@<TRIPOS>MOLECULE
76971132
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     0.2603     0.1428    -0.3395	S.3	1	noname	-0.1492
2	O1     2.7770    -1.0539     0.1840	O.3	1	noname	-0.1588
3	O2     8.3475     1.7590    -0.5836	O.3	1	noname	-0.2168
4	O3     7.7651     3.8470    -1.1947	O.2	1	noname	-0.2533
5	N1     1.5183     0.4121     1.6906	N.2	1	noname	-0.1892
6	C1     6.6400     2.0714    -2.3768	C.3	1	noname	0.0671
7	C2     5.6311     1.2552    -1.7080	C.2	1	noname	-0.0522
8	C3     5.9898     3.1863    -3.0593	C.3	1	noname	-0.0490
9	C4     4.4601     1.8414    -1.2418	C.2	1	noname	-0.0411
10	C5     5.8414    -0.1082    -1.5374	C.2	1	noname	-0.0411
11	C6     3.7099    -0.2991    -0.4344	C.2	1	noname	0.0063
12	C7     3.4995     1.0643    -0.6050	C.2	1	noname	-0.0172
13	C8     4.8809    -0.8853    -0.9006	C.2	1	noname	-0.0172
14	C9     7.6266     2.6133    -1.3405	C.2	1	noname	0.1386
15	C10     1.7357    -0.2748     0.5464	C.2	1	noname	0.1296
16	C11    -0.6003     1.1942     0.7907	C.2	1	noname	0.0472
17	C12     0.3637     1.1406     1.8165	C.2	1	noname	0.0413
18	H1     7.1758     1.4624    -3.1049	H	1	noname	0.0456
19	H2     6.7431     3.7957    -3.5586	H	1	noname	0.0242
20	H3     5.2870     2.8003    -3.7976	H	1	noname	0.0242
21	H4     5.4540     3.7953    -2.3312	H	1	noname	0.0242
22	H5     4.3058     2.8418    -1.3670	H	1	noname	0.0626
23	H6     6.7007    -0.5384    -1.8794	H	1	noname	0.0626
24	H7     2.6403     1.4944    -0.2629	H	1	noname	0.0650
25	H8     5.0352    -1.8858    -0.7754	H	1	noname	0.0650
26	H9     8.6225     2.0180     0.3207	H	1	noname	0.2213
27	H10    -1.4957     1.6780     0.7229	H	1	noname	0.0757
28	H11     0.1977     1.6595     2.6788	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