@<TRIPOS>MOLECULE
DB07533
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -5.5248    -7.6296    -7.9600	S	1	noname	-0.1180
2	O1    -4.3881    -8.4119    -8.7499	O.2	1	noname	-0.1987
3	O2    -6.4423    -6.8425    -8.9929	O.2	1	noname	-0.1987
4	N1    -6.4926    -8.7588    -7.0722	N.3	1	noname	-0.0033
5	C1    -4.7968    -6.5069    -6.8634	C.2	1	noname	0.0292
6	C2    -7.2260    -9.6119    -8.0059	C.3	1	noname	0.0019
7	C3    -3.5071    -5.9763    -7.1847	C.2	1	noname	0.0214
8	C4    -5.5110    -6.1506    -5.6760	C.2	1	noname	0.0214
9	C5    -2.9051    -5.0573    -6.2725	C.2	1	noname	-0.0062
10	C6    -4.8969    -5.2264    -4.7739	C.2	1	noname	-0.0062
11	C7    -3.5868    -4.6806    -5.0632	C.2	1	noname	0.0019
12	C8    -2.9873    -3.7753    -4.1361	C.2	1	noname	0.0494
13	O3    -3.7386    -3.0628    -3.2675	O.3	1	noname	-0.3645
14	C9    -1.6394    -3.4770    -3.8693	C.2	1	noname	0.0059
15	C10    -2.9506    -2.3864    -2.4097	C.2	1	noname	0.0449
16	C11    -1.6188    -2.5929    -2.7864	C.2	1	noname	0.0070
17	C12    -3.3828    -1.8755    -1.1917	C.2	1	noname	0.0507
18	C13    -4.4614    -2.3916    -0.5498	C.2	1	noname	0.0742
19	S2    -5.5611    -3.6509    -1.0201	S.3	1	noname	-0.0435
20	C14    -4.6820    -2.3342     0.8708	C.2	1	noname	0.0679
21	C15    -5.4484    -4.6708     0.5063	C.2	1	noname	0.0007
22	O4    -4.7821    -1.2847     1.5424	O.2	1	noname	-0.2848
23	N2    -4.7738    -3.7288     1.4242	N.3	1	noname	0.0522
24	N3    -5.8441    -5.8647     0.7156	N.2	1	noname	-0.2498
25	H1    -6.6200    -8.9090    -6.0816	H	1	noname	0.1439
26	H2    -7.8361   -10.3216    -7.4472	H	1	noname	0.0406
27	H3    -7.8692    -8.9948    -8.6333	H	1	noname	0.0406
28	H4    -6.5194   -10.1552    -8.6333	H	1	noname	0.0406
29	H5    -2.9953    -6.2652    -8.1027	H	1	noname	0.0639
30	H6    -6.4942    -6.5710    -5.4647	H	1	noname	0.0639
31	H7    -1.9231    -4.6424    -6.4997	H	1	noname	0.0630
32	H8    -5.4271    -4.9381    -3.8663	H	1	noname	0.0630
33	H9    -0.7702    -3.8606    -4.4038	H	1	noname	0.0651
34	H10    -0.7358    -2.1505    -2.3252	H	1	noname	0.0651
35	H11    -2.8582    -1.0422    -0.7242	H	1	noname	0.0664
36	H12    -4.4162    -4.0065     2.3270	H	1	noname	0.1395
37	H13    -5.8994    -6.0315     1.7102	H	1	noname	0.1893
@<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	7	9	1
9	8	10	2
10	9	11	2
11	10	11	1
12	11	12	1
13	12	13	1
14	12	14	2
15	13	15	1
16	14	16	1
17	15	17	1
18	15	16	2
19	17	18	2
20	18	19	1
21	18	20	1
22	19	21	1
23	20	22	2
24	20	23	1
25	21	24	2
26	21	23	1
27	4	25	1
28	6	26	1
29	6	27	1
30	6	28	1
31	7	29	1
32	8	30	1
33	9	31	1
34	10	32	1
35	14	33	1
36	16	34	1
37	17	35	1
38	23	36	1
39	24	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1