@<TRIPOS>MOLECULE
71587452
26 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.8788     1.1851     0.0470	O.3	1	noname	-0.3472
2	O2    -0.0082    -0.0671    -0.0616	O.3	1	noname	-0.3498
3	C1     1.3276     0.0048    -0.5167	C.3	1	noname	0.1581
4	C2     2.1046    -1.2126    -0.0117	C.3	1	noname	0.0007
5	C3     1.5104    -2.4849    -0.6194	C.3	1	noname	-0.0423
6	C4     0.9087     2.1469    -0.3037	C.3	1	noname	0.0814
7	C5    -0.3602     1.3104    -0.1579	C.3	1	noname	0.0759
8	C6     2.2874    -3.7023    -0.1144	C.3	1	noname	-0.0626
9	C7     1.6071    -2.4149    -2.1447	C.3	1	noname	-0.0626
10	C8     1.0916     2.5449    -1.7696	C.3	1	noname	-0.0363
11	H1     1.3228     0.1044    -1.6022	H	1	noname	0.0922
12	H2     2.0357    -1.2625     1.0749	H	1	noname	0.0321
13	H3     3.1504    -1.1237    -0.3058	H	1	noname	0.0321
14	H4     0.4646    -2.5738    -0.3253	H	1	noname	0.0299
15	H5     0.9252     3.0430     0.3168	H	1	noname	0.0625
16	H6    -0.9977     1.4624    -1.0289	H	1	noname	0.0594
17	H7    -0.9078     1.5771     0.7460	H	1	noname	0.0594
18	H8     1.1838    -3.3212    -2.5776	H	1	noname	0.0233
19	H9     1.0536    -1.5476    -2.5045	H	1	noname	0.0233
20	H10     2.6530    -2.3259    -2.4387	H	1	noname	0.0233
21	H11     1.8641    -4.6086    -0.5473	H	1	noname	0.0233
22	H12     2.2185    -3.7521     0.9723	H	1	noname	0.0233
23	H13     3.3333    -3.6134    -0.4084	H	1	noname	0.0233
24	H14     0.3419     3.2882    -2.0406	H	1	noname	0.0257
25	H15     0.9758     1.6648    -2.4022	H	1	noname	0.0257
26	H16     2.0874     2.9651    -1.9105	H	1	noname	0.0257
@<TRIPOS>BOND
1	1	3	1
2	1	6	1
3	2	3	1
4	2	7	1
5	3	4	1
6	3	11	1
7	4	5	1
8	4	12	1
9	4	13	1
10	5	8	1
11	5	9	1
12	5	14	1
13	6	7	1
14	6	10	1
15	6	15	1
16	7	16	1
17	7	17	1
18	8	21	1
19	8	22	1
20	8	23	1
21	9	18	1
22	9	19	1
23	9	20	1
24	10	24	1
25	10	25	1
26	10	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1