@<TRIPOS>MOLECULE
76963364
35 34 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     5.3054    -4.8305     0.0000	O.3	1	noname	-0.2120
2	O2     6.7909    -6.5234     0.0000	O.2	1	noname	-0.2606
3	C1     1.7751    -1.4216     0.0000	C.3	1	noname	-0.0529
4	C2     3.2842    -1.6734     0.0000	C.3	1	noname	-0.0511
5	C3     1.5095     0.0852     0.0000	C.3	1	noname	-0.0498
6	C4     3.5498    -3.1802     0.0000	C.3	1	noname	-0.0290
7	C5     0.0004     0.3371     0.0000	C.3	1	noname	-0.0347
8	C6     5.0589    -3.4321     0.0000	C.3	1	noname	0.0561
9	C7    -0.2478     1.7454     0.0000	C.2	1	noname	-0.0778
10	C8    -1.4976     2.2004     0.0000	C.2	1	noname	-0.0705
11	C9    -2.5165     1.3455     0.0000	C.2	1	noname	-0.0652
12	C10     6.5739    -5.2924     0.0000	C.2	1	noname	0.1320
13	C11    -3.7662     1.8005     0.0000	C.2	1	noname	-0.0666
14	C12    -4.7851     0.9457     0.0000	C.2	1	noname	-0.0761
15	C13    -6.0349     1.4007     0.0000	C.2	1	noname	-0.0882
16	H1     1.3321    -1.8686     0.8900	H	1	noname	0.0267
17	H2     1.3321    -1.8686    -0.8900	H	1	noname	0.0267
18	H3     3.7272    -1.2264    -0.8900	H	1	noname	0.0267
19	H4     3.7272    -1.2264     0.8900	H	1	noname	0.0267
20	H5     1.9525     0.5322    -0.8900	H	1	noname	0.0270
21	H6     1.9525     0.5322     0.8900	H	1	noname	0.0270
22	H7     3.1068    -3.6272    -0.8900	H	1	noname	0.0290
23	H8     3.1068    -3.6272     0.8900	H	1	noname	0.0290
24	H9    -0.4426    -0.1099    -0.8900	H	1	noname	0.0309
25	H10    -0.4426    -0.1099     0.8900	H	1	noname	0.0309
26	H11     5.5019    -2.9851    -0.8900	H	1	noname	0.0572
27	H12     5.5019    -2.9851     0.8900	H	1	noname	0.0572
28	H13     0.5106     2.3817     0.0000	H	1	noname	0.0575
29	H14    -1.6694     3.1754     0.0000	H	1	noname	0.0619
30	H15    -2.3446     0.3706     0.0000	H	1	noname	0.0622
31	H16     7.3554    -4.6368     0.0000	H	1	noname	0.1385
32	H17    -3.9380     2.7755     0.0000	H	1	noname	0.0622
33	H18    -4.6133    -0.0293     0.0000	H	1	noname	0.0616
34	H19    -6.7933     0.7644     0.0000	H	1	noname	0.0537
35	H20    -6.2067     2.3757     0.0000	H	1	noname	0.0537
@<TRIPOS>BOND
1	1	8	1
2	1	12	1
3	2	12	2
4	3	4	1
5	3	5	1
6	3	16	1
7	3	17	1
8	4	6	1
9	4	18	1
10	4	19	1
11	5	7	1
12	5	20	1
13	5	21	1
14	6	8	1
15	6	22	1
16	6	23	1
17	7	9	1
18	7	24	1
19	7	25	1
20	8	26	1
21	8	27	1
22	9	10	2
23	9	28	1
24	10	11	1
25	10	29	1
26	11	13	2
27	11	30	1
28	12	31	1
29	13	14	1
30	13	32	1
31	14	15	2
32	14	33	1
33	15	34	1
34	15	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1