@<TRIPOS>MOLECULE
85821881
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.6089     0.6040     1.7311	O.3	1	noname	-0.1471
2	O2     2.8646     2.6298     2.7598	O.2	1	noname	-0.2524
3	O3     1.7464    -5.6626     1.2662	O.3	1	noname	-0.1885
4	O4     1.8566    -3.6209     2.2107	O.2	1	noname	-0.2326
5	N1     1.4766    -3.7245     0.0021	N.3	1	noname	-0.1122
6	C1     1.2077     0.4173    -0.2562	C.2	1	noname	0.0002
7	C2     2.0409    -0.1995     0.7670	C.2	1	noname	0.0245
8	C3     1.5889     2.6081     0.8235	C.2	1	noname	0.0534
9	C4     1.0404     1.8262    -0.2270	C.2	1	noname	0.0135
10	C5     1.3566     3.9774     0.8802	C.2	1	noname	-0.0350
11	C6     2.1966    -1.6151     0.8321	C.2	1	noname	0.0124
12	C7     1.4274    -2.3878    -0.0794	C.2	1	noname	-0.0084
13	C8     0.5133    -0.3755    -1.2136	C.2	1	noname	-0.0298
14	C9     0.6080    -1.7899    -1.0744	C.2	1	noname	-0.0319
15	C10     2.3799     1.9676     1.8168	C.2	1	noname	0.1180
16	C11     1.8991     4.7321     1.9138	C.2	1	noname	-0.0347
17	C12     0.5819     4.5919    -0.0966	C.2	1	noname	-0.0347
18	C13     1.6668     6.1014     1.9705	C.2	1	noname	-0.0538
19	C14     0.3495     5.9612    -0.0399	C.2	1	noname	-0.0538
20	C15     0.8920     6.7159     0.9937	C.2	1	noname	-0.0490
21	C16     1.6969    -4.3160     1.1841	C.2	1	noname	0.1286
22	C17     2.5577    -6.2844     2.2518	C.3	1	noname	0.0549
23	C18     2.4344    -7.8045     2.1290	C.3	1	noname	-0.0409
24	H1     0.5175     2.2847    -0.9732	H	1	noname	0.0638
25	H2     2.8300    -2.0527     1.5012	H	1	noname	0.0667
26	H3    -0.0281     0.0505    -1.9659	H	1	noname	0.0630
27	H4     0.0743    -2.3885    -1.7047	H	1	noname	0.0639
28	H5     2.4676     4.2812     2.6306	H	1	noname	0.0629
29	H6     0.1838     4.0380    -0.8550	H	1	noname	0.0629
30	H7     1.3527    -4.2638    -0.7946	H	1	noname	0.1395
31	H8     2.0648     6.6552     2.7289	H	1	noname	0.0622
32	H9    -0.2190     6.4121    -0.7567	H	1	noname	0.0622
33	H10     0.7215     7.7207     1.0353	H	1	noname	0.0622
34	H11     2.2289    -5.9721     3.2430	H	1	noname	0.0570
35	H12     3.5972    -5.9912     2.1046	H	1	noname	0.0570
36	H13     3.0572    -8.2818     2.8856	H	1	noname	0.0254
37	H14     1.3949    -8.0977     2.2762	H	1	noname	0.0254
38	H15     2.7632    -8.1168     1.1379	H	1	noname	0.0254
@<TRIPOS>BOND
1	1	7	1
2	1	15	1
3	2	15	2
4	3	21	1
5	3	22	1
6	4	21	2
7	5	12	1
8	5	21	1
9	5	30	1
10	6	7	2
11	6	9	1
12	6	13	1
13	7	11	1
14	8	9	2
15	8	10	1
16	8	15	1
17	9	24	1
18	10	16	2
19	10	17	1
20	11	12	2
21	11	25	1
22	12	14	1
23	13	14	2
24	13	26	1
25	14	27	1
26	16	18	1
27	16	28	1
28	17	19	2
29	17	29	1
30	18	20	2
31	18	31	1
32	19	20	1
33	19	32	1
34	20	33	1
35	22	23	1
36	22	34	1
37	22	35	1
38	23	36	1
39	23	37	1
40	23	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1