@<TRIPOS>MOLECULE
70957997
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.9393    -0.7051    -1.0202	O.3	1	noname	-0.2662
2	O2     0.9189     1.7061     2.3526	O.3	1	noname	-0.1490
3	O3    -0.0380    -2.5232     2.4502	O.2	1	noname	-0.2851
4	O4    -0.0801     0.0663     3.6093	O.2	1	noname	-0.2455
5	C1     0.1866    -1.9656    -1.0097	C.3	1	noname	0.0687
6	C2    -0.8486    -2.0910     0.1372	C.3	1	noname	0.0377
7	C3     0.4403    -0.4049     1.3878	C.2	1	noname	0.1392
8	C4    -0.1261    -1.7587     1.4651	C.2	1	noname	0.1537
9	C5     0.9880     0.0717     0.1502	C.2	1	noname	0.0396
10	C6     1.1629    -3.1419    -0.9464	C.3	1	noname	-0.0377
11	C7     1.5227     1.3930     0.0335	C.2	1	noname	0.0352
12	C8     0.4003     0.4435     2.5187	C.2	1	noname	0.1469
13	C9     1.4719     2.1986     1.1954	C.2	1	noname	0.0068
14	C10     1.9714     3.4632     1.1668	C.2	1	noname	-0.0227
15	C11     2.4789     4.0029     2.2713	C.2	1	noname	-0.0605
16	C12     3.0042     5.3326     2.2412	C.3	1	noname	-0.0466
17	H1    -0.3176    -2.0935    -1.9675	H	1	noname	0.0610
18	H2    -1.6578    -1.3787    -0.0242	H	1	noname	0.0377
19	H3    -1.2803    -3.0917     0.1510	H	1	noname	0.0377
20	H4     0.6041    -4.0778    -0.9386	H	1	noname	0.0257
21	H5     1.7617    -3.0687    -0.0386	H	1	noname	0.0257
22	H6     1.8183    -3.1174    -1.8170	H	1	noname	0.0257
23	H7     1.9196     1.7364    -0.8411	H	1	noname	0.0678
24	H8     1.9574     3.9820     0.3237	H	1	noname	0.0646
25	H9     2.4929     3.4842     3.1144	H	1	noname	0.0573
26	H10     2.4526     5.9572     2.9439	H	1	noname	0.0273
27	H11     2.9028     5.7406     1.2355	H	1	noname	0.0273
28	H12     4.0574     5.3136     2.5212	H	1	noname	0.0273
@<TRIPOS>BOND
1	1	5	1
2	1	9	1
3	2	12	1
4	2	13	1
5	3	8	2
6	4	12	2
7	5	6	1
8	5	10	1
9	5	17	1
10	6	8	1
11	6	18	1
12	6	19	1
13	7	8	1
14	7	9	2
15	7	12	1
16	9	11	1
17	10	20	1
18	10	21	1
19	10	22	1
20	11	13	2
21	11	23	1
22	13	14	1
23	14	15	2
24	14	24	1
25	15	16	1
26	15	25	1
27	16	26	1
28	16	27	1
29	16	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1