@<TRIPOS>MOLECULE
DB02980
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -5.7233    -2.2717    -3.2800	S.2	1	noname	-0.0353
2	P1    -4.5994    -3.2551    -2.0733	P	1	noname	-0.0542
3	S2    -5.6538    -4.5544    -1.1318	S.3	1	noname	-0.0194
4	O1    -3.9581    -2.2853    -1.0635	O.3	1	noname	-0.2107
5	O2    -3.4935    -3.9716    -2.8704	O.3	1	noname	-0.2231
6	C1    -3.1268    -3.0126    -0.1710	C.3	1	noname	0.0877
7	C2    -2.4897    -2.0491     0.8323	C.3	1	noname	0.1099
8	O3    -3.5160    -1.3842     1.5720	O.3	1	noname	-0.3537
9	C3    -1.6031    -2.8363     1.8047	C.3	1	noname	0.0864
10	C4    -2.7828    -0.9385     2.7167	C.3	1	noname	0.1256
11	O4    -0.2387    -2.6493     1.4586	O.3	1	noname	-0.3900
12	C5    -1.8927    -2.1348     3.1248	C.3	1	noname	0.0167
13	N1    -3.6839    -0.3487     3.6744	N.3	1	noname	0.0573
14	C6    -3.8999     1.0062     3.5465	C.2	1	noname	0.1090
15	C7    -4.3410    -1.0846     4.6550	C.2	1	noname	-0.0393
16	O5    -3.3248     1.6701     2.6571	O.2	1	noname	-0.2475
17	N2    -4.7658     1.6025     4.4259	N.2	1	noname	-0.1274
18	C8    -5.2331    -0.4988     5.5908	C.2	1	noname	0.0283
19	C9    -5.4129     0.8997     5.4174	C.2	1	noname	0.0445
20	C10    -5.9052    -1.2642     6.6367	C.3	1	noname	-0.0346
21	O6    -6.2442     1.5603     6.2511	O.3	1	noname	-0.2561
22	H1    -5.5109    -4.3784     0.1686	H	1	noname	0.1155
23	H2    -2.8706    -4.3752    -2.2616	H	1	noname	0.2244
24	H3    -3.7974    -3.6752     0.3763	H	1	noname	0.0604
25	H4    -2.3323    -3.4307    -0.7890	H	1	noname	0.0604
26	H5    -1.9295    -1.2662     0.3211	H	1	noname	0.0656
27	H6    -1.7248    -3.9195     1.8038	H	1	noname	0.0630
28	H7    -2.1626    -0.0613     2.5323	H	1	noname	0.0788
29	H8     0.2873    -2.5772     2.2584	H	1	noname	0.2105
30	H9    -2.4900    -2.8109     3.7366	H	1	noname	0.0335
31	H10    -0.9499    -1.7433     3.5070	H	1	noname	0.0335
32	H11    -4.1502    -2.1572     4.6914	H	1	noname	0.0762
33	H12    -5.7812    -2.3298     6.4437	H	1	noname	0.0281
34	H13    -5.4694    -1.0172     7.6047	H	1	noname	0.0281
35	H14    -6.9668    -1.0172     6.6425	H	1	noname	0.0281
36	H15    -6.0037     1.3692     7.1606	H	1	noname	0.2199
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	2	5	1
5	4	6	1
6	7	6	1
7	7	8	1
8	7	9	1
9	8	10	1
10	9	11	1
11	9	12	1
12	10	13	1
13	10	12	1
14	13	14	1
15	13	15	1
16	14	16	2
17	14	17	1
18	15	18	2
19	17	19	2
20	18	20	1
21	18	19	1
22	19	21	1
23	3	22	1
24	5	23	1
25	6	24	1
26	6	25	1
27	7	26	1
28	9	27	1
29	10	28	1
30	11	29	1
31	12	30	1
32	12	31	1
33	15	32	1
34	20	33	1
35	20	34	1
36	20	35	1
37	21	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1