@<TRIPOS>MOLECULE
72710758
26 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.3977    -1.0440    -1.1135	O.2	1	noname	-0.3049
2	O2     2.7470     1.0687     4.4214	O.2	1	noname	-0.3057
3	C1     0.0540    -0.1436    -0.4849	C.3	1	noname	-0.0342
4	C2     1.5609     0.2421    -0.2946	C.3	1	noname	0.0241
5	C3     1.5407     1.2005     0.9418	C.3	1	noname	-0.0038
6	C4    -0.6389     1.2131    -0.3015	C.3	1	noname	-0.0494
7	C5     0.1913     1.9497     0.7689	C.3	1	noname	-0.0453
8	C6    -0.3557    -0.7824    -1.8321	C.3	1	noname	-0.0618
9	C7     1.7425     0.6672     2.3360	C.2	1	noname	0.0136
10	C8     2.5703    -0.8447    -0.1981	C.2	1	noname	0.1256
11	C9     2.4588     1.4483     3.2584	C.2	1	noname	0.0887
12	C10     1.2537    -0.5282     2.7312	C.2	1	noname	-0.0530
13	H1    -0.3133    -0.7983     0.2998	H	1	noname	0.0307
14	H2     1.8981     0.8178    -1.1808	H	1	noname	0.0388
15	H3     2.3154     1.9509     0.7321	H	1	noname	0.0360
16	H4    -1.6521     1.0565     0.0687	H	1	noname	0.0270
17	H5    -0.5871     1.7691    -1.2376	H	1	noname	0.0270
18	H6    -0.3502     1.9459     1.7149	H	1	noname	0.0273
19	H7     0.3418     2.9753     0.4320	H	1	noname	0.0273
20	H8    -1.4244    -0.9964    -1.8226	H	1	noname	0.0233
21	H9    -0.1306    -0.0919    -2.6449	H	1	noname	0.0233
22	H10     0.1992    -1.7091    -1.9784	H	1	noname	0.0233
23	H11     2.6990    -1.3986     0.6359	H	1	noname	0.1044
24	H12     2.7996     2.3754     3.0018	H	1	noname	0.1094
25	H13     1.3859    -0.8698     3.6551	H	1	noname	0.0542
26	H14     0.7750    -1.1229     2.1073	H	1	noname	0.0542
@<TRIPOS>BOND
1	1	10	2
2	2	11	2
3	3	4	1
4	3	6	1
5	3	8	1
6	3	13	1
7	4	5	1
8	4	10	1
9	4	14	1
10	5	7	1
11	5	9	1
12	5	15	1
13	6	7	1
14	6	16	1
15	6	17	1
16	7	18	1
17	7	19	1
18	8	20	1
19	8	21	1
20	8	22	1
21	9	11	1
22	9	12	2
23	10	23	1
24	11	24	1
25	12	25	1
26	12	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1