@<TRIPOS>MOLECULE
DB06729
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     3.2607     0.4933     0.0726	S	1	noname	-0.0994
2	O1     3.6622     1.1452     1.4661	O.2	1	noname	-0.1949
3	O2     4.5774     0.1137    -0.7338	O.2	1	noname	-0.1949
4	N1     2.3499    -0.8949     0.3446	N.3	1	noname	0.0926
5	C1     2.3279     1.6243    -0.8458	C.2	1	noname	-0.0163
6	C2     2.4739    -2.1047     0.9634	C.2	1	noname	-0.0215
7	C3     2.6042     2.9840    -0.7611	C.2	1	noname	0.0113
8	C4     1.3022     1.1735    -1.6684	C.2	1	noname	0.0113
9	N2     3.4178    -2.8052     1.6846	N.3	1	noname	0.0096
10	C5     1.3261    -2.8741     0.8467	C.2	1	noname	0.0098
11	C6     1.8547     3.8927    -1.4990	C.2	1	noname	-0.0446
12	C7     0.5527     2.0822    -2.4063	C.2	1	noname	-0.0446
13	N3     2.8444    -3.9453     1.9806	N.2	1	noname	-0.3048
14	C8     4.7247    -2.5157     2.0925	C.2	1	noname	-0.0141
15	C9     1.5868    -4.0614     1.5118	C.2	1	noname	0.0188
16	C10     0.8289     3.4419    -2.3216	C.2	1	noname	-0.0036
17	C11     5.5145    -3.4554     2.8617	C.2	1	noname	-0.0451
18	C12     5.3155    -1.2529     1.7462	C.2	1	noname	-0.0451
19	N4     0.1064     4.3179    -3.0330	N.3	1	noname	-0.1510
20	C13     6.8481    -3.1460     3.2714	C.2	1	noname	-0.0589
21	C14     6.6333    -0.8967     2.1274	C.2	1	noname	-0.0589
22	C15     7.3633    -1.8659     2.8855	C.2	1	noname	-0.0806
23	H1     1.4048    -1.0578     0.0278	H	1	noname	0.1520
24	H2     3.4086     3.3375    -0.1161	H	1	noname	0.0639
25	H3     1.0855     0.1073    -1.7347	H	1	noname	0.0639
26	H4     0.4036    -2.6005     0.3346	H	1	noname	0.0671
27	H5     2.0713     4.9589    -1.4326	H	1	noname	0.0639
28	H6    -0.2517     1.7287    -3.0513	H	1	noname	0.0639
29	H7     0.9293    -4.9210     1.6414	H	1	noname	0.0857
30	H8     5.0938    -4.4218     3.1398	H	1	noname	0.0643
31	H9     4.7376    -0.5321     1.1678	H	1	noname	0.0643
32	H10     0.5089     5.2046    -3.3010	H	1	noname	0.1242
33	H11    -0.8407     4.0916    -3.3010	H	1	noname	0.1242
34	H12     7.4434    -3.8522     3.8502	H	1	noname	0.0623
35	H13     7.0609     0.0677     1.8531	H	1	noname	0.0623
36	H14     8.3790    -1.6122     3.1891	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	1	5	1
5	4	6	1
6	5	7	2
7	5	8	1
8	6	9	1
9	6	10	2
10	7	11	1
11	8	12	2
12	9	13	1
13	9	14	1
14	10	15	1
15	11	16	2
16	12	16	1
17	13	15	2
18	14	17	2
19	14	18	1
20	16	19	1
21	17	20	1
22	18	21	2
23	20	22	2
24	21	22	1
25	4	23	1
26	7	24	1
27	8	25	1
28	10	26	1
29	11	27	1
30	12	28	1
31	15	29	1
32	17	30	1
33	18	31	1
34	19	32	1
35	19	33	1
36	20	34	1
37	21	35	1
38	22	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1