@<TRIPOS>MOLECULE
86206253
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.2467    -0.4303    -1.0696	O.3	1	noname	-0.2677
2	O2     2.3030    -1.2919    -2.8614	O.3	1	noname	-0.2740
3	O3    -2.0810    -0.4451    -0.3708	O.2	1	noname	-0.2975
4	O4     4.4402     2.0406     2.8579	O.2	1	noname	-0.2771
5	N1     3.4782     0.7221     1.3551	N.3	1	noname	-0.1295
6	C1     0.1601     0.0057    -0.1569	C.2	1	noname	-0.0147
7	C2     2.5256     0.1906     0.5277	C.2	1	noname	0.0250
8	C3    -1.7130     1.5634     0.6671	C.2	1	noname	-0.0265
9	C4     1.1487     0.1770     0.8499	C.2	1	noname	0.0003
10	C5    -1.2193     0.3716     0.0282	C.2	1	noname	0.0585
11	C6     0.5931    -0.5468    -1.3955	C.2	1	noname	0.0148
12	C7     2.9297    -0.3547    -0.7260	C.2	1	noname	0.0590
13	C8     1.9533    -0.7881    -1.6546	C.2	1	noname	0.0417
14	C9    -3.0356     1.7218     1.1607	C.2	1	noname	-0.0208
15	C10    -0.8814     2.6894     0.8600	C.2	1	noname	-0.0208
16	C11    -2.5169     3.8261     2.3241	C.2	1	noname	-0.0396
17	C12    -3.4434     2.8386     1.9245	C.2	1	noname	-0.0532
18	C13    -1.2070     3.7007     1.8089	C.2	1	noname	-0.0532
19	C14    -2.9335     4.9722     3.1975	C.3	1	noname	0.0005
20	C15     3.3965     1.7592     2.2528	C.2	1	noname	0.1286
21	C16     2.2434     2.6153     2.5498	C.3	1	noname	0.0098
22	H1     0.8635     0.2996     1.8385	H	1	noname	0.0648
23	H2    -0.0679    -0.7270    -2.1549	H	1	noname	0.0658
24	H3    -3.7299     1.0090     0.9734	H	1	noname	0.0630
25	H4    -0.0260     2.7313     0.3083	H	1	noname	0.0630
26	H5    -4.4204     2.9289     2.2011	H	1	noname	0.0625
27	H6    -0.4839     4.3522     2.1249	H	1	noname	0.0625
28	H7     4.3877     0.3575     1.2720	H	1	noname	0.1371
29	H8    -3.6370     5.5787     2.6379	H	1	noname	0.0279
30	H9    -3.4382     4.6827     4.1261	H	1	noname	0.0279
31	H10    -2.1061     5.6274     3.4759	H	1	noname	0.0279
32	H11     4.3064    -0.8758    -1.9464	H	1	noname	0.2183
33	H12     1.4881    -1.6363    -3.3021	H	1	noname	0.2183
34	H13     1.7896     2.8713     1.5964	H	1	noname	0.0324
35	H14     1.5266     2.0618     3.1564	H	1	noname	0.0324
36	H15     2.5532     3.4797     3.1371	H	1	noname	0.0324
@<TRIPOS>BOND
1	1	12	1
2	1	32	1
3	2	13	1
4	2	33	1
5	3	10	2
6	4	20	2
7	5	7	1
8	5	20	1
9	5	28	1
10	6	9	2
11	6	10	1
12	6	11	1
13	7	9	1
14	7	12	2
15	8	10	1
16	8	14	2
17	8	15	1
18	9	22	1
19	11	13	2
20	11	23	1
21	12	13	1
22	14	17	1
23	14	24	1
24	15	18	2
25	15	25	1
26	16	17	2
27	16	18	1
28	16	19	1
29	17	26	1
30	18	27	1
31	19	29	1
32	19	30	1
33	19	31	1
34	20	21	1
35	21	34	1
36	21	35	1
37	21	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1