@<TRIPOS>MOLECULE
DB06980
34 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.5469    -2.2201     0.4504	O.2	1	noname	-0.2532
2	C1     3.2654    -1.0147     0.2758	C.2	1	noname	0.1387
3	O2     3.7909    -0.0742     1.0893	O.3	1	noname	-0.2168
4	C2     2.3684    -0.6241    -0.8078	C.3	1	noname	0.0717
5	C3     1.2008     0.0542    -0.2525	C.2	1	noname	-0.0270
6	C4     3.1018     0.3213    -1.7613	C.3	1	noname	-0.0369
7	C5     0.0007    -0.5266     0.1526	C.2	1	noname	-0.0298
8	C6     1.0506     1.4242    -0.0146	C.2	1	noname	-0.1025
9	C7     4.3254    -0.3894    -2.3432	C.3	1	noname	-0.0524
10	C8    -0.8219     0.4983     0.6481	C.2	1	noname	-0.0879
11	C9    -0.4605    -1.8720     0.0082	C.2	1	noname	-0.0393
12	N1    -0.1603     1.6643     0.5364	N.3	1	noname	-0.0753
13	C10     5.0588     0.5560    -3.2967	C.3	1	noname	-0.0561
14	C11    -2.1716     0.2543     1.0628	C.2	1	noname	-0.0440
15	C12    -1.8195    -2.1181     0.3693	C.2	1	noname	-0.0540
16	C13     6.2824    -0.1548    -3.8787	C.3	1	noname	-0.0654
17	C14    -2.6556    -1.0772     0.8918	C.2	1	noname	-0.0512
18	H1     3.6495    -0.3274     2.0045	H	1	noname	0.2213
19	H2     2.0285    -1.5293    -1.3110	H	1	noname	0.0459
20	H3     2.4255     0.5159    -2.5936	H	1	noname	0.0278
21	H4     3.4759     1.1487    -1.1582	H	1	noname	0.0278
22	H5     1.7818     2.2032    -0.2305	H	1	noname	0.0792
23	H6     5.0017    -0.5840    -1.5109	H	1	noname	0.0267
24	H7     3.9514    -1.2168    -2.9464	H	1	noname	0.0267
25	H8     0.1890    -2.6673    -0.3576	H	1	noname	0.0629
26	H9    -0.5133     2.5675     0.8186	H	1	noname	0.1522
27	H10     4.3825     0.7505    -4.1291	H	1	noname	0.0264
28	H11     5.4329     1.3833    -2.6936	H	1	noname	0.0264
29	H12    -2.7973     1.0402     1.4859	H	1	noname	0.0642
30	H13    -2.2271    -3.1212     0.2435	H	1	noname	0.0622
31	H14     6.9109    -0.5200    -3.0665	H	1	noname	0.0230
32	H15     5.9569    -0.9950    -4.4921	H	1	noname	0.0230
33	H16     6.8510     0.5441    -4.4921	H	1	noname	0.0230
34	H17    -3.6858    -1.3041     1.1662	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	5	7	1
7	5	8	2
8	6	9	1
9	7	10	2
10	7	11	1
11	8	12	1
12	9	13	1
13	10	14	1
14	10	12	1
15	11	15	2
16	13	16	1
17	14	17	2
18	15	17	1
19	3	18	1
20	4	19	1
21	6	20	1
22	6	21	1
23	8	22	1
24	9	23	1
25	9	24	1
26	11	25	1
27	12	26	1
28	13	27	1
29	13	28	1
30	14	29	1
31	15	30	1
32	16	31	1
33	16	32	1
34	16	33	1
35	17	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1