@<TRIPOS>MOLECULE
119026102
25 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     4.0526    -0.0732     0.2014	S	1	noname	-0.0931
2	S2    -0.0032    -0.6820    -0.8287	S.3	1	noname	-0.1788
3	O1     4.6319    -0.6678    -1.1547	O.2	1	noname	-0.1940
4	O2     3.9862     1.5121     0.0993	O.2	1	noname	-0.1940
5	N1     2.5095    -0.6825     0.4660	N.3	1	noname	0.1248
6	N2     7.5391    -1.5966     4.6450	N.3	1	noname	-0.1510
7	N3     1.9811     0.3863    -1.6640	N.2	1	noname	-0.2129
8	C1     5.0837    -0.5237     1.5155	C.2	1	noname	-0.0163
9	C2     5.3044    -1.8669     1.7968	C.2	1	noname	0.0116
10	C3     5.6914     0.4576     2.2900	C.2	1	noname	0.0116
11	C4     6.7405    -1.2476     3.6272	C.2	1	noname	-0.0034
12	C5     6.1328    -2.2289     2.8526	C.2	1	noname	-0.0446
13	C6     6.5198     0.0956     3.3459	C.2	1	noname	-0.0446
14	C7     1.7109    -0.3335    -0.5518	C.2	1	noname	0.1022
15	C8    -0.3275     0.1111    -2.3744	C.2	1	noname	0.0337
16	C9     0.9757     0.6092    -2.5692	C.2	1	noname	0.0311
17	H1     4.8584    -2.5870     1.2284	H	1	noname	0.0639
18	H2     5.5294     1.4432     2.0836	H	1	noname	0.0639
19	H3     2.1561    -0.3197     1.2933	H	1	noname	0.1530
20	H4     6.2948    -3.2146     3.0590	H	1	noname	0.0639
21	H5     6.9658     0.8157     3.9142	H	1	noname	0.0639
22	H6     7.5848    -2.5638     4.7033	H	1	noname	0.1242
23	H7     7.1823    -1.2393     5.4732	H	1	noname	0.1242
24	H8    -1.1750     0.1839    -2.9373	H	1	noname	0.0756
25	H9     1.1774     1.1519    -3.4089	H	1	noname	0.0848
@<TRIPOS>BOND
1	1	3	2
2	1	4	2
3	1	5	1
4	1	8	1
5	2	14	1
6	2	15	1
7	5	14	1
8	5	19	1
9	6	11	1
10	6	22	1
11	6	23	1
12	7	14	2
13	7	16	1
14	8	9	2
15	8	10	1
16	9	12	1
17	9	17	1
18	10	13	2
19	10	18	1
20	11	12	2
21	11	13	1
22	12	20	1
23	13	21	1
24	15	16	2
25	15	24	1
26	16	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1