@<TRIPOS>MOLECULE
76964259
34 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.1266     3.9444     0.3147	O.3	1	noname	-0.2168
2	O2     3.4664     5.1541    -1.4667	O.2	1	noname	-0.2532
3	C1     1.6901     4.1398    -0.1892	C.3	1	noname	0.0696
4	C2     1.4731     2.6967    -0.2325	C.2	1	noname	-0.0479
5	C3     0.8482     4.7888    -1.1901	C.3	1	noname	-0.0398
6	C4     1.1185     2.0828    -1.4281	C.2	1	noname	-0.0491
7	C5     1.6212     1.9367     0.9219	C.2	1	noname	-0.0491
8	C6     1.0600    -0.0512    -0.3149	C.2	1	noname	-0.0401
9	C7    -0.6219     4.4849    -0.8945	C.3	1	noname	-0.0643
10	C8     0.9120     0.7088    -1.4693	C.2	1	noname	-0.0452
11	C9     1.4147     0.5627     0.8806	C.2	1	noname	-0.0452
12	C10     3.1602     4.4437    -0.4848	C.2	1	noname	0.1387
13	C11     0.8535    -1.4252    -0.3562	C.2	1	noname	-0.0409
14	C12     1.0016    -2.1852     0.7982	C.2	1	noname	-0.0477
15	C13     0.4989    -2.0391    -1.5517	C.2	1	noname	-0.0477
16	C14     0.7950    -3.5591     0.7570	C.2	1	noname	-0.0576
17	C15     0.2923    -3.4130    -1.5930	C.2	1	noname	-0.0576
18	C16     0.4404    -4.1731    -0.4386	C.2	1	noname	-0.0607
19	H1     1.4332     4.5163     0.8009	H	1	noname	0.0459
20	H2     1.0102     5.8662    -1.1578	H	1	noname	0.0275
21	H3     1.1051     4.4123    -2.1802	H	1	noname	0.0275
22	H4     1.0098     2.6405    -2.2752	H	1	noname	0.0625
23	H5     1.8815     2.3872     1.7992	H	1	noname	0.0625
24	H6    -1.2504     4.9694    -1.6417	H	1	noname	0.0231
25	H7    -0.8787     4.8614     0.0957	H	1	noname	0.0231
26	H8    -0.7839     3.4075    -0.9268	H	1	noname	0.0231
27	H9     0.6517     0.2583    -2.3466	H	1	noname	0.0629
28	H10     1.5233     0.0050     1.7277	H	1	noname	0.0629
29	H11     1.2618    -1.7346     1.6755	H	1	noname	0.0629
30	H12     0.3902    -1.4814    -2.3988	H	1	noname	0.0629
31	H13     0.9037    -4.1168     1.6041	H	1	noname	0.0622
32	H14     0.0321    -3.8636    -2.4703	H	1	noname	0.0622
33	H15     5.0117     3.7421    -0.0541	H	1	noname	0.2213
34	H16     0.2888    -5.1813    -0.4688	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	12	1
2	1	33	1
3	2	12	2
4	3	4	1
5	3	5	1
6	3	12	1
7	3	19	1
8	4	6	2
9	4	7	1
10	5	9	1
11	5	20	1
12	5	21	1
13	6	10	1
14	6	22	1
15	7	11	2
16	7	23	1
17	8	10	2
18	8	11	1
19	8	13	1
20	9	24	1
21	9	25	1
22	9	26	1
23	10	27	1
24	11	28	1
25	13	14	2
26	13	15	1
27	14	16	1
28	14	29	1
29	15	17	2
30	15	30	1
31	16	18	2
32	16	31	1
33	17	18	1
34	17	32	1
35	18	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1