@<TRIPOS>MOLECULE
71587854
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.6058    -3.0902    -0.1699	O.3	1	noname	-0.3434
2	O2    -2.9699    -2.4640    -1.8447	O.3	1	noname	-0.3461
3	C1    -2.3020    -4.2798    -0.5629	C.3	1	noname	0.0817
4	C2    -3.1622    -3.8759    -1.7601	C.3	1	noname	0.0763
5	C3    -2.5552    -2.0814    -0.5261	C.3	1	noname	0.1774
6	C4    -1.2907    -5.3428    -0.9969	C.3	1	noname	-0.0363
7	C5    -1.8792    -0.8408    -0.5224	C.2	1	noname	-0.0359
8	C6    -1.4294    -0.3085     0.6206	C.2	1	noname	-0.0398
9	C7    -0.7450     0.8683     0.7141	C.2	1	noname	-0.0449
10	C8    -0.7937     1.5445     1.9721	C.2	1	noname	-0.0512
11	C9    -0.0434     1.4262    -0.4128	C.2	1	noname	-0.0512
12	C10    -0.1666     2.8333     2.1073	C.2	1	noname	-0.0590
13	C11     0.5886     2.7007    -0.2963	C.2	1	noname	-0.0590
14	C12     0.5050     3.3836     0.9624	C.2	1	noname	-0.0622
15	H1    -2.9542    -4.5941     0.2520	H	1	noname	0.0625
16	H2    -4.2092    -4.0877    -1.5432	H	1	noname	0.0594
17	H3    -2.8456    -4.3393    -2.6946	H	1	noname	0.0594
18	H4    -3.4121    -1.9612     0.1645	H	1	noname	0.0971
19	H5    -1.8202    -6.2474    -1.2957	H	1	noname	0.0257
20	H6    -0.7082    -4.9679    -1.8384	H	1	noname	0.0257
21	H7    -0.6233    -5.5702    -0.1656	H	1	noname	0.0257
22	H8    -1.7365    -0.3592    -1.3755	H	1	noname	0.0629
23	H9    -1.6060    -0.8048     1.4589	H	1	noname	0.0627
24	H10    -1.2687     1.1176     2.7674	H	1	noname	0.0628
25	H11     0.0019     0.9117    -1.2924	H	1	noname	0.0628
26	H12    -0.1981     3.3415     2.9911	H	1	noname	0.0622
27	H13     1.0855     3.1140    -1.0854	H	1	noname	0.0622
28	H14     0.9419     4.3013     1.0485	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	3	1
2	1	5	1
3	2	4	1
4	2	5	1
5	3	4	1
6	3	6	1
7	3	15	1
8	4	16	1
9	4	17	1
10	5	7	1
11	5	18	1
12	6	19	1
13	6	20	1
14	6	21	1
15	7	8	2
16	7	22	1
17	8	9	1
18	8	23	1
19	9	10	2
20	9	11	1
21	10	12	1
22	10	24	1
23	11	13	2
24	11	25	1
25	12	14	2
26	12	26	1
27	13	14	1
28	13	27	1
29	14	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1