@<TRIPOS>MOLECULE
91800017
28 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.5094     0.6829     2.3757	O.3	1	noname	-0.2138
2	O2     0.3164    -0.2846     1.4797	O.2	1	noname	-0.2493
3	O3    -4.7505    -1.8219     1.8273	O.2	1	noname	-0.2972
4	N1    -2.6886    -1.5608     0.9825	N.3	1	noname	-0.0721
5	C1    -1.7226    -0.7175     0.3962	C.3	1	noname	0.1039
6	C2    -0.8162    -1.5408    -0.5210	C.3	1	noname	-0.0024
7	C3     0.1841    -0.6676    -1.1281	C.2	1	noname	-0.0540
8	C4    -0.9187    -0.0958     1.4445	C.2	1	noname	0.1442
9	C5     1.4037    -0.4617    -0.4940	C.2	1	noname	-0.0566
10	C6    -0.0833    -0.0421    -2.3403	C.2	1	noname	-0.0566
11	C7    -3.8942    -1.0743     1.3074	C.2	1	noname	0.0392
12	C8     2.3560     0.3696    -1.0720	C.2	1	noname	-0.0604
13	C9     0.8690     0.7892    -2.9183	C.2	1	noname	-0.0604
14	C10     2.0886     0.9951    -2.2842	C.2	1	noname	-0.0616
15	C11    -4.2074     0.3291     1.0543	C.3	1	noname	0.0095
16	H1    -2.2219     0.0569    -0.1862	H	1	noname	0.0581
17	H2    -1.4163    -2.0050    -1.3036	H	1	noname	0.0337
18	H3    -0.3169    -2.3152     0.0614	H	1	noname	0.0337
19	H4    -2.4805    -2.4932     1.1507	H	1	noname	0.1318
20	H5     1.5999    -0.9207     0.3955	H	1	noname	0.0625
21	H6    -0.9783    -0.1932    -2.8057	H	1	noname	0.0625
22	H7     3.2510     0.5207    -0.6067	H	1	noname	0.0622
23	H8     0.6728     1.2482    -3.8079	H	1	noname	0.0622
24	H9     2.7874     1.6052    -2.7084	H	1	noname	0.0622
25	H10    -5.0597     0.3949     0.3780	H	1	noname	0.0324
26	H11    -4.4513     0.8224     1.9952	H	1	noname	0.0324
27	H12    -3.3451     0.8178     0.6007	H	1	noname	0.0324
28	H13    -1.1298     0.7421     3.2773	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	8	1
2	1	28	1
3	2	8	2
4	3	11	2
5	5	4	1
6	4	11	1
7	4	19	1
8	5	6	1
9	5	8	1
10	5	16	1
11	6	7	1
12	6	17	1
13	6	18	1
14	7	9	2
15	7	10	1
16	9	12	1
17	9	20	1
18	10	13	2
19	10	21	1
20	11	15	1
21	12	14	2
22	12	22	1
23	13	14	1
24	13	23	1
25	14	24	1
26	15	25	1
27	15	26	1
28	15	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1