@<TRIPOS>MOLECULE
91800225
38 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.6324     3.2757    -1.1146	O.3	1	noname	-0.1824
2	O2    -3.6996     4.4332     0.9897	O.3	1	noname	-0.3853
3	O3     1.6300     4.6162     0.7685	O.3	1	noname	-0.3666
4	O4     0.1557     1.4807    -1.5949	O.2	1	noname	-0.2490
5	O5     0.2800     7.8296    -0.9746	O.2	1	noname	-0.3043
6	C1    -0.7525     3.7810    -1.3856	C.3	1	noname	0.0780
7	C2    -0.0236     5.0771    -0.9884	C.3	1	noname	0.0661
8	C3    -0.5830     4.9147    -2.4088	C.3	1	noname	-0.0209
9	C4    -2.1696     3.5845    -0.7420	C.3	1	noname	0.0079
10	C5    -2.3285     4.2944     0.6257	C.3	1	noname	0.0880
11	C6     1.4042     4.6009    -0.6388	C.3	1	noname	0.1743
12	C7    -2.5333     2.1330    -0.3906	C.3	1	noname	-0.0410
13	C8    -0.6904     5.9978    -0.0721	C.2	1	noname	0.0331
14	C9     0.3540     2.6970    -1.3858	C.2	1	noname	0.1529
15	C10    -1.9503     1.9005     1.0143	C.3	1	noname	-0.0319
16	C11    -1.7044     3.2994     1.6095	C.3	1	noname	-0.0150
17	C12    -1.7253     5.6164     0.6802	C.2	1	noname	-0.0183
18	C13    -2.9723     1.1532     1.8733	C.3	1	noname	-0.0598
19	C14    -0.6209     1.1442     0.9769	C.3	1	noname	-0.0598
20	C15    -0.2449     7.2796     0.0176	C.2	1	noname	0.0952
21	H1    -1.5181     5.4678    -2.4965	H	1	noname	0.0289
22	H2     0.1693     4.7269    -3.1749	H	1	noname	0.0289
23	H3    -2.8697     4.0917    -1.4058	H	1	noname	0.0347
24	H4     2.1338     5.2490    -1.1126	H	1	noname	0.0935
25	H5    -3.6177     2.0283    -0.3558	H	1	noname	0.0276
26	H6    -2.1599     1.4177    -1.1234	H	1	noname	0.0276
27	H7    -2.2073     3.3777     2.5734	H	1	noname	0.0305
28	H8    -0.6302     3.4779     1.6563	H	1	noname	0.0305
29	H9    -2.1056     6.2744     1.3145	H	1	noname	0.0610
30	H10    -2.5594     0.9886     2.8686	H	1	noname	0.0236
31	H11    -3.8838     1.7459     1.9517	H	1	noname	0.0236
32	H12    -3.2019     0.1929     1.4118	H	1	noname	0.0236
33	H13    -0.2525     1.0063     1.9935	H	1	noname	0.0236
34	H14    -0.7696     0.1709     0.5092	H	1	noname	0.0236
35	H15     0.1067     1.7165     0.4013	H	1	noname	0.0236
36	H16    -4.1659     4.9636     0.3102	H	1	noname	0.2113
37	H17    -0.3390     7.7921     0.8944	H	1	noname	0.1094
38	H18     2.5538     4.3470     0.9540	H	1	noname	0.2133
@<TRIPOS>BOND
1	1	11	1
2	1	14	1
3	10	2	1
4	2	36	1
5	11	3	1
6	3	38	1
7	4	14	2
8	5	20	2
9	6	7	1
10	6	8	1
11	6	9	1
12	6	14	1
13	7	8	1
14	7	11	1
15	7	13	1
16	8	21	1
17	8	22	1
18	9	10	1
19	9	12	1
20	9	23	1
21	10	16	1
22	10	17	1
23	11	24	1
24	12	15	1
25	12	25	1
26	12	26	1
27	13	17	2
28	13	20	1
29	15	16	1
30	15	18	1
31	15	19	1
32	16	27	1
33	16	28	1
34	17	29	1
35	18	30	1
36	18	31	1
37	18	32	1
38	19	33	1
39	19	34	1
40	19	35	1
41	20	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1