@<TRIPOS>MOLECULE
76956772
36 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.1730    -1.7623     3.3340	O.3	1	noname	-0.1991
2	O2    -3.9868    -2.2289     3.5848	O.3	1	noname	-0.3871
3	O3    -4.8211    -4.6673     4.7848	O.3	1	noname	-0.3871
4	O4    -2.6606    -6.2961     4.9152	O.3	1	noname	-0.3861
5	O5    -0.7895    -0.0847     1.9716	O.2	1	noname	-0.2533
6	O6     1.0769    -2.0326     4.9895	O.2	1	noname	-0.3025
7	C1    -3.0592    -3.2468     3.9649	C.3	1	noname	0.1139
8	C2    -3.6000    -4.0525     5.1797	C.3	1	noname	0.1123
9	C3    -1.6917    -2.6370     4.3549	C.3	1	noname	0.1237
10	C4    -2.5228    -5.0839     5.6546	C.3	1	noname	0.1015
11	C5    -0.6906    -3.5564     4.9219	C.2	1	noname	0.0416
12	C6    -1.1181    -4.6759     5.5531	C.2	1	noname	-0.0115
13	C7    -2.8700     0.4186     5.0705	C.3	1	noname	-0.0378
14	C8    -2.1581     0.6565     3.6954	C.3	1	noname	0.0360
15	C9    -1.3912    -0.4367     3.0170	C.2	1	noname	0.1431
16	C10     0.6734    -3.2226     4.9519	C.2	1	noname	0.1008
17	C11    -3.6717     1.6871     5.4581	C.3	1	noname	-0.0623
18	C12    -1.8794     0.2100     6.2587	C.3	1	noname	-0.0623
19	H1    -2.8970    -3.8831     3.0942	H	1	noname	0.0660
20	H2    -3.8260    -3.3598     6.0074	H	1	noname	0.0659
21	H3    -1.9716    -2.1068     5.2295	H	1	noname	0.0691
22	H4    -2.7331    -5.3033     6.7035	H	1	noname	0.0674
23	H5    -0.4507    -5.2739     5.9928	H	1	noname	0.0608
24	H6    -3.6283    -0.3776     4.9783	H	1	noname	0.0302
25	H7    -2.8899     1.0190     2.9585	H	1	noname	0.0375
26	H8    -1.4323     1.4605     3.8597	H	1	noname	0.0375
27	H9    -4.8202    -2.6774     3.3587	H	1	noname	0.2107
28	H10    -5.1169    -5.1736     5.5656	H	1	noname	0.2107
29	H11     1.3889    -3.9547     4.9652	H	1	noname	0.1095
30	H12    -2.5053    -6.0489     3.9780	H	1	noname	0.2110
31	H13    -2.4350    -0.1718     7.1253	H	1	noname	0.0233
32	H14    -4.1814     1.5485     6.4142	H	1	noname	0.0233
33	H15    -1.0751    -0.4977     6.0145	H	1	noname	0.0233
34	H16    -4.4066     1.9035     4.6827	H	1	noname	0.0233
35	H17    -1.4071     1.1636     6.4945	H	1	noname	0.0233
36	H18    -2.9832     2.5268     5.5524	H	1	noname	0.0233
@<TRIPOS>BOND
1	9	1	1
2	1	15	1
3	7	2	1
4	2	27	1
5	8	3	1
6	3	28	1
7	10	4	1
8	4	30	1
9	5	15	2
10	6	16	2
11	7	8	1
12	7	9	1
13	7	19	1
14	8	10	1
15	8	20	1
16	9	11	1
17	9	21	1
18	10	12	1
19	10	22	1
20	11	12	2
21	11	16	1
22	12	23	1
23	13	14	1
24	13	17	1
25	13	18	1
26	13	24	1
27	14	15	1
28	14	25	1
29	14	26	1
30	16	29	1
31	17	32	1
32	17	34	1
33	17	36	1
34	18	31	1
35	18	33	1
36	18	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1