@<TRIPOS>MOLECULE
DB04474
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.5537    -1.8508     2.1841	S	1	noname	-0.0418
2	O1     0.9060    -2.0535     3.6277	O.2	1	noname	-0.1679
3	O2     1.1708    -3.0820     1.2537	O.2	1	noname	-0.1679
4	O3     3.2334    -1.7158     2.3121	O.3	1	noname	-0.1481
5	C1     0.8757    -0.3749     1.5115	C.2	1	noname	0.0398
6	C2    -0.4121    -0.2048     0.8786	C.2	1	noname	0.0202
7	C3     1.8013     0.7022     1.5503	C.2	1	noname	0.0274
8	C4    -1.4913    -1.1628     0.8238	C.2	1	noname	-0.0001
9	C5    -0.6745     1.0845     0.2650	C.2	1	noname	-0.0208
10	C6     1.5149     1.9475     0.9397	C.2	1	noname	-0.0278
11	N1    -1.6265    -2.2415     1.6465	N.3	1	noname	-0.0217
12	C7    -2.6898    -0.8819     0.1125	C.2	1	noname	-0.0532
13	C8     0.2829     2.1196     0.2802	C.2	1	noname	-0.0101
14	C9    -1.9095     1.3766    -0.3515	C.2	1	noname	-0.0686
15	C10    -2.0194    -2.1639     2.9692	C.2	1	noname	-0.0326
16	C11    -2.9094     0.3888    -0.4636	C.2	1	noname	-0.0579
17	C12    -1.9760    -3.3385     3.8005	C.2	1	noname	-0.0609
18	C13    -2.3701    -0.8931     3.5557	C.2	1	noname	-0.0609
19	C14    -2.1617    -3.2325     5.2244	C.2	1	noname	-0.0637
20	C15    -2.5725    -0.7656     4.9578	C.2	1	noname	-0.0637
21	C16    -2.4536    -1.9427     5.7695	C.2	1	noname	-0.0854
22	H1     3.4832    -1.6957     3.2388	H	1	noname	0.2388
23	H2     2.7549     0.5698     2.0612	H	1	noname	0.0640
24	H3     2.2352     2.7648     0.9769	H	1	noname	0.0623
25	H4    -1.4240    -3.1497     1.2539	H	1	noname	0.1342
26	H5    -3.4526    -1.6534     0.0072	H	1	noname	0.0639
27	H6     0.0684     3.0625    -0.2229	H	1	noname	0.0629
28	H7    -2.0931     2.3763    -0.7454	H	1	noname	0.0629
29	H8    -3.8399     0.6045    -0.9887	H	1	noname	0.0623
30	H9    -1.8014    -4.3150     3.3487	H	1	noname	0.0639
31	H10    -2.4846    -0.0106     2.9263	H	1	noname	0.0639
32	H11    -2.0834    -4.1054     5.8724	H	1	noname	0.0623
33	H12    -2.8110     0.2034     5.3964	H	1	noname	0.0623
34	H13    -2.5910    -1.8532     6.8471	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	1	5	1
5	5	6	1
6	5	7	2
7	6	8	2
8	6	9	1
9	7	10	1
10	8	11	1
11	8	12	1
12	9	13	1
13	9	14	2
14	10	13	2
15	11	15	1
16	12	16	2
17	14	16	1
18	15	17	2
19	15	18	1
20	17	19	1
21	18	20	2
22	19	21	2
23	20	21	1
24	4	22	1
25	7	23	1
26	10	24	1
27	11	25	1
28	12	26	1
29	13	27	1
30	14	28	1
31	16	29	1
32	17	30	1
33	18	31	1
34	19	32	1
35	20	33	1
36	21	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1