@<TRIPOS>MOLECULE
76967759
26 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.9890    -3.5303     0.5222	S.3	1	noname	-0.1239
2	O1    -1.6966    -1.1215     0.2369	O.3	1	noname	-0.3450
3	O2    -4.1956    -1.4119     1.7676	O.3	1	noname	-0.3926
4	O3    -1.2466    -1.4254    -3.0945	O.2	1	noname	-0.2488
5	N1    -0.2118    -0.1936    -1.4664	N.3	1	noname	0.0547
6	N2    -0.2578     0.5232    -3.7425	N.2	1	noname	-0.1588
7	N3     0.7377     2.5283    -4.4335	N.3	1	noname	-0.1313
8	C1    -0.3942    -1.2119    -0.4236	C.3	1	noname	0.1331
9	C2    -0.1267    -2.6764    -0.8657	C.3	1	noname	0.0369
10	C3    -1.9596    -2.1335     1.2333	C.3	1	noname	0.1283
11	C4    -3.4480    -2.4878     1.2199	C.3	1	noname	0.0790
12	C5     0.4308     1.0074    -1.1628	C.2	1	noname	-0.0521
13	C6    -0.5972    -0.4038    -2.7828	C.2	1	noname	0.1021
14	C7     0.7839     2.0000    -2.1114	C.2	1	noname	-0.0084
15	C8     0.4180     1.6820    -3.4450	C.2	1	noname	-0.0358
16	H1     0.3442    -1.0650     0.3696	H	1	noname	0.0796
17	H2    -0.6536    -2.8763    -1.7987	H	1	noname	0.0422
18	H3     0.9273    -2.9332    -0.9714	H	1	noname	0.0422
19	H4    -1.5519    -1.8358     2.1994	H	1	noname	0.0747
20	H5    -3.7692    -2.6683     0.1941	H	1	noname	0.0600
21	H6    -3.6132    -3.3855     1.8157	H	1	noname	0.0600
22	H7     0.6639     1.1842    -0.1856	H	1	noname	0.0759
23	H8     1.2589     2.8662    -1.8577	H	1	noname	0.0666
24	H9    -5.1489    -1.6388     1.7590	H	1	noname	0.2101
25	H10     0.4215     2.1725    -5.2787	H	1	noname	0.1257
26	H11     0.3219     3.3891    -4.2693	H	1	noname	0.1257
@<TRIPOS>BOND
1	1	9	1
2	1	10	1
3	2	8	1
4	2	10	1
5	3	11	1
6	3	24	1
7	4	13	2
8	8	5	1
9	5	12	1
10	5	13	1
11	6	13	1
12	6	15	2
13	7	15	1
14	7	25	1
15	7	26	1
16	8	9	1
17	8	16	1
18	9	17	1
19	9	18	1
20	10	11	1
21	10	19	1
22	11	20	1
23	11	21	1
24	12	14	2
25	12	22	1
26	14	15	1
27	14	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1