612	H	1	noname	0.0000
17	H5    -0.1868    -1.7715    -0.2030	H	1	noname	0.0000
18	H6    -0.3030     4.0484     0.2083	H	1	noname	0.0000
19	H7     0.2762     3.8104     1.8745	H	1	noname	0.0000
20	H8     1.3815     4.4400     0.6294	H	1	noname	0.0000
21	H9     3.4814     3.2766    -1.2322	H	1	noname	0.0000
22	H10     2.7077     4.1600     0.1054	H	1	noname	0.0000
23	H11     4.0649     3.0565     0.4349	H	1	noname	0.0000
24	H12    -0.7233    -3.1719     2.9432	H	1	noname	0.0000
@<TRIPOS>BOND
1	1	12	1
2	1	24	1
3	2	12	2
4	3	6	2
5	3	7	1
6	3	9	1
7	4	5	2
8	4	6	1
9	4	10	1
10	5	8	1
11	5	11	1
12	6	13	1
13	7	8	2
14	7	14	1
15	8	15	1
16	9	12	1
17	9	16	1
18	9	17	1
19	10	18	1
20	10	19	1
21	10	20	1
22	11	21	1
23	11	22	1
24	11	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1