@<TRIPOS>MOLECULE
76956136
40 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.4580    -2.0273    -0.4672	O.3	1	noname	-0.2018
2	O2     3.8254    -4.1845    -0.2834	O.2	1	noname	-0.2527
3	C1     2.2557     0.0910    -1.0075	C.3	1	noname	-0.0083
4	C2     3.5954    -0.5868    -0.4827	C.3	1	noname	0.0755
5	C3     1.7873    -0.2982    -2.4513	C.3	1	noname	-0.0437
6	C4     2.3148     1.6580    -0.8739	C.3	1	noname	-0.0292
7	C5     0.5617     0.5214    -2.9417	C.3	1	noname	-0.0319
8	C6     0.4870     1.9100    -2.4885	C.2	1	noname	-0.0800
9	C7     1.3004     2.4217    -1.5319	C.2	1	noname	-0.0824
10	C8     3.7247    -0.1600     1.0396	C.3	1	noname	-0.0352
11	C9     4.7551    -0.2447    -1.5052	C.3	1	noname	-0.0352
12	C10    -0.4950     2.7871    -3.0964	C.3	1	noname	-0.0439
13	C11     4.3072    -3.0416    -0.1283	C.2	1	noname	0.1431
14	C12     5.7083    -2.8701     0.3705	C.3	1	noname	0.0395
15	C13     6.7679    -3.4431    -0.5733	C.3	1	noname	-0.0534
16	C14     5.9326    -3.4013     1.7824	C.3	1	noname	-0.0534
17	H1     1.4386    -0.2424    -0.3542	H	1	noname	0.0335
18	H2     1.5579    -1.3676    -2.5109	H	1	noname	0.0274
19	H3     2.5745    -0.0888    -3.1712	H	1	noname	0.0274
20	H4     2.2464     1.9501     0.1802	H	1	noname	0.0313
21	H5     3.2472     2.0368    -1.2909	H	1	noname	0.0313
22	H6    -0.3597     0.0032    -2.6669	H	1	noname	0.0312
23	H7     0.5970     0.5147    -4.0338	H	1	noname	0.0312
24	H8     1.2147     3.3776    -1.2752	H	1	noname	0.0575
25	H9     3.9476     0.8908     1.1575	H	1	noname	0.0260
26	H10     2.7841    -0.3066     1.5737	H	1	noname	0.0260
27	H11     4.9792     0.8116    -1.5411	H	1	noname	0.0260
28	H12     4.4930    -0.5226    -2.5199	H	1	noname	0.0260
29	H13     5.6943    -0.7483    -1.3456	H	1	noname	0.0260
30	H14     4.4534    -0.6975     1.6249	H	1	noname	0.0260
31	H15    -1.4805     2.3493    -2.9247	H	1	noname	0.0276
32	H16    -0.4979     3.8075    -2.6879	H	1	noname	0.0276
33	H17    -0.2990     2.8551    -4.1723	H	1	noname	0.0276
34	H18     5.9553    -1.8322     0.4665	H	1	noname	0.0403
35	H19     7.7585    -3.2829    -0.1476	H	1	noname	0.0238
36	H20     6.5975    -4.5116    -0.7050	H	1	noname	0.0238
37	H21     6.7025    -2.9430    -1.5396	H	1	noname	0.0238
38	H22     6.9713    -3.2399     2.0706	H	1	noname	0.0238
39	H23     5.2770    -2.8758     2.4767	H	1	noname	0.0238
40	H24     5.7097    -4.4680     1.8089	H	1	noname	0.0238
@<TRIPOS>BOND
1	1	4	1
2	1	13	1
3	2	13	2
4	3	4	1
5	3	5	1
6	3	6	1
7	3	17	1
8	4	10	1
9	4	11	1
10	5	7	1
11	5	18	1
12	5	19	1
13	6	9	1
14	6	20	1
15	6	21	1
16	7	8	1
17	7	22	1
18	7	23	1
19	8	9	2
20	8	12	1
21	9	24	1
22	10	25	1
23	10	26	1
24	10	30	1
25	11	27	1
26	11	28	1
27	11	29	1
28	12	31	1
29	12	32	1
30	12	33	1
31	13	14	1
32	14	15	1
33	14	16	1
34	14	34	1
35	15	35	1
36	15	36	1
37	15	37	1
38	16	38	1
39	16	39	1
40	16	40	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1