@<TRIPOS>MOLECULE
119025979
26 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.2000     5.0243     2.0406	O.3	1	noname	-0.3870
2	O2     1.3346     4.8390     3.0973	O.3	1	noname	-0.3710
3	O3    -1.0562     3.4747    -0.2978	O.3	1	noname	-0.3878
4	O4    -1.4331     0.4857     0.0122	O.3	1	noname	-0.3817
5	O5     2.7147     2.2780     1.8400	O.2	1	noname	-0.2943
6	C1    -0.6361     3.7238     2.1032	C.3	1	noname	0.1151
7	C2    -1.2949     2.8618     0.9629	C.3	1	noname	0.1062
8	C3     0.9322     3.8623     2.1060	C.3	1	noname	0.1407
9	C4    -0.7761     1.3950     0.9309	C.3	1	noname	0.0750
10	C5     1.6160     2.5711     2.3765	C.2	1	noname	0.1453
11	C6     2.7022     5.2588     3.0468	C.3	1	noname	0.0367
12	C7    -0.8220    -0.8276     0.0261	C.3	1	noname	0.0357
13	H1    -0.9364     3.3316     3.0749	H	1	noname	0.0660
14	H2    -2.3806     2.8623     1.1072	H	1	noname	0.0653
15	H3     1.2240     4.2163     1.0996	H	1	noname	0.0711
16	H4    -0.8715     1.0053     1.9544	H	1	noname	0.0594
17	H5     0.2679     1.4571     0.6134	H	1	noname	0.0594
18	H6     1.1538     1.8755     2.9828	H	1	noname	0.1071
19	H7    -2.1693     4.9668     2.1733	H	1	noname	0.2107
20	H8    -1.4673     2.9362    -1.0059	H	1	noname	0.2106
21	H9     2.8874     5.9893     3.8343	H	1	noname	0.0529
22	H10     2.9080     5.7107     2.0764	H	1	noname	0.0529
23	H11     3.3526     4.3961     3.1911	H	1	noname	0.0529
24	H12    -1.3435    -1.4785    -0.6756	H	1	noname	0.0529
25	H13    -0.8876    -1.2483     1.0295	H	1	noname	0.0529
26	H14     0.2251    -0.7442    -0.2652	H	1	noname	0.0529
@<TRIPOS>BOND
1	6	1	1
2	1	19	1
3	8	2	1
4	2	11	1
5	7	3	1
6	3	20	1
7	4	9	1
8	4	12	1
9	5	10	2
10	6	7	1
11	6	8	1
12	6	13	1
13	7	9	1
14	7	14	1
15	8	10	1
16	8	15	1
17	9	16	1
18	9	17	1
19	10	18	1
20	11	21	1
21	11	22	1
22	11	23	1
23	12	24	1
24	12	25	1
25	12	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1