@<TRIPOS>MOLECULE
102421338
35 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.5766    -0.9498     4.2373	O.3	1	noname	-0.3706
2	O2    -1.4942    -1.4799     0.7948	O.3	1	noname	-0.2057
3	O3    -3.5780    -4.4354     4.6253	O.3	1	noname	-0.3936
4	O4    -3.0685    -2.1106    -0.6871	O.2	1	noname	-0.2583
5	C1    -1.6547    -1.1548     3.1768	C.3	1	noname	0.0792
6	C2    -3.4722    -2.0497     4.3051	C.3	1	noname	0.0783
7	C3    -2.4161    -1.2748     1.8552	C.3	1	noname	0.0827
8	C4    -0.6897     0.0303     3.1037	C.3	1	noname	-0.0364
9	C5    -2.6824    -3.3356     4.5574	C.3	1	noname	0.0692
10	C6    -4.4655    -1.8288     5.4477	C.3	1	noname	-0.0364
11	C7    -1.9414    -1.6149    -0.4718	C.2	1	noname	0.0877
12	C8    -1.1485    -1.2028    -1.5365	C.2	1	noname	-0.0033
13	C9    -1.7408    -0.7473    -2.7086	C.2	1	noname	-0.0060
14	C10     0.2366    -1.2461    -1.4291	C.2	1	noname	-0.0060
15	C11    -0.9479    -0.3351    -3.7733	C.2	1	noname	-0.0428
16	C12     1.0295    -0.8339    -2.4938	C.2	1	noname	-0.0428
17	C13     0.4372    -0.3785    -3.6659	C.2	1	noname	-0.0355
18	H1    -1.0921    -2.0709     3.3565	H	1	noname	0.0624
19	H2    -4.0146    -2.1352     3.3636	H	1	noname	0.0624
20	H3    -3.1035    -2.1191     1.9073	H	1	noname	0.0600
21	H4    -2.9787    -0.3587     1.6755	H	1	noname	0.0600
22	H5     0.0179    -0.1271     2.2897	H	1	noname	0.0257
23	H6    -1.2523     0.9464     2.9240	H	1	noname	0.0257
24	H7    -0.1473     0.1158     4.0453	H	1	noname	0.0257
25	H8    -2.1400    -3.2501     5.4990	H	1	noname	0.0590
26	H9    -1.9748    -3.4930     3.7434	H	1	noname	0.0590
27	H10    -5.1529    -2.6730     5.4998	H	1	noname	0.0257
28	H11    -5.0281    -0.9126     5.2680	H	1	noname	0.0257
29	H12    -3.9230    -1.7432     6.3893	H	1	noname	0.0257
30	H13    -3.0722    -5.2591     4.7868	H	1	noname	0.2101
31	H14    -2.7573    -0.7155    -2.7874	H	1	noname	0.0631
32	H15     0.6713    -1.5803    -0.5690	H	1	noname	0.0631
33	H16    -1.3825    -0.0009    -4.6334	H	1	noname	0.0622
34	H17     2.0460    -0.8657    -2.4149	H	1	noname	0.0622
35	H18     1.0191    -0.0760    -4.4472	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	5	1
2	1	6	1
3	2	7	1
4	2	11	1
5	3	9	1
6	3	30	1
7	4	11	2
8	5	7	1
9	5	8	1
10	5	18	1
11	6	9	1
12	6	10	1
13	6	19	1
14	7	20	1
15	7	21	1
16	8	22	1
17	8	23	1
18	8	24	1
19	9	25	1
20	9	26	1
21	10	27	1
22	10	28	1
23	10	29	1
24	11	12	1
25	12	13	2
26	12	14	1
27	13	15	1
28	13	31	1
29	14	16	2
30	14	32	1
31	15	17	2
32	15	33	1
33	16	17	1
34	16	34	1
35	17	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1