@<TRIPOS>MOLECULE
86278140
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -4.9713     0.0389    -3.1764	O.3	1	noname	-0.2770
2	O2    -3.3608     0.4774    -5.3484	O.3	1	noname	-0.2762
3	O3     0.4769     2.3903     5.8154	O.3	1	noname	-0.2870
4	N1    -0.2762     2.6786    -0.2025	N.3	1	noname	-0.3092
5	C1    -1.3371     1.6228    -0.1546	C.3	1	noname	0.0365
6	C2    -1.9273     1.3605    -1.5187	C.2	1	noname	-0.0524
7	C3    -1.0912     1.5990    -2.6933	C.2	1	noname	-0.0504
8	C4     0.2935     2.1510    -2.6082	C.3	1	noname	0.0152
9	C5     0.8177     2.4392    -1.1770	C.3	1	noname	-0.0002
10	C6    -2.3134     2.0691     0.9822	C.3	1	noname	0.0151
11	C7    -3.2492     0.8052    -1.6948	C.2	1	noname	-0.0162
12	C8    -1.5847     2.1530     2.2446	C.2	1	noname	-0.0679
13	C9    -1.5714     1.2960    -4.0046	C.2	1	noname	-0.0236
14	C10    -3.7256     0.5279    -2.9989	C.2	1	noname	0.0174
15	C11    -2.8876     0.7664    -4.1176	C.2	1	noname	0.0215
16	C12    -2.2475     2.5329     3.4058	C.2	1	noname	-0.0527
17	C13    -0.2280     1.8530     2.2851	C.2	1	noname	-0.0527
18	C14    -1.5536     2.6128     4.6076	C.2	1	noname	-0.0333
19	C15     0.4658     1.9328     3.4869	C.2	1	noname	-0.0333
20	C16    -0.1970     2.3127     4.6482	C.2	1	noname	-0.0078
21	H1    -0.8693     0.6765     0.1487	H	1	noname	0.0519
22	H2     0.3607     3.0578    -3.2092	H	1	noname	0.0329
23	H3     0.9757     1.4864    -3.1383	H	1	noname	0.0329
24	H4     1.4797     3.3048    -1.2000	H	1	noname	0.0431
25	H5     1.3375     1.5394    -0.8479	H	1	noname	0.0431
26	H6    -3.1193     1.3412     1.0756	H	1	noname	0.0335
27	H7    -2.7323     3.0456     0.7389	H	1	noname	0.0335
28	H8    -0.7069     3.5862    -0.3901	H	1	noname	0.1228
29	H9    -3.8367     0.6137    -0.8833	H	1	noname	0.0654
30	H10    -0.9921     1.4534    -4.8293	H	1	noname	0.0654
31	H11    -3.2430     2.7531     3.3760	H	1	noname	0.0626
32	H12     0.2583     1.5742     1.4330	H	1	noname	0.0626
33	H13    -2.0400     2.8916     5.4597	H	1	noname	0.0650
34	H14     1.4613     1.7126     3.5167	H	1	noname	0.0650
35	H15    -5.4088    -0.0646    -2.3056	H	1	noname	0.2183
36	H16    -2.6790     0.6913    -6.0191	H	1	noname	0.2183
37	H17    -0.1351     2.6700     6.5279	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	14	1
2	1	35	1
3	2	15	1
4	2	36	1
5	3	20	1
6	3	37	1
7	4	5	1
8	4	9	1
9	4	28	1
10	5	6	1
11	5	10	1
12	5	21	1
13	6	7	1
14	6	11	2
15	7	8	1
16	7	13	2
17	8	9	1
18	8	22	1
19	8	23	1
20	9	24	1
21	9	25	1
22	10	12	1
23	10	26	1
24	10	27	1
25	11	14	1
26	11	29	1
27	12	16	2
28	12	17	1
29	13	15	1
30	13	30	1
31	14	15	2
32	16	18	1
33	16	31	1
34	17	19	2
35	17	32	1
36	18	20	2
37	18	33	1
38	19	20	1
39	19	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1