@<TRIPOS>MOLECULE
73425540
40 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.4906     0.4637     2.5467	O.2	1	noname	-0.2982
2	C1    -0.2409     0.7557     0.7496	C.3	1	noname	0.0211
3	C2     0.2166     0.7288    -0.7151	C.3	1	noname	-0.0428
4	C3     0.9903    -0.5921    -0.8428	C.3	1	noname	-0.0457
5	C4     1.2507    -1.0869     0.5849	C.3	1	noname	0.0064
6	C5     0.9341     0.1083     1.4854	C.2	1	noname	0.1350
7	C6    -0.3934     2.2069     1.2096	C.3	1	noname	-0.0250
8	C7    -0.8196     2.2320     2.5744	C.2	1	noname	-0.0821
9	C8    -1.0182     3.3953     3.1878	C.2	1	noname	-0.0797
10	C9    -0.8056     4.6209     2.4825	C.3	1	noname	-0.0288
11	C10     0.6472     5.0665     2.6608	C.3	1	noname	-0.0311
12	C11    -1.4445     3.4204     4.5526	C.3	1	noname	-0.0439
13	C12     0.8598     6.2922     1.9555	C.2	1	noname	-0.0837
14	C13     2.0582     6.8689     1.9707	C.2	1	noname	-0.0821
15	C14     2.2709     8.0946     1.2654	C.3	1	noname	-0.0442
16	C15     3.1340     6.2633     2.6924	C.3	1	noname	-0.0442
17	H1    -1.1334     0.1414     0.8682	H	1	noname	0.0385
18	H2    -0.6560     0.7033    -1.3678	H	1	noname	0.0274
19	H3     0.8930     1.5636    -0.8983	H	1	noname	0.0274
20	H4     0.3790    -1.3214    -1.3743	H	1	noname	0.0271
21	H5     1.9146    -0.4002    -1.3878	H	1	noname	0.0271
22	H6     0.5696    -1.9061     0.8154	H	1	noname	0.0346
23	H7     2.2521    -1.4848     0.7493	H	1	noname	0.0346
24	H8    -1.1348     2.7090     0.5882	H	1	noname	0.0317
25	H9     0.5642     2.7195     1.1186	H	1	noname	0.0317
26	H10    -0.9668     1.3835     3.0627	H	1	noname	0.0575
27	H11    -1.4719     5.3878     2.8775	H	1	noname	0.0315
28	H12    -1.0121     4.4709     1.4228	H	1	noname	0.0315
29	H13     0.8538     5.2166     3.7205	H	1	noname	0.0313
30	H14     1.3135     4.2997     2.2658	H	1	noname	0.0313
31	H15    -2.4025     3.9353     4.6246	H	1	noname	0.0276
32	H16    -1.5524     2.3993     4.9183	H	1	noname	0.0276
33	H17    -0.7034     3.9457     5.1550	H	1	noname	0.0276
34	H18     0.1151     6.7114     1.4559	H	1	noname	0.0575
35	H19     3.4889     6.9508     3.4602	H	1	noname	0.0276
36	H20     2.7845     5.3437     3.1616	H	1	noname	0.0276
37	H21     3.9486     6.0339     2.0055	H	1	noname	0.0276
38	H22     2.5855     8.8674     1.9667	H	1	noname	0.0276
39	H23     1.3439     8.3999     0.7800	H	1	noname	0.0276
40	H24     3.0452     7.9505     0.5120	H	1	noname	0.0276
@<TRIPOS>BOND
1	1	6	2
2	2	3	1
3	2	6	1
4	2	7	1
5	2	17	1
6	3	4	1
7	3	18	1
8	3	19	1
9	4	5	1
10	4	20	1
11	4	21	1
12	5	6	1
13	5	22	1
14	5	23	1
15	7	8	1
16	7	24	1
17	7	25	1
18	8	9	2
19	8	26	1
20	9	10	1
21	9	12	1
22	10	11	1
23	10	27	1
24	10	28	1
25	11	13	1
26	11	29	1
27	11	30	1
28	12	31	1
29	12	32	1
30	12	33	1
31	13	14	2
32	13	34	1
33	14	15	1
34	14	16	1
35	15	38	1
36	15	39	1
37	15	40	1
38	16	35	1
39	16	36	1
40	16	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1