@<TRIPOS>MOLECULE
76956721
36 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.1618     1.0966    -0.3132	O.3	1	noname	-0.1993
2	O2     1.1099    -2.3721    -1.1667	O.2	1	noname	-0.2961
3	O3    -3.0377     3.7633    -0.0946	O.3	1	noname	-0.3934
4	O4    -5.6763     0.5895     0.5202	O.3	1	noname	-0.3934
5	O5    -1.6900    -0.4098     1.2488	O.2	1	noname	-0.2511
6	C1     1.2505    -0.8955     2.0041	C.3	1	noname	-0.0464
7	C2     1.5159    -1.4362     3.4106	C.3	1	noname	-0.0531
8	C3     0.7826    -2.0450     1.0920	C.3	1	noname	0.0066
9	C4     1.9807    -0.2943     4.3167	C.3	1	noname	-0.0561
10	C5     0.4747    -1.7155    -0.3179	C.2	1	noname	0.1396
11	C6    -0.5326    -0.7124    -0.8105	C.3	1	noname	0.0924
12	C7    -3.4272     1.4105     0.2495	C.3	1	noname	0.1133
13	C8     2.2461    -0.8350     5.7231	C.3	1	noname	-0.0654
14	C9    -1.5036    -0.0157     0.0821	C.2	1	noname	0.1459
15	C10    -3.9506     2.7099    -0.3656	C.3	1	noname	0.0724
16	C11    -4.4109     0.2756    -0.0425	C.3	1	noname	0.0724
17	H1     0.4763    -0.1295     2.0494	H	1	noname	0.0271
18	H2     2.1667    -0.4627     1.6023	H	1	noname	0.0271
19	H3     0.5997    -1.8689     3.8123	H	1	noname	0.0266
20	H4     2.2901    -2.2021     3.3653	H	1	noname	0.0266
21	H5    -0.0754    -2.5419     1.5447	H	1	noname	0.0346
22	H6     1.5676    -2.8009     1.0674	H	1	noname	0.0346
23	H7     1.2065     0.4717     4.3620	H	1	noname	0.0264
24	H8     2.8969     0.1384     3.9149	H	1	noname	0.0264
25	H9    -3.3248     1.5342     1.3276	H	1	noname	0.0658
26	H10    -1.0598    -1.1204    -1.6728	H	1	noname	0.0453
27	H11     0.0174     0.0574    -1.3518	H	1	noname	0.0453
28	H12     2.5772    -0.0215     6.3686	H	1	noname	0.0230
29	H13     1.3299    -1.2678     6.1249	H	1	noname	0.0230
30	H14     3.0202    -1.6010     5.6778	H	1	noname	0.0230
31	H15    -4.9220     2.9509     0.0663	H	1	noname	0.0591
32	H16    -4.0530     2.5862    -1.4437	H	1	noname	0.0591
33	H17    -4.5132     0.1518    -1.1206	H	1	noname	0.0591
34	H18    -4.0380    -0.6502     0.3957	H	1	noname	0.0591
35	H19    -3.3729     4.5956    -0.4886	H	1	noname	0.2101
36	H20    -6.3063    -0.1375     0.3332	H	1	noname	0.2101
@<TRIPOS>BOND
1	1	12	1
2	1	14	1
3	2	10	2
4	3	15	1
5	3	35	1
6	4	16	1
7	4	36	1
8	5	14	2
9	6	7	1
10	6	8	1
11	6	17	1
12	6	18	1
13	7	9	1
14	7	19	1
15	7	20	1
16	8	10	1
17	8	21	1
18	8	22	1
19	9	13	1
20	9	23	1
21	9	24	1
22	10	11	1
23	11	14	1
24	11	26	1
25	11	27	1
26	12	15	1
27	12	16	1
28	12	25	1
29	13	28	1
30	13	29	1
31	13	30	1
32	15	31	1
33	15	32	1
34	16	33	1
35	16	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1