@<TRIPOS>MOLECULE
76967659
28 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.6959     3.4410    -1.4688	O.3	1	noname	-0.2759
2	O2    -2.2736    -2.1117     0.3668	O.2	1	noname	-0.2711
3	N1    -0.7844    -0.8972    -0.8067	N.3	1	noname	-0.1391
4	N2    -0.5554    -0.5341     2.5885	N.3	1	noname	-0.3229
5	C1     0.0934     0.1418    -1.0431	C.2	1	noname	-0.0336
6	C2     1.8165     2.3941    -1.3664	C.2	1	noname	-0.0002
7	C3     0.8749     0.6625     0.0262	C.2	1	noname	-0.0259
8	C4     0.2704     0.6997    -2.3443	C.2	1	noname	-0.0259
9	C5     1.6126     1.8304    -0.0940	C.2	1	noname	-0.0228
10	C6     1.1400     1.8151    -2.4968	C.2	1	noname	-0.0228
11	C7     4.0238     2.9122    -1.6595	C.3	1	noname	0.0505
12	C8    -1.5169    -1.1225     0.3588	C.2	1	noname	0.1358
13	C9    -1.6254    -0.3004     1.5972	C.3	1	noname	0.0678
14	C10     5.0208     4.0669    -1.7762	C.3	1	noname	-0.0410
15	H1     0.9663     0.1710     0.9091	H	1	noname	0.0640
16	H2    -0.2241     0.2954    -3.1660	H	1	noname	0.0640
17	H3     2.0638     2.2088     0.7569	H	1	noname	0.0650
18	H4     1.3026     2.2120    -3.4360	H	1	noname	0.0650
19	H5    -0.9309    -1.5319    -1.5369	H	1	noname	0.1371
20	H6     4.0500     2.3161    -2.5717	H	1	noname	0.0568
21	H7     4.2912     2.2859    -0.8084	H	1	noname	0.0568
22	H8    -2.5959    -0.4713     2.0630	H	1	noname	0.0522
23	H9    -1.5022     0.7442     1.3110	H	1	noname	0.0522
24	H10     6.0245     3.6672    -1.9204	H	1	noname	0.0254
25	H11     4.7534     4.6932    -2.6273	H	1	noname	0.0254
26	H12     4.9946     4.6630    -0.8640	H	1	noname	0.0254
27	H13    -0.7066     0.0671     3.4010	H	1	noname	0.1188
28	H14    -0.5704    -1.5131     2.8815	H	1	noname	0.1188
@<TRIPOS>BOND
1	1	6	1
2	1	11	1
3	2	12	2
4	3	5	1
5	3	12	1
6	3	19	1
7	4	13	1
8	4	27	1
9	4	28	1
10	5	7	2
11	5	8	1
12	6	9	2
13	6	10	1
14	7	9	1
15	7	15	1
16	8	10	2
17	8	16	1
18	9	17	1
19	10	18	1
20	11	14	1
21	11	20	1
22	11	21	1
23	12	13	1
24	13	22	1
25	13	23	1
26	14	24	1
27	14	25	1
28	14	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1