@<TRIPOS>MOLECULE
76971131
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     0.3096     0.2456    -0.5083	S.3	1	noname	-0.1492
2	O1     2.7318    -1.0779     0.1408	O.3	1	noname	-0.1588
3	O2     5.4829     2.9704    -3.7337	O.3	1	noname	-0.2168
4	O3     6.6544     4.2846    -2.3290	O.2	1	noname	-0.2533
5	N1     1.4304     0.3854     1.6132	N.2	1	noname	-0.1892
6	C1     6.8914     1.9678    -2.0202	C.3	1	noname	0.0671
7	C2     5.8050     1.1723    -1.4558	C.2	1	noname	-0.0522
8	C3     7.8233     2.4279    -0.8973	C.3	1	noname	-0.0490
9	C4     5.9468    -0.2042    -1.3251	C.2	1	noname	-0.0411
10	C5     4.6289     1.7916    -1.0491	C.2	1	noname	-0.0411
11	C6     3.7364    -0.3423    -0.3811	C.2	1	noname	0.0063
12	C7     4.9125    -0.9615    -0.7878	C.2	1	noname	-0.0172
13	C8     3.5945     1.0342    -0.5118	C.2	1	noname	-0.0172
14	C9     6.3374     3.1342    -2.7015	C.2	1	noname	0.1386
15	C10     1.7002    -0.2679     0.4606	C.2	1	noname	0.1296
16	C11    -0.5853     1.2914     0.6002	C.2	1	noname	0.0472
17	C12     0.3004     1.1584     1.6874	C.2	1	noname	0.0413
18	H1     7.4522     1.3631    -2.7329	H	1	noname	0.0456
19	H2     8.6343     3.0218    -1.3186	H	1	noname	0.0242
20	H3     7.2625     3.0326    -0.1846	H	1	noname	0.0242
21	H4     8.2368     1.5571    -0.3886	H	1	noname	0.0242
22	H5     6.8099    -0.6586    -1.6235	H	1	noname	0.0626
23	H6     4.5248     2.8017    -1.1450	H	1	noname	0.0626
24	H7     5.0166    -1.9717    -0.6919	H	1	noname	0.0650
25	H8     2.7315     1.4886    -0.2134	H	1	noname	0.0650
26	H9     4.7922     3.6430    -3.9095	H	1	noname	0.2213
27	H10    -1.4531     1.8160     0.4897	H	1	noname	0.0757
28	H11     0.0950     1.6521     2.5561	H	1	noname	0.0849
@<TRIPOS>BOND
1	1	15	1
2	1	16	1
3	2	11	1
4	2	15	1
5	3	14	1
6	3	26	1
7	4	14	2
8	5	15	2
9	5	17	1
10	6	7	1
11	6	8	1
12	6	14	1
13	6	18	1
14	7	9	2
15	7	10	1
16	8	19	1
17	8	20	1
18	8	21	1
19	9	12	1
20	9	22	1
21	10	13	2
22	10	23	1
23	11	12	2
24	11	13	1
25	12	24	1
26	13	25	1
27	16	17	2
28	16	27	1
29	17	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1