@<TRIPOS>MOLECULE
118984388
36 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.5134    -2.8965    -1.6353	O.3	1	noname	-0.1919
2	O2    -3.1329    -4.2155     0.6401	O.3	1	noname	-0.3828
3	O3    -2.2863    -4.5056    -2.8582	O.2	1	noname	-0.2429
4	N1     0.9064    -3.5029     0.0024	N.3	1	noname	-0.3143
5	C1     0.4299    -2.1261    -0.3354	C.3	1	noname	0.0349
6	C2    -1.1486    -2.0284    -0.5485	C.3	1	noname	0.1074
7	C3    -1.7732    -0.6768    -0.7187	C.2	1	noname	-0.0414
8	C4     1.3057    -1.6374    -1.5270	C.3	1	noname	-0.0469
9	C5    -3.1667    -0.5942    -0.9726	C.2	1	noname	-0.0484
10	C6    -1.0753     0.5337    -0.4782	C.2	1	noname	-0.0484
11	C7     0.3660    -4.0396     1.2600	C.3	1	noname	-0.0160
12	C8    -2.2414    -4.0628    -1.6983	C.2	1	noname	0.1576
13	C9    -2.9695    -4.8429    -0.6377	C.3	1	noname	0.1368
14	C10    -3.8177     0.6534    -1.0621	C.2	1	noname	-0.0582
15	C11    -1.7062     1.7727    -0.6138	C.2	1	noname	-0.0582
16	C12    -3.0753     1.8362    -0.9165	C.2	1	noname	-0.0610
17	C13    -2.3800    -6.2921    -0.5160	C.3	1	noname	-0.0292
18	H1     0.6895    -1.4827     0.5101	H	1	noname	0.0492
19	H2    -1.6563    -2.3565     0.3604	H	1	noname	0.0678
20	H3     1.0842    -0.6070    -1.8351	H	1	noname	0.0247
21	H4     1.1882    -2.2831    -2.4025	H	1	noname	0.0247
22	H5     2.3608    -1.6549    -1.2279	H	1	noname	0.0247
23	H6     0.5755    -4.0878    -0.7664	H	1	noname	0.1222
24	H7    -3.7345    -1.4414    -1.0623	H	1	noname	0.0626
25	H8    -0.1086     0.5349    -0.1651	H	1	noname	0.0626
26	H9     0.7473    -5.0468     1.4517	H	1	noname	0.0391
27	H10    -0.7036    -4.0915     1.1502	H	1	noname	0.0391
28	H11     0.6847    -3.4052     2.1000	H	1	noname	0.0391
29	H12    -4.0016    -4.9242    -0.9900	H	1	noname	0.0707
30	H13    -4.8232     0.6956    -1.2366	H	1	noname	0.0622
31	H14    -1.1607     2.6249    -0.4891	H	1	noname	0.0622
32	H15    -3.5330     2.7413    -1.0255	H	1	noname	0.0622
33	H16    -2.3888    -6.7954    -1.4819	H	1	noname	0.0262
34	H17    -2.9791    -6.9012     0.1611	H	1	noname	0.0262
35	H18    -1.3456    -6.3047    -0.1561	H	1	noname	0.0262
36	H19    -2.3934    -4.5143     1.2369	H	1	noname	0.2111
@<TRIPOS>BOND
1	6	1	1
2	1	12	1
3	2	13	1
4	2	36	1
5	3	12	2
6	5	4	1
7	4	11	1
8	4	23	1
9	5	6	1
10	5	8	1
11	5	18	1
12	6	7	1
13	6	19	1
14	7	9	2
15	7	10	1
16	8	20	1
17	8	21	1
18	8	22	1
19	9	14	1
20	9	24	1
21	10	15	2
22	10	25	1
23	11	26	1
24	11	27	1
25	11	28	1
26	12	13	1
27	13	17	1
28	13	29	1
29	14	16	2
30	14	30	1
31	15	16	1
32	15	31	1
33	16	32	1
34	17	33	1
35	17	34	1
36	17	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1