@<TRIPOS>MOLECULE
76956865
35 34 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.1928    -3.1806    -0.3031	O.3	1	noname	-0.3862
2	C1     2.1978    -2.1989    -0.5674	C.3	1	noname	0.0775
3	C2     1.0481    -0.4789     1.7102	C.3	1	noname	-0.0287
4	C3     2.2878    -0.1296     1.0095	C.2	1	noname	-0.0673
5	C4     2.7319    -0.9511     0.0229	C.2	1	noname	-0.0615
6	C5     0.4674     0.3861     2.8508	C.3	1	noname	-0.0311
7	C6     2.0923    -2.0462    -2.0970	C.3	1	noname	-0.0327
8	C7     0.8877    -2.9346    -0.1563	C.3	1	noname	-0.0327
9	C8     3.0324     1.0920     1.3348	C.3	1	noname	-0.0438
10	C9    -0.7790    -0.1079     3.4239	C.2	1	noname	-0.0837
11	C10    -1.4655     0.5217     4.4047	C.2	1	noname	-0.0821
12	C11    -2.6852     0.0073     4.9550	C.3	1	noname	-0.0442
13	C12    -1.0934     1.7644     5.0200	C.3	1	noname	-0.0442
14	H1     0.2778    -0.5094     0.9487	H	1	noname	0.0315
15	H2     1.1590    -1.4724     2.1231	H	1	noname	0.0315
16	H3     3.5959    -0.6838    -0.4145	H	1	noname	0.0605
17	H4     0.2599     1.3700     2.4367	H	1	noname	0.0313
18	H5     1.2062     0.4615     3.6550	H	1	noname	0.0313
19	H6    -0.0608    -2.3841    -0.2396	H	1	noname	0.0263
20	H7     0.8116    -3.8742    -0.7034	H	1	noname	0.0263
21	H8     0.9848    -3.1601     0.9057	H	1	noname	0.0263
22	H9     1.3359    -1.2987    -2.3363	H	1	noname	0.0263
23	H10     1.8110    -3.0021    -2.5390	H	1	noname	0.0263
24	H11     3.0553    -1.7299    -2.4979	H	1	noname	0.0263
25	H12     2.3968     1.9610     1.1646	H	1	noname	0.0276
26	H13     3.3371     1.0640     2.3810	H	1	noname	0.0276
27	H14     3.9163     1.1585     0.7006	H	1	noname	0.0276
28	H15    -1.1388    -0.9678     3.0622	H	1	noname	0.0575
29	H16     3.3216    -3.2628     0.6649	H	1	noname	0.2112
30	H17    -3.4317    -0.0797     4.1656	H	1	noname	0.0276
31	H18    -3.0499     0.6851     5.7268	H	1	noname	0.0276
32	H19    -2.5014    -0.9746     5.3911	H	1	noname	0.0276
33	H20    -1.5405     2.5912     4.4681	H	1	noname	0.0276
34	H21    -1.4493     1.7806     6.0501	H	1	noname	0.0276
35	H22    -0.0081     1.8647     5.0089	H	1	noname	0.0276
@<TRIPOS>BOND
1	1	2	1
2	1	29	1
3	2	5	1
4	2	7	1
5	2	8	1
6	3	4	1
7	3	6	1
8	3	14	1
9	3	15	1
10	4	5	2
11	4	9	1
12	5	16	1
13	6	10	1
14	6	17	1
15	6	18	1
16	7	22	1
17	7	23	1
18	7	24	1
19	8	19	1
20	8	20	1
21	8	21	1
22	9	25	1
23	9	26	1
24	9	27	1
25	10	11	2
26	10	28	1
27	11	12	1
28	11	13	1
29	12	30	1
30	12	31	1
31	12	32	1
32	13	33	1
33	13	34	1
34	13	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1