@<TRIPOS>MOLECULE
70959503
34 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.4591    -0.8357    -1.0992	O.3	1	noname	-0.2640
2	O2    -1.5531    -1.1487    -1.2102	O.3	1	noname	-0.1977
3	O3     0.3546     1.8974     1.8164	O.3	1	noname	-0.1488
4	O4    -0.7914    -2.2844     1.9242	O.2	1	noname	-0.2755
5	O5    -1.1124     0.4074     2.7619	O.2	1	noname	-0.2451
6	O6    -3.5737    -0.1635    -1.3492	O.2	1	noname	-0.2544
7	C1     0.6886    -2.0758    -1.2536	C.3	1	noname	0.0958
8	C2    -0.6943    -2.0693    -0.5533	C.3	1	noname	0.1566
9	C3    -0.4803    -1.6198     0.9122	C.2	1	noname	0.1669
10	C4     0.1454    -0.2902     0.9292	C.2	1	noname	0.1464
11	C5     1.1247     0.0521    -0.0621	C.2	1	noname	0.0424
12	C6     1.5147    -3.2568    -0.7401	C.3	1	noname	-0.0351
13	C7     1.7334     1.3460    -0.0905	C.2	1	noname	0.0357
14	C8    -0.2537     0.6666     1.8912	C.2	1	noname	0.1491
15	C9     1.3107     2.2633     0.9003	C.2	1	noname	0.0069
16	C10    -2.8177    -0.9738    -0.7710	C.2	1	noname	0.1422
17	C11     1.8521     3.5101     0.9458	C.2	1	noname	-0.0227
18	C12    -3.3023    -1.7312     0.3793	C.3	1	noname	0.0221
19	C13     1.9566     4.1477     2.1083	C.2	1	noname	-0.0605
20	C14     2.5258     5.4586     2.1562	C.3	1	noname	-0.0466
21	H1     0.5503    -2.2498    -2.3207	H	1	noname	0.0638
22	H2    -1.1516    -3.0571    -0.6108	H	1	noname	0.0725
23	H3     0.9426    -4.1775    -0.8547	H	1	noname	0.0258
24	H4     1.7507    -3.1044     0.3131	H	1	noname	0.0258
25	H5     2.4392    -3.3298    -1.3128	H	1	noname	0.0258
26	H6     2.4350     1.5943    -0.7880	H	1	noname	0.0678
27	H7     2.1685     3.9431     0.1136	H	1	noname	0.0646
28	H8    -4.1584    -2.3364     0.0813	H	1	noname	0.0336
29	H9    -3.6019    -1.0415     1.1684	H	1	noname	0.0336
30	H10    -2.5083    -2.3812     0.7470	H	1	noname	0.0336
31	H11     1.6402     3.7147     2.9405	H	1	noname	0.0573
32	H12     1.7920     6.1590     2.5550	H	1	noname	0.0273
33	H13     2.8135     5.7667     1.1511	H	1	noname	0.0273
34	H14     3.4059     5.4493     2.7992	H	1	noname	0.0273
@<TRIPOS>BOND
1	1	7	1
2	1	11	1
3	8	2	1
4	2	16	1
5	3	14	1
6	3	15	1
7	4	9	2
8	5	14	2
9	6	16	2
10	7	8	1
11	7	12	1
12	7	21	1
13	8	9	1
14	8	22	1
15	9	10	1
16	10	11	2
17	10	14	1
18	11	13	1
19	12	23	1
20	12	24	1
21	12	25	1
22	13	15	2
23	13	26	1
24	15	17	1
25	16	18	1
26	17	19	2
27	17	27	1
28	18	28	1
29	18	29	1
30	18	30	1
31	19	20	1
32	19	31	1
33	20	32	1
34	20	33	1
35	20	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1