@<TRIPOS>MOLECULE
69417675
28 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.8158     1.6331    -2.6541	O.3	1	noname	-0.2674
2	O2     0.2803     3.8463    -2.1525	O.3	1	noname	-0.2760
3	O3     1.1386    -1.6919     2.0384	O.3	1	noname	-0.2139
4	O4     1.1023    -1.2242    -0.1644	O.2	1	noname	-0.2495
5	N1    -1.4516    -2.8171     1.2921	N.3	1	noname	-0.3191
6	C1    -1.4897    -1.2065    -0.5448	C.3	1	noname	-0.0029
7	C2    -0.9886    -1.4956     0.8716	C.3	1	noname	0.0953
8	C3    -1.0274     0.1132    -0.9647	C.2	1	noname	-0.0570
9	C4     0.1917     0.2469    -1.6189	C.2	1	noname	-0.0181
10	C5    -1.8064     1.2360    -0.7102	C.2	1	noname	-0.0592
11	C6     0.6318     1.5033    -2.0187	C.2	1	noname	0.0246
12	C7    -1.3663     2.4924    -1.1100	C.2	1	noname	-0.0228
13	C8    -0.1472     2.6260    -1.7642	C.2	1	noname	0.0236
14	C9     0.4709    -1.4634     0.8876	C.2	1	noname	0.1438
15	C10     2.8459     1.8382    -1.6984	C.3	1	noname	0.0424
16	H1    -2.5794    -1.2305    -0.5567	H	1	noname	0.0337
17	H2    -1.1022    -1.9617    -1.2285	H	1	noname	0.0337
18	H3    -1.3762    -0.7403     1.5553	H	1	noname	0.0575
19	H4     0.7633    -0.5770    -1.8057	H	1	noname	0.0654
20	H5    -2.7010     1.1379    -0.2301	H	1	noname	0.0626
21	H6    -1.9379     3.3162    -0.9232	H	1	noname	0.0651
22	H7    -2.4733    -2.8396     1.2810	H	1	noname	0.1191
23	H8    -1.1169    -3.0102     2.2382	H	1	noname	0.1191
24	H9    -0.3831     4.5211    -1.8977	H	1	noname	0.2183
25	H10     2.0094    -1.2694     2.1919	H	1	noname	0.2213
26	H11     3.8019     1.9430    -2.2114	H	1	noname	0.0535
27	H12     2.6380     2.7440    -1.1288	H	1	noname	0.0535
28	H13     2.8885     0.9850    -1.0214	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	11	1
2	1	15	1
3	2	13	1
4	2	24	1
5	3	14	1
6	3	25	1
7	4	14	2
8	7	5	1
9	5	22	1
10	5	23	1
11	6	7	1
12	6	8	1
13	6	16	1
14	6	17	1
15	7	14	1
16	7	18	1
17	8	9	2
18	8	10	1
19	9	11	1
20	9	19	1
21	10	12	2
22	10	20	1
23	11	13	2
24	12	13	1
25	12	21	1
26	15	26	1
27	15	27	1
28	15	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1