@<TRIPOS>MOLECULE
DB00814
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.6860     1.9943    -0.6200	S	1	noname	-0.0841
2	O1     2.3188     1.2332     0.7440	O.2	1	noname	-0.1928
3	O2     3.8855     1.2502    -1.3851	O.2	1	noname	-0.1928
4	N1     1.3016     2.0386    -1.6392	N.3	1	noname	0.1092
5	C1     3.0697     3.6910    -0.2930	C.2	1	noname	0.0424
6	C2     0.7845     3.1767    -2.0990	C.2	1	noname	0.0671
7	C3     0.2772     1.2511    -1.0749	C.3	1	noname	0.0106
8	C4     2.3032     4.7044    -0.9661	C.2	1	noname	0.0433
9	C5     4.0744     4.0233     0.6544	C.2	1	noname	0.0206
10	C6     1.2643     4.3949    -1.8096	C.2	1	noname	0.0231
11	C7    -0.3619     3.2292    -2.9312	C.2	1	noname	0.1245
12	C8     2.5486     6.0884    -0.7085	C.2	1	noname	-0.0115
13	C9     4.3054     5.4053     0.9070	C.2	1	noname	-0.0306
14	O3     0.6703     5.4133    -2.4032	O.3	1	noname	-0.2768
15	O4    -1.0857     4.2398    -3.0623	O.2	1	noname	-0.2652
16	N2    -0.5878     2.0066    -3.5928	N.3	1	noname	-0.0893
17	C10     3.5614     6.4207     0.2364	C.2	1	noname	-0.0220
18	C11    -1.3222     1.9413    -4.7271	C.2	1	noname	0.0886
19	S2    -1.6830     0.4991    -5.6745	S.3	1	noname	-0.1758
20	N3    -1.9035     2.9321    -5.4503	N.2	1	noname	-0.2043
21	C12    -2.4160     1.2668    -7.0774	C.2	1	noname	0.0501
22	C13    -2.4832     2.5969    -6.6439	C.2	1	noname	0.0279
23	C14    -2.8383     0.6789    -8.3454	C.3	1	noname	0.0329
24	H1     0.3393     1.2988     0.0123	H	1	noname	0.0413
25	H2    -0.6922     1.6284    -1.4003	H	1	noname	0.0413
26	H3     0.3926     0.2172    -1.4003	H	1	noname	0.0413
27	H4     4.6452     3.2490     1.1670	H	1	noname	0.0639
28	H5     1.9805     6.8671    -1.2173	H	1	noname	0.0630
29	H6     5.0689     5.6924     1.6300	H	1	noname	0.0623
30	H7     0.3211     6.0118    -1.7388	H	1	noname	0.2183
31	H8    -0.2072     1.1405    -3.2391	H	1	noname	0.1398
32	H9     3.7705     7.4690     0.4497	H	1	noname	0.0622
33	H10    -2.9835     3.3664    -7.2318	H	1	noname	0.0851
34	H11    -2.8126    -0.4081    -8.2683	H	1	noname	0.0288
35	H12    -3.8532     1.0029    -8.5759	H	1	noname	0.0288
36	H13    -2.1644     1.0029    -9.1384	H	1	noname	0.0288
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	1	5	1
5	4	6	1
6	4	7	1
7	5	8	2
8	5	9	1
9	6	10	2
10	6	11	1
11	8	12	1
12	8	10	1
13	9	13	2
14	10	14	1
15	11	15	2
16	11	16	1
17	12	17	2
18	13	17	1
19	16	18	1
20	18	19	1
21	18	20	2
22	19	21	1
23	20	22	1
24	21	23	1
25	21	22	2
26	7	24	1
27	7	25	1
28	7	26	1
29	9	27	1
30	12	28	1
31	13	29	1
32	14	30	1
33	16	31	1
34	17	32	1
35	22	33	1
36	23	34	1
37	23	35	1
38	23	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1