@<TRIPOS>MOLECULE
101766266
25 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.4531    -1.6742    -0.7967	S	1	noname	-0.0484
2	O1    -0.3897     4.3169     0.5615	O.3	1	noname	-0.2779
3	O2    -1.5004    -3.3636    -0.7974	O.3	1	noname	-0.1403
4	O3    -1.0686    -1.1542    -2.2492	O.2	1	noname	-0.1602
5	O4    -2.8808    -1.1043    -0.3904	O.2	1	noname	-0.1602
6	N1    -0.3040    -1.1466     0.3094	N.3	1	noname	0.0976
7	C1    -0.3250     0.1918     0.3712	C.2	1	noname	-0.0331
8	C2    -0.3686     2.9685     0.4993	C.2	1	noname	-0.0105
9	C3     0.4853     0.9394    -0.4754	C.2	1	noname	-0.0314
10	C4    -1.1571     0.8326     1.2818	C.2	1	noname	-0.0314
11	C5     0.4635     2.3278    -0.4113	C.2	1	noname	-0.0268
12	C6    -1.1789     2.2210     1.3458	C.2	1	noname	-0.0268
13	C7     0.5816     4.7629     1.4964	C.3	1	noname	0.0505
14	C8     0.5576     6.2911     1.5669	C.3	1	noname	-0.0410
15	H1     1.0959     0.4692    -1.1436	H	1	noname	0.0640
16	H2    -1.7517     0.2840     1.9030	H	1	noname	0.0640
17	H3     1.0581     2.8764    -1.0325	H	1	noname	0.0650
18	H4    -1.7895     2.6912     2.0140	H	1	noname	0.0650
19	H5    -0.5050    -1.5138     1.1844	H	1	noname	0.1525
20	H6     0.3557     4.3503     2.4797	H	1	noname	0.0568
21	H7     1.5700     4.4292     1.1806	H	1	noname	0.0568
22	H8     1.3031     6.6335     2.2846	H	1	noname	0.0254
23	H9    -0.4308     6.6248     1.8828	H	1	noname	0.0254
24	H10     0.7834     6.7038     0.5837	H	1	noname	0.0254
25	H11    -1.5095    -3.6905     0.1264	H	1	noname	0.2398
@<TRIPOS>BOND
1	1	3	1
2	1	4	2
3	1	5	2
4	1	6	1
5	2	8	1
6	2	13	1
7	3	25	1
8	6	7	1
9	6	19	1
10	7	9	2
11	7	10	1
12	8	11	2
13	8	12	1
14	9	11	1
15	9	15	1
16	10	12	2
17	10	16	1
18	11	17	1
19	12	18	1
20	13	14	1
21	13	20	1
22	13	21	1
23	14	22	1
24	14	23	1
25	14	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1