@<TRIPOS>MOLECULE
76972708
36 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.9899     0.3480     5.8409	O.3	1	noname	-0.2189
2	O2     1.0150     1.2221     5.2019	O.2	1	noname	-0.2559
3	C1     0.2953     0.0117    -1.0635	C.3	1	noname	-0.0300
4	C2     0.0803     0.4885     0.3728	C.3	1	noname	-0.0360
5	C3    -1.1126    -0.2047    -1.6338	C.3	1	noname	-0.0388
6	C4    -1.1539    -0.3200     0.7963	C.3	1	noname	-0.0496
7	C5    -2.0591    -0.1784    -0.4271	C.3	1	noname	-0.0499
8	C6     1.2783     0.0776     1.2313	C.3	1	noname	-0.0494
9	C7     1.0068     1.1052    -1.8628	C.3	1	noname	-0.0594
10	C8     1.0356    -1.3271    -1.0397	C.3	1	noname	-0.0594
11	C9    -1.1843    -1.5761    -2.3085	C.3	1	noname	-0.0620
12	C10     1.0631     0.5549     2.6689	C.3	1	noname	-0.0437
13	C11     2.2611     0.1440     3.5274	C.3	1	noname	0.0335
14	C12     2.0558     0.5994     4.8992	C.2	1	noname	0.1348
15	H1    -0.1509     1.5536     0.3812	H	1	noname	0.0308
16	H2    -1.4078     0.5827    -2.3274	H	1	noname	0.0305
17	H3    -1.6252     0.1593     1.6544	H	1	noname	0.0270
18	H4    -0.8832    -1.3658     0.9412	H	1	noname	0.0270
19	H5    -2.7368    -1.0306    -0.4783	H	1	noname	0.0269
20	H6    -2.5609     0.7885    -0.3890	H	1	noname	0.0269
21	H7     1.3783    -1.0077     1.2198	H	1	noname	0.0270
22	H8     2.1851     0.5303     0.8300	H	1	noname	0.0270
23	H9     1.1927    -1.6736    -2.0612	H	1	noname	0.0236
24	H10     0.4422    -2.0608    -0.4943	H	1	noname	0.0236
25	H11     1.1601     0.7652    -2.8870	H	1	noname	0.0236
26	H12     0.3958     2.0079    -1.8672	H	1	noname	0.0236
27	H13     1.9714     1.3216    -1.4036	H	1	noname	0.0236
28	H14     1.9995    -1.2005    -0.5468	H	1	noname	0.0236
29	H15    -2.1845    -1.7298    -2.7136	H	1	noname	0.0233
30	H16    -0.9656    -2.3532    -1.5761	H	1	noname	0.0233
31	H17    -0.4540    -1.6223    -3.1163	H	1	noname	0.0233
32	H18     0.1564     0.1022     3.0701	H	1	noname	0.0272
33	H19     0.9631     1.6402     2.6803	H	1	noname	0.0272
34	H20     2.3611    -0.9413     3.5159	H	1	noname	0.0372
35	H21     3.1679     0.5967     3.1261	H	1	noname	0.0372
36	H22     2.7237     0.2339     6.7771	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	14	1
2	1	36	1
3	2	14	2
4	3	4	1
5	3	5	1
6	3	9	1
7	3	10	1
8	4	6	1
9	4	8	1
10	4	15	1
11	5	7	1
12	5	11	1
13	5	16	1
14	6	7	1
15	6	17	1
16	6	18	1
17	7	19	1
18	7	20	1
19	8	12	1
20	8	21	1
21	8	22	1
22	9	25	1
23	9	26	1
24	9	27	1
25	10	23	1
26	10	24	1
27	10	28	1
28	11	29	1
29	11	30	1
30	11	31	1
31	12	13	1
32	12	32	1
33	12	33	1
34	13	14	1
35	13	34	1
36	13	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1