@<TRIPOS>MOLECULE
119026156
24 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.5546     4.0145     0.2637	S	1	noname	-0.0457
2	O1     1.9458    -3.6073    -0.2143	O.3	1	noname	-0.2704
3	O2    -1.0382     4.3436     1.8493	O.3	1	noname	-0.1486
4	O3    -1.8286     4.0036    -0.6875	O.2	1	noname	-0.1687
5	O4     0.4615     5.1359    -0.2240	O.2	1	noname	-0.1687
6	O5     3.8364    -2.3074     0.7219	O.2	1	noname	-0.1783
7	N1     3.3801    -1.3457     0.2485	N.2	1	noname	-0.0526
8	C1     0.0941     0.0818    -0.0775	C.2	1	noname	-0.0096
9	C2     1.4675    -0.0141     0.1144	C.2	1	noname	0.0515
10	C3     0.2211     2.4691     0.2064	C.2	1	noname	0.0321
11	C4    -0.5291     1.3234    -0.0315	C.2	1	noname	0.0366
12	C5     2.2176     1.1317     0.3523	C.2	1	noname	0.0006
13	C6     2.0907    -1.2557     0.0683	C.2	1	noname	0.0622
14	C7     1.5944     2.3733     0.3983	C.2	1	noname	0.0314
15	C8    -0.6560    -1.0640    -0.3154	C.2	1	noname	-0.0129
16	C9     1.3405    -2.4014    -0.1696	C.2	1	noname	0.0708
17	C10    -0.0328    -2.3056    -0.3615	C.2	1	noname	-0.0064
18	H1    -1.5369     1.3937    -0.1723	H	1	noname	0.0646
19	H2     3.2254     1.0614     0.4931	H	1	noname	0.0630
20	H3     2.1449     3.2141     0.5729	H	1	noname	0.0640
21	H4    -1.6638    -0.9937    -0.4562	H	1	noname	0.0630
22	H5    -0.5833    -3.1464    -0.5361	H	1	noname	0.0651
23	H6     1.2773    -4.3020    -0.3901	H	1	noname	0.2182
24	H7    -0.2464     4.4637     2.4141	H	1	noname	0.2388
@<TRIPOS>BOND
1	1	3	1
2	1	4	2
3	1	5	2
4	1	10	1
5	2	16	1
6	2	23	1
7	3	24	1
8	6	7	2
9	7	13	1
10	8	9	2
11	8	11	1
12	8	15	1
13	9	12	1
14	9	13	1
15	10	11	2
16	10	14	1
17	11	18	1
18	12	14	2
19	12	19	1
20	13	16	2
21	14	20	1
22	15	17	2
23	15	21	1
24	16	17	1
25	17	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1