@<TRIPOS>MOLECULE
91618089
39 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.4892     3.0604    -3.0962	O.2	1	noname	-0.2953
2	O2     4.1439     1.3529    -2.0764	O.2	1	noname	-0.2981
3	O3    -1.9813     1.0572    -5.4951	O.3	1	noname	-0.2178
4	O4    -2.7990     1.3736    -3.4205	O.2	1	noname	-0.2546
5	C1     0.4413     0.9657    -0.2053	C.3	1	noname	-0.0179
6	C2    -0.5086     0.6873    -2.1696	C.3	1	noname	0.0449
7	C3     0.6522     0.0035    -1.3981	C.3	1	noname	-0.0150
8	C4     0.6632     2.3581    -0.9222	C.3	1	noname	0.0333
9	C5    -1.0423     0.7068     0.1764	C.3	1	noname	-0.0458
10	C6    -1.6977     0.4513    -1.1984	C.3	1	noname	-0.0390
11	C7    -0.1765     2.2065    -2.2385	C.2	1	noname	0.1409
12	C8     2.0771     0.0276    -2.0897	C.3	1	noname	0.0107
13	C9     2.1672     2.5981    -1.3033	C.3	1	noname	0.0250
14	C10    -0.8012     0.1467    -3.5707	C.3	1	noname	0.0549
15	C11     1.2704     0.6435     1.0649	C.3	1	noname	-0.0586
16	C12     2.9155     1.3270    -1.8461	C.2	1	noname	0.1353
17	C13     2.2584     3.7234    -2.3359	C.3	1	noname	-0.0548
18	C14    -1.1719    -1.3349    -3.4785	C.3	1	noname	-0.0521
19	C15    -1.9121     0.8907    -4.1572	C.2	1	noname	0.1368
20	H1     0.3983    -1.0338    -1.1802	H	1	noname	0.0323
21	H2     0.3129     3.2346    -0.3771	H	1	noname	0.0396
22	H3    -1.4662     1.6082     0.6191	H	1	noname	0.0273
23	H4    -1.1838    -0.1649     0.8153	H	1	noname	0.0273
24	H5    -2.4682     1.2010    -1.3785	H	1	noname	0.0277
25	H6    -2.0341    -0.5833    -1.2648	H	1	noname	0.0277
26	H7     1.9636    -0.1360    -3.1614	H	1	noname	0.0350
27	H8     2.6911    -0.7972    -1.7281	H	1	noname	0.0350
28	H9     2.7159     2.9149    -0.4163	H	1	noname	0.0387
29	H10     0.0837     0.2615    -4.1966	H	1	noname	0.0416
30	H11     1.0482     1.3774     1.8396	H	1	noname	0.0236
31	H12     1.0128    -0.3529     1.4238	H	1	noname	0.0236
32	H13     2.3328     0.6797     0.8242	H	1	noname	0.0236
33	H14     3.3026     3.8900    -2.6005	H	1	noname	0.0238
34	H15     1.6977     3.4442    -3.2279	H	1	noname	0.0238
35	H16     1.8399     4.6376    -1.9150	H	1	noname	0.0238
36	H17    -1.3804    -1.7200    -4.4766	H	1	noname	0.0239
37	H18    -2.0569    -1.4497    -2.8526	H	1	noname	0.0239
38	H19    -0.3426    -1.8904    -3.0406	H	1	noname	0.0239
39	H20    -2.4073     1.8572    -5.8679	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	11	2
2	2	16	2
3	3	19	1
4	3	39	1
5	4	19	2
6	5	7	1
7	5	8	1
8	5	9	1
9	5	15	1
10	6	7	1
11	6	10	1
12	6	11	1
13	6	14	1
14	7	12	1
15	7	20	1
16	8	11	1
17	8	13	1
18	8	21	1
19	9	10	1
20	9	22	1
21	9	23	1
22	10	24	1
23	10	25	1
24	12	16	1
25	12	26	1
26	12	27	1
27	13	16	1
28	13	17	1
29	13	28	1
30	14	18	1
31	14	19	1
32	14	29	1
33	15	30	1
34	15	31	1
35	15	32	1
36	17	33	1
37	17	34	1
38	17	35	1
39	18	36	1
40	18	37	1
41	18	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1