@<TRIPOS>MOLECULE
60208580
26 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.7088    -0.2236     0.5168	O.3	1	noname	-0.2452
2	O2    -1.7107    -2.0454     1.7139	O.3	1	noname	-0.2463
3	N1    -0.7165     4.6208     5.4354	N.3	1	noname	-0.3276
4	C1    -1.9456     3.0624     4.0104	C.3	1	noname	0.0146
5	C2    -0.6900     3.2779     4.8578	C.3	1	noname	0.0052
6	C3    -1.9191     1.7214     3.4336	C.2	1	noname	-0.0556
7	C4    -1.3075     1.5159     2.1556	C.2	1	noname	-0.0200
8	C5    -1.2830     0.1860     1.6586	C.2	1	noname	0.0291
9	C6    -2.5038     0.6351     4.1530	C.2	1	noname	-0.0618
10	C7    -1.8623    -0.8797     2.3617	C.2	1	noname	0.0232
11	C8     0.5519     3.1259     3.9773	C.3	1	noname	-0.0497
12	C9    -2.4988    -0.6922     3.6168	C.2	1	noname	-0.0195
13	C10    -1.1894    -1.5810     0.4528	C.3	1	noname	0.1587
14	H1    -2.8303     3.1707     4.6378	H	1	noname	0.0331
15	H2    -1.9750     3.8017     3.2100	H	1	noname	0.0331
16	H3    -0.6606     2.5387     5.6583	H	1	noname	0.0462
17	H4    -0.9073     2.2901     1.6258	H	1	noname	0.0654
18	H5    -2.9314     0.8075     5.0628	H	1	noname	0.0626
19	H6     0.5716     2.1248     3.5467	H	1	noname	0.0246
20	H7     0.5225     3.8652     3.1768	H	1	noname	0.0246
21	H8     1.4464     3.2794     4.5810	H	1	noname	0.0246
22	H9    -2.9335    -1.4691     4.1147	H	1	noname	0.0651
23	H10    -1.5461     4.7223     6.0236	H	1	noname	0.1186
24	H11    -0.7441     5.3139     4.6849	H	1	noname	0.1186
25	H12    -1.9638    -1.6565    -0.3105	H	1	noname	0.0892
26	H13    -0.3960    -2.2440     0.1078	H	1	noname	0.0892
@<TRIPOS>BOND
1	1	8	1
2	1	13	1
3	2	10	1
4	2	13	1
5	5	3	1
6	3	23	1
7	3	24	1
8	4	5	1
9	4	6	1
10	4	14	1
11	4	15	1
12	5	11	1
13	5	16	1
14	6	7	2
15	6	9	1
16	7	8	1
17	7	17	1
18	8	10	2
19	9	12	2
20	9	18	1
21	10	12	1
22	11	19	1
23	11	20	1
24	11	21	1
25	12	22	1
26	13	25	1
27	13	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1