@<TRIPOS>MOLECULE
DB07534
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -5.5546    -7.5861    -8.1181	S	1	noname	-0.1207
2	O1    -4.4218    -8.3788    -8.9032	O.2	1	noname	-0.1996
3	O2    -6.4406    -6.7651    -9.1521	O.2	1	noname	-0.1996
4	N1    -6.5578    -8.7091    -7.2624	N.3	1	noname	-0.0106
5	C1    -4.8211    -6.4951    -6.9936	C.2	1	noname	0.0290
6	C2    -3.5165    -5.9855    -7.2875	C.2	1	noname	0.0211
7	C3    -5.5460    -6.1427    -5.8114	C.2	1	noname	0.0211
8	C4    -2.9103    -5.0928    -6.3522	C.2	1	noname	-0.0063
9	C5    -4.9274    -5.2448    -4.8861	C.2	1	noname	-0.0063
10	C6    -3.6026    -4.7210    -5.1474	C.2	1	noname	0.0016
11	C7    -2.9993    -3.8421    -4.1976	C.2	1	noname	0.0494
12	O3    -3.7494    -3.1281    -3.3292	O.3	1	noname	-0.3645
13	C8    -1.6499    -3.5750    -3.9063	C.2	1	noname	0.0059
14	C9    -2.9613    -2.4807    -2.4494	C.2	1	noname	0.0449
15	C10    -1.6283    -2.7081    -2.8095	C.2	1	noname	0.0070
16	C11    -3.4016    -1.9800    -1.2302	C.2	1	noname	0.0507
17	C12    -4.4998    -2.4841    -0.6124	C.2	1	noname	0.0742
18	S2    -5.6170    -3.7138    -1.1185	S.3	1	noname	-0.0435
19	C13    -4.7406    -2.4439     0.8055	C.2	1	noname	0.0679
20	C14    -5.5475    -4.7590     0.3934	C.2	1	noname	0.0007
21	O4    -4.8300    -1.4030     1.4918	O.2	1	noname	-0.2848
22	N2    -4.8684    -3.8447     1.3357	N.3	1	noname	0.0522
23	N3    -5.9699    -5.9477     0.5782	N.2	1	noname	-0.2498
24	H1    -7.5026    -8.4538    -7.0129	H	1	noname	0.1404
25	H2    -6.1980    -9.6192    -7.0129	H	1	noname	0.1404
26	H3    -2.9967    -6.2706    -8.2022	H	1	noname	0.0639
27	H4    -6.5404    -6.5464    -5.6213	H	1	noname	0.0639
28	H5    -1.9169    -4.6942    -6.5584	H	1	noname	0.0630
29	H6    -5.4655    -4.9599    -3.9820	H	1	noname	0.0630
30	H7    -0.7806    -3.9677    -4.4337	H	1	noname	0.0651
31	H8    -0.7437    -2.2906    -2.3285	H	1	noname	0.0651
32	H9    -2.8677    -1.1646    -0.7420	H	1	noname	0.0664
33	H10    -4.5300    -4.1433     2.2393	H	1	noname	0.1395
34	H11    -6.0352    -6.1315     1.5692	H	1	noname	0.1893
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	1	5	1
5	5	6	2
6	5	7	1
7	6	8	1
8	7	9	2
9	8	10	2
10	9	10	1
11	10	11	1
12	11	12	1
13	11	13	2
14	12	14	1
15	13	15	1
16	14	16	1
17	14	15	2
18	16	17	2
19	17	18	1
20	17	19	1
21	18	20	1
22	19	21	2
23	19	22	1
24	20	23	2
25	20	22	1
26	4	24	1
27	4	25	1
28	6	26	1
29	7	27	1
30	8	28	1
31	9	29	1
32	13	30	1
33	15	31	1
34	16	32	1
35	22	33	1
36	23	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1