@<TRIPOS>MOLECULE
76956766
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.5481    -1.3218     0.9738	O.3	1	noname	-0.3657
2	O2     0.4998    -3.3253    -1.5118	O.3	1	noname	-0.2168
3	O3    -1.6683    -3.9035    -1.7048	O.2	1	noname	-0.2533
4	C1    -0.7827    -1.1496     0.0763	C.2	1	noname	0.0071
5	C2     0.4974    -0.6618     0.4310	C.2	1	noname	0.0422
6	C3    -1.1231    -2.5627     0.2242	C.3	1	noname	0.0696
7	C4     0.8071     0.6880     0.2710	C.2	1	noname	0.0164
8	C5     2.1086     0.8461     0.7642	C.2	1	noname	0.0300
9	C6    -1.7494    -0.2281    -0.4021	C.2	1	noname	-0.0350
10	C7    -0.1659     1.5651    -0.2813	C.2	1	noname	-0.0289
11	C8     2.8735     2.0382     0.8512	C.2	1	noname	-0.0382
12	C9     2.5234    -0.4171     1.1963	C.2	1	noname	0.0486
13	C10    -2.5526    -2.6937     0.4905	C.3	1	noname	-0.0489
14	C11    -1.4354     1.1174    -0.5856	C.2	1	noname	-0.0489
15	C12    -0.7740    -3.3089    -1.0651	C.2	1	noname	0.1386
16	C13     2.3814     3.2969     0.3895	C.2	1	noname	-0.0408
17	C14     4.1808     2.0484     1.4034	C.2	1	noname	-0.0408
18	C15     3.0907     4.4989     0.4452	C.2	1	noname	-0.0558
19	C16     4.9361     3.2467     1.4787	C.2	1	noname	-0.0558
20	C17     4.3856     4.4608     0.9995	C.2	1	noname	-0.0543
21	H1    -0.5585    -2.9875     1.0541	H	1	noname	0.0457
22	H2    -2.6978    -0.4992    -0.6313	H	1	noname	0.0626
23	H3    -0.0923     2.5279    -0.5024	H	1	noname	0.0630
24	H4     3.4220    -0.6391     1.6289	H	1	noname	0.0907
25	H5    -2.8065    -3.7479     0.6008	H	1	noname	0.0242
26	H6    -3.1172    -2.2688    -0.3395	H	1	noname	0.0242
27	H7    -2.8013    -2.1620     1.4089	H	1	noname	0.0242
28	H8    -2.1021     1.8094    -0.9461	H	1	noname	0.0622
29	H9     1.5253     3.4498    -0.0052	H	1	noname	0.0629
30	H10     4.5938     1.1940     1.7511	H	1	noname	0.0629
31	H11     2.6875     5.3693     0.0986	H	1	noname	0.0622
32	H12     5.8748     3.2342     1.8776	H	1	noname	0.0622
33	H13     4.9340     5.3190     1.0564	H	1	noname	0.0622
34	H14     0.6813    -3.3874    -2.4728	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	5	1
2	1	12	1
3	2	15	1
4	2	34	1
5	3	15	2
6	4	5	1
7	4	6	1
8	4	9	2
9	5	7	2
10	6	13	1
11	6	15	1
12	6	21	1
13	7	8	1
14	7	10	1
15	8	11	1
16	8	12	2
17	9	14	1
18	9	22	1
19	10	14	2
20	10	23	1
21	11	16	2
22	11	17	1
23	12	24	1
24	13	25	1
25	13	26	1
26	13	27	1
27	14	28	1
28	16	18	1
29	16	29	1
30	17	19	2
31	17	30	1
32	18	20	2
33	18	31	1
34	19	20	1
35	19	32	1
36	20	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1