@<TRIPOS>MOLECULE
76962902
27 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.5184    -2.2476     0.7618	O.3	1	noname	-0.3378
2	O2     1.7942     0.4054     2.1304	O.2	1	noname	-0.2552
3	O3     3.1647     1.0715    -0.6301	O.2	1	noname	-0.2594
4	O4     6.3132    -1.9916     0.4353	O.3	1	noname	-0.3930
5	O5    -1.4189    -3.5675     5.4281	O.2	1	noname	-0.2483
6	N1     1.5887    -2.3946     2.2770	N.3	1	noname	0.0161
7	N2    -0.8036    -2.0635     1.7172	N.3	1	noname	0.0712
8	N3     1.3040    -3.1777     4.3326	N.2	1	noname	-0.2100
9	N4    -2.2401    -2.7106     3.4727	N.2	1	noname	-0.1643
10	C1     2.1725    -1.8573     1.0722	C.3	1	noname	0.1968
11	C2     4.0889    -1.1929    -0.0342	C.3	1	noname	0.1495
12	C3     2.2915    -0.3313     1.2515	C.2	1	noname	0.2127
13	C4     3.1767     0.0369     0.0713	C.2	1	noname	0.2107
14	C5     0.2594    -2.4421     2.5001	C.2	1	noname	0.0094
15	C6     5.4789    -0.8444     0.5016	C.3	1	noname	0.0772
16	C7     2.2155    -2.8308     3.3959	C.2	1	noname	-0.0345
17	C8     0.1013    -2.9454     3.7860	C.2	1	noname	0.0590
18	C9    -1.2083    -3.0986     4.2887	C.2	1	noname	0.1390
19	C10    -2.0728    -2.1956     2.2082	C.2	1	noname	0.0169
20	H1     1.5305    -2.1410     0.2192	H	1	noname	0.0916
21	H2     4.1561    -1.4740    -1.0852	H	1	noname	0.0717
22	H3     5.3969    -0.5142     1.5372	H	1	noname	0.0595
23	H4     5.9109    -0.0456    -0.1012	H	1	noname	0.0595
24	H5     3.2270    -2.8891     3.5144	H	1	noname	0.1016
25	H6    -0.6558    -1.7070     0.8273	H	1	noname	0.0659
26	H7    -2.8790    -1.9181     1.6484	H	1	noname	0.0841
27	H8     7.2035    -1.7683     0.7785	H	1	noname	0.2101
@<TRIPOS>BOND
1	1	10	1
2	1	11	1
3	2	12	2
4	3	13	2
5	4	15	1
6	4	27	1
7	5	18	2
8	10	6	1
9	6	14	1
10	6	16	1
11	7	14	1
12	7	19	1
13	7	25	1
14	8	16	2
15	8	17	1
16	9	18	1
17	9	19	2
18	10	12	1
19	10	20	1
20	11	13	1
21	11	15	1
22	11	21	1
23	12	13	1
24	14	17	2
25	15	22	1
26	15	23	1
27	16	24	1
28	17	18	1
29	19	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1