@<TRIPOS>MOLECULE
76971689
21 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.6261     2.2866    -3.0124	S.3	1	noname	0.0216
2	S2    -2.6743     2.5122    -5.9587	S.3	1	noname	0.0143
3	P1    -3.1706     2.6092    -4.1065	P	1	noname	0.0018
4	O1    -4.2435     1.5461    -3.8062	O.3	1	noname	-0.2037
5	O2    -3.6978     3.9179    -3.8187	O.2	1	noname	-0.2444
6	O3    -0.9063     1.1702     0.3542	O.2	1	noname	-0.2935
7	N1     0.1496     2.9382    -0.5360	N.3	1	noname	-0.0793
8	C1    -2.0914     2.3775    -1.2760	C.3	1	noname	0.0795
9	C2    -0.9169     2.1321    -0.4440	C.2	1	noname	0.0417
10	C3     1.4405     2.4311    -0.2821	C.3	1	noname	-0.0088
11	C4    -4.1222     2.8147    -6.9844	C.3	1	noname	-0.0060
12	H1    -2.8508     1.6250    -1.0634	H	1	noname	0.0484
13	H2    -2.4904     3.3681    -1.0581	H	1	noname	0.0484
14	H3     0.0335     3.8705    -0.7773	H	1	noname	0.1306
15	H4     1.8878     2.9760     0.5493	H	1	noname	0.0396
16	H5     1.3719     1.3733    -0.0283	H	1	noname	0.0396
17	H6     2.0597     2.5521    -1.1709	H	1	noname	0.0396
18	H7    -3.8405     2.7596    -8.0360	H	1	noname	0.0351
19	H8    -4.8816     2.0622    -6.7719	H	1	noname	0.0351
20	H9    -4.5213     3.8053    -6.7666	H	1	noname	0.0351
21	H10    -3.8847     0.6554    -4.0021	H	1	noname	0.2253
@<TRIPOS>BOND
1	1	3	1
2	1	8	1
3	2	3	1
4	2	11	1
5	3	4	1
6	3	5	2
7	4	21	1
8	6	9	2
9	7	9	1
10	7	10	1
11	7	14	1
12	8	9	1
13	8	12	1
14	8	13	1
15	10	15	1
16	10	16	1
17	10	17	1
18	11	18	1
19	11	19	1
20	11	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1