@<TRIPOS>MOLECULE
73951933
28 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -2.6216    -1.6464     0.9005	S.2	1	noname	-0.1105
2	O1     3.1994     1.6463     1.7936	O.3	1	noname	-0.2191
3	O2     4.5718     1.8232     0.0166	O.2	1	noname	-0.2597
4	N1    -0.2670    -1.4143    -0.2109	N.3	1	noname	-0.1715
5	N2    -1.3838     0.5285     0.1452	N.3	1	noname	-0.1086
6	C1     0.6173    -0.5313    -0.6947	C.2	1	noname	-0.0042
7	C2     1.5810     0.0174     0.1434	C.2	1	noname	0.0155
8	C3     2.4983     0.9333    -0.3584	C.2	1	noname	0.0036
9	C4     0.5709    -0.1641    -2.0345	C.2	1	noname	-0.0137
10	C5     2.4519     1.3005    -1.6982	C.2	1	noname	-0.0089
11	C6     1.4882     0.7518    -2.5363	C.2	1	noname	-0.0358
12	C7    -1.3250    -0.7776     0.2267	C.2	1	noname	-0.0143
13	C8    -1.5245     1.0743     1.4376	C.3	1	noname	0.0195
14	C9     3.4620     1.4820     0.4796	C.2	1	noname	0.0847
15	C10    -1.5886     2.5001     1.3486	C.2	1	noname	-0.0859
16	C11    -0.6779     3.2466     1.9667	C.2	1	noname	-0.0934
17	H1     1.6151    -0.2521     1.1265	H	1	noname	0.0647
18	H2    -0.1363    -0.5667    -2.6494	H	1	noname	0.0639
19	H3     0.1369    -1.9098     0.5186	H	1	noname	0.1360
20	H4     3.1250     1.9726    -2.0664	H	1	noname	0.0631
21	H5     1.4541     1.0213    -3.5194	H	1	noname	0.0623
22	H6    -2.4398     0.6971     1.8936	H	1	noname	0.0476
23	H7    -0.6689     0.7865     2.0486	H	1	noname	0.0476
24	H8    -2.1452     0.7846    -0.3986	H	1	noname	0.1302
25	H9    -2.3110     2.9314     0.8269	H	1	noname	0.0583
26	H10     0.0445     2.8153     2.4884	H	1	noname	0.0535
27	H11    -0.7223     4.2337     1.9050	H	1	noname	0.0535
28	H12     3.9274     1.6012     2.4482	H	1	noname	0.2216
@<TRIPOS>BOND
1	1	12	2
2	2	14	1
3	2	28	1
4	3	14	2
5	4	6	1
6	4	12	1
7	4	19	1
8	5	12	1
9	5	13	1
10	5	24	1
11	6	7	1
12	6	9	2
13	7	8	2
14	7	17	1
15	8	10	1
16	8	14	1
17	9	11	1
18	9	18	1
19	10	11	2
20	10	20	1
21	11	21	1
22	13	15	1
23	13	22	1
24	13	23	1
25	15	16	2
26	15	25	1
27	16	26	1
28	16	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1