@<TRIPOS>MOLECULE
DB06943
37 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.3149    -2.2534     0.0089	S	1	noname	-0.1178
2	O1    -2.1622    -1.0699     0.6798	O.2	1	noname	-0.1977
3	O2     0.0534    -2.4703     0.8214	O.2	1	noname	-0.1977
4	N1    -0.9877    -1.7701    -1.6508	N.3	1	noname	0.0085
5	C1    -2.2698    -3.7356    -0.0128	C.2	1	noname	0.0079
6	C2    -0.1857    -0.5543    -1.6340	C.3	1	noname	0.0282
7	C3    -0.1301    -2.6983    -2.3959	C.3	1	noname	0.0176
8	C4    -1.5856    -4.9954     0.0458	C.2	1	noname	0.0240
9	C5    -3.6984    -3.6448    -0.0867	C.2	1	noname	0.0240
10	C6     0.1805    -0.4150    -3.1074	C.3	1	noname	0.0171
11	C7     0.3571    -1.8614    -3.5844	C.3	1	noname	-0.0260
12	C8    -2.3473    -6.2017     0.0427	C.2	1	noname	-0.0040
13	C9    -4.4725    -4.8463    -0.0875	C.2	1	noname	-0.0040
14	S2     1.7457     0.4613    -3.2564	S.3	1	noname	-0.1744
15	C10    -3.7771    -6.0985    -0.0208	C.2	1	noname	0.0298
16	O3    -4.5035    -7.2364    -0.0174	O.3	1	noname	-0.2625
17	C11    -4.8146    -7.5955     1.3207	C.3	1	noname	0.1140
18	C12    -5.5474    -8.7435     1.3241	C.1	1	noname	-0.0847
19	C13    -6.1898    -9.7500     1.3271	C.1	1	noname	-0.0938
20	C14    -6.9226   -10.8980     1.3304	C.3	1	noname	-0.0026
21	H1    -0.8378     0.2713    -1.3487	H	1	noname	0.0456
22	H2     0.7177    -0.7588    -1.0595	H	1	noname	0.0456
23	H3     0.7241    -2.9330    -1.7608	H	1	noname	0.0445
24	H4    -0.7668    -3.4996    -2.7710	H	1	noname	0.0445
25	H5    -0.4973    -5.0357     0.0922	H	1	noname	0.0640
26	H6    -4.1902    -2.6736    -0.1417	H	1	noname	0.0640
27	H7    -0.6692     0.0232    -3.6309	H	1	noname	0.0428
28	H8     1.4239    -2.0461    -3.7112	H	1	noname	0.0292
29	H9    -0.3274    -2.0275    -4.4161	H	1	noname	0.0292
30	H10    -1.8524    -7.1719     0.0873	H	1	noname	0.0650
31	H11    -5.5607    -4.8087    -0.1375	H	1	noname	0.0650
32	H12     2.2182     0.7259    -2.0525	H	1	noname	0.1025
33	H13    -3.8768    -7.8350     1.8222	H	1	noname	0.0712
34	H14    -5.4662    -6.8208     1.7248	H	1	noname	0.0712
35	H15    -7.1167   -11.2022     2.3590	H	1	noname	0.0365
36	H16    -7.8689   -10.7265     0.8175	H	1	noname	0.0365
37	H17    -6.3686   -11.6842     0.8175	H	1	noname	0.0365
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	1	5	1
5	4	6	1
6	4	7	1
7	5	8	2
8	5	9	1
9	6	10	1
10	7	11	1
11	8	12	1
12	9	13	2
13	10	14	1
14	10	11	1
15	12	15	2
16	13	15	1
17	15	16	1
18	16	17	1
19	17	18	1
20	18	19	3
21	19	20	1
22	6	21	1
23	6	22	1
24	7	23	1
25	7	24	1
26	8	25	1
27	9	26	1
28	10	27	1
29	11	28	1
30	11	29	1
31	12	30	1
32	13	31	1
33	14	32	1
34	17	33	1
35	17	34	1
36	20	35	1
37	20	36	1
38	20	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1