@<TRIPOS>MOLECULE
101042986
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.2591     1.8585    -0.4772	O.3	1	noname	-0.2448
2	O2     1.4164     3.7700    -0.4964	O.2	1	noname	-0.2629
3	O3     6.3495     2.6922     1.2446	O.3	1	noname	-0.2113
4	O4     5.7042     2.5556    -0.9088	O.2	1	noname	-0.2461
5	N1    -0.2598     2.4335    -0.0409	N.3	1	noname	-0.1271
6	C1     1.4920     0.1221    -0.0022	C.2	1	noname	0.0237
7	C2     0.0414     0.0438     0.3086	C.2	1	noname	-0.0132
8	C3    -0.7850     1.2325     0.2417	C.2	1	noname	-0.0029
9	C4     1.9534     1.4859    -0.2287	C.2	1	noname	0.0640
10	C5     2.4875    -1.0261    -0.0939	C.2	1	noname	-0.0374
11	C6     1.0556     2.5949    -0.2652	C.2	1	noname	0.1233
12	C7    -0.7473    -1.0909     0.7003	C.2	1	noname	-0.0344
13	C8    -2.1843     1.2529     0.4686	C.2	1	noname	-0.0305
14	C9     3.8810    -0.9222    -0.4796	C.2	1	noname	-0.0395
15	C10     2.1886    -2.4026     0.1484	C.2	1	noname	-0.0395
16	C11    -2.1428    -1.1083     0.8721	C.2	1	noname	-0.0564
17	C12    -2.8684     0.0726     0.7602	C.2	1	noname	-0.0481
18	C13     4.8544    -1.9542    -0.3717	C.2	1	noname	-0.0553
19	C14     3.0927    -3.4762     0.1931	C.2	1	noname	-0.0553
20	C15     4.4458    -3.2520    -0.0526	C.2	1	noname	-0.0532
21	C16     4.0633     2.0603     0.6978	C.3	1	noname	0.1392
22	C17     5.4140     2.4486     0.3023	C.2	1	noname	0.1487
23	H1    -0.8436     3.2162    -0.0796	H	1	noname	0.1375
24	H2    -0.3779    -1.9766     0.9357	H	1	noname	0.0629
25	H3    -2.7179     2.1284     0.4245	H	1	noname	0.0639
26	H4     4.2503    -0.0819    -0.9127	H	1	noname	0.0629
27	H5     1.2588    -2.7340     0.2468	H	1	noname	0.0629
28	H6    -2.6294    -1.9797     1.1035	H	1	noname	0.0622
29	H7    -3.8785     0.0688     0.9094	H	1	noname	0.0623
30	H8     5.8460    -1.7929    -0.5418	H	1	noname	0.0622
31	H9     2.7531    -4.4358     0.3574	H	1	noname	0.0622
32	H10     3.6228     2.8483     1.3086	H	1	noname	0.0682
33	H11     4.1049     1.1352     1.2728	H	1	noname	0.0682
34	H12     5.1264    -4.0385    -0.0648	H	1	noname	0.0622
35	H13     7.2951     2.5214     1.0520	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	9	1
2	1	21	1
3	2	11	2
4	3	22	1
5	3	35	1
6	4	22	2
7	5	8	1
8	5	11	1
9	5	23	1
10	6	7	1
11	6	9	2
12	6	10	1
13	7	8	1
14	7	12	2
15	8	13	2
16	9	11	1
17	10	14	2
18	10	15	1
19	12	16	1
20	12	24	1
21	13	17	1
22	13	25	1
23	14	18	1
24	14	26	1
25	15	19	2
26	15	27	1
27	16	17	2
28	16	28	1
29	17	29	1
30	18	20	2
31	18	30	1
32	19	20	1
33	19	31	1
34	20	34	1
35	21	22	1
36	21	32	1
37	21	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1