@<TRIPOS>MOLECULE
71587990
35 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.5955    -0.9049     2.7112	O.3	1	noname	-0.2011
2	O2     3.5149     0.5252    -2.5855	O.3	1	noname	-0.2631
3	O3     1.2450    -0.7964    -3.3657	O.3	1	noname	-0.2735
4	O4    -1.3949     0.2196     4.2496	O.2	1	noname	-0.2487
5	O5     3.3592     2.4223     0.7883	O.3	1	noname	-0.2238
6	O6     4.4075     0.7823     0.3994	O.2	1	noname	-0.2543
7	N1     3.6578     1.5412    -0.0688	N.2	1	noname	-0.1965
8	N2     1.8189     0.0116     3.0583	N.1	1	noname	-0.1762
9	C1     0.3651     0.0973     0.0513	C.2	1	noname	-0.0337
10	C2    -4.5758    -2.2515     2.9774	C.3	1	noname	-0.0318
11	C3    -3.3725    -1.6079     3.6695	C.3	1	noname	0.0565
12	C4     1.5166     0.7677     0.4470	C.2	1	noname	-0.0021
13	C5     2.5767     0.9118    -0.4404	C.2	1	noname	0.0513
14	C6     0.2737    -0.4291    -1.2319	C.2	1	noname	-0.0136
15	C7     2.4853     0.3853    -1.7236	C.2	1	noname	0.0683
16	C8     1.3338    -0.2851    -2.1194	C.2	1	noname	0.0384
17	C9    -0.6721    -0.0437     0.9196	C.2	1	noname	0.0268
18	C10    -5.4130    -3.0089     4.0099	C.3	1	noname	-0.0632
19	C11    -0.4399    -0.1128     2.2273	C.2	1	noname	0.1035
20	C12    -1.4771    -0.2537     3.0956	C.2	1	noname	0.1249
21	C13     0.7429    -0.0477     2.6625	C.1	1	noname	0.1002
22	H1    -5.1855    -1.4763     2.5133	H	1	noname	0.0287
23	H2    -4.2267    -2.9455     2.2129	H	1	noname	0.0287
24	H3    -3.7216    -0.9138     4.4341	H	1	noname	0.0573
25	H4    -2.7628    -2.3831     4.1336	H	1	noname	0.0573
26	H5     1.5837     1.1540     1.3887	H	1	noname	0.0663
27	H6    -0.5713    -0.9211    -1.5224	H	1	noname	0.0657
28	H7    -1.6000    -0.0948     0.5782	H	1	noname	0.0644
29	H8    -6.2702    -3.4674     3.5169	H	1	noname	0.0231
30	H9    -5.7621    -2.3149     4.7745	H	1	noname	0.0231
31	H10    -4.8033    -3.7842     4.4740	H	1	noname	0.0231
32	H11     3.2870     0.0998    -3.4384	H	1	noname	0.2184
33	H12     0.3747    -1.2326    -3.4786	H	1	noname	0.2183
34	H13     4.1711     2.8950     1.0673	H	1	noname	0.2597
35	H14     4.0514     1.9500    -0.8119	H	1	noname	0.2776
@<TRIPOS>BOND
1	1	11	1
2	1	20	1
3	2	15	1
4	2	32	1
5	3	16	1
6	3	33	1
7	4	20	2
8	5	7	1
9	5	34	1
10	6	7	2
11	7	13	1
12	7	35	1
13	8	21	3
14	9	12	2
15	9	14	1
16	9	17	1
17	10	11	1
18	10	18	1
19	10	22	1
20	10	23	1
21	11	24	1
22	11	25	1
23	12	13	1
24	12	26	1
25	13	15	2
26	14	16	2
27	14	27	1
28	15	16	1
29	17	19	2
30	17	28	1
31	18	29	1
32	18	30	1
33	18	31	1
34	19	20	1
35	19	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1