@<TRIPOS>MOLECULE
72941593
26 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.9182     2.7315    -0.9230	O.3	1	noname	-0.2452
2	O2    -0.7887     0.3388    -0.8057	O.3	1	noname	-0.2463
3	N1    -0.8580     4.2891     5.8023	N.3	1	noname	-0.3276
4	C1    -1.9076     3.1514     3.9120	C.3	1	noname	0.0146
5	C2    -0.5860     3.5219     4.5879	C.3	1	noname	0.0052
6	C3    -1.6360     2.3852     2.6992	C.2	1	noname	-0.0556
7	C4    -1.4643     3.0724     1.4551	C.2	1	noname	-0.0200
8	C5    -1.1709     2.2788     0.3148	C.2	1	noname	0.0291
9	C6    -1.5456     0.9618     2.7723	C.2	1	noname	-0.0618
10	C7    -1.0883     0.8810     0.3850	C.2	1	noname	0.0232
11	C8     0.1766     2.2460     4.9508	C.3	1	noname	-0.0497
12	C9    -1.2836     0.1784     1.6033	C.2	1	noname	-0.0195
13	C10    -0.9129     1.4930    -1.6602	C.3	1	noname	0.1587
14	H1    -2.4509     4.0603     3.6535	H	1	noname	0.0331
15	H2    -2.5087     2.5505     4.5944	H	1	noname	0.0331
16	H3     0.0152     4.1228     3.9055	H	1	noname	0.0462
17	H4    -1.5490     4.0869     1.3907	H	1	noname	0.0654
18	H5    -1.6696     0.4963     3.6714	H	1	noname	0.0626
19	H6     0.3794     1.6740     4.0453	H	1	noname	0.0246
20	H7    -0.4246     1.6451     5.6331	H	1	noname	0.0246
21	H8     1.1181     2.5100     5.4323	H	1	noname	0.0246
22	H9    -1.2393    -0.8398     1.6436	H	1	noname	0.0651
23	H10    -1.3673     5.1413     5.5600	H	1	noname	0.1186
24	H11    -1.4216     3.7257     6.4422	H	1	noname	0.1186
25	H12    -1.8290     1.4147    -2.2457	H	1	noname	0.0892
26	H13    -0.1123     1.5000    -2.3998	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