@<TRIPOS>MOLECULE
DB04742
35 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -2.5308    -5.5464    -1.8196	S.3	1	noname	-0.1326
2	C1    -3.3835    -3.9189    -1.6151	C.3	1	noname	0.1183
3	C2    -3.8747    -6.7971    -1.5693	C.3	1	noname	0.0012
4	N1    -4.6266    -3.9517    -2.2477	N.2	1	noname	-0.2167
5	C3    -2.6190    -2.6094    -1.7822	C.3	1	noname	0.1013
6	C4    -5.3155    -6.2160    -1.5427	C.3	1	noname	0.0045
7	C5    -5.4560    -4.9433    -2.2345	C.2	1	noname	0.1161
8	N2    -3.6592    -1.5860    -1.5427	N.3	1	noname	-0.0696
9	C6    -1.5062    -2.6556    -0.7035	C.2	1	noname	0.1372
10	C7    -6.5980    -4.7770    -2.9541	C.2	1	noname	0.1225
11	C8    -3.1234    -0.2893    -1.8981	C.2	1	noname	0.0434
12	O1    -0.3331    -2.6049    -1.0347	O.2	1	noname	-0.2985
13	O2    -6.5946    -4.0537    -3.9735	O.2	1	noname	-0.2497
14	O3    -7.7353    -5.3931    -2.5673	O.3	1	noname	-0.2121
15	O4    -1.9997    -0.1153    -2.4172	O.2	1	noname	-0.2943
16	C9    -4.0874     0.8334    -1.5656	C.3	1	noname	0.0558
17	C10    -3.3131     2.0487    -1.7810	C.2	1	noname	0.0182
18	S2    -1.9051     2.6213    -0.8920	S.3	1	noname	-0.2228
19	C11    -3.5384     3.0279    -2.7514	C.2	1	noname	-0.0219
20	C12    -1.6205     4.1257    -1.7616	C.2	1	noname	0.0103
21	C13    -2.6408     4.1159    -2.7292	C.2	1	noname	-0.0267
22	H1    -3.7450    -3.5798    -0.6443	H	1	noname	0.0690
23	H2    -3.9108    -7.4549    -2.4376	H	1	noname	0.0385
24	H3    -3.7815    -7.2197    -0.5689	H	1	noname	0.0385
25	H4    -2.1680    -2.3929    -2.7506	H	1	noname	0.0580
26	H5    -5.9472    -6.9036    -2.1050	H	1	noname	0.0342
27	H6    -5.5487    -5.9886    -0.5025	H	1	noname	0.0342
28	H7    -4.5919    -1.7477    -1.1907	H	1	noname	0.1318
29	H8    -1.5526    -2.7303     0.3829	H	1	noname	0.1060
30	H9    -7.7769    -5.4156    -1.6085	H	1	noname	0.2217
31	H10    -4.8912     0.8277    -2.3018	H	1	noname	0.0419
32	H11    -4.3218     0.7838    -0.5023	H	1	noname	0.0419
33	H12    -4.3529     2.9489    -3.4715	H	1	noname	0.0634
34	H13    -0.9098     4.9503    -1.7081	H	1	noname	0.0739
35	H14    -2.7337     4.9326    -3.4451	H	1	noname	0.0631
@<TRIPOS>BOND
1	2	1	1
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	1
6	4	7	2
7	5	8	1
8	5	9	1
9	6	7	1
10	7	10	1
11	8	11	1
12	9	12	2
13	10	13	2
14	10	14	1
15	11	15	2
16	11	16	1
17	16	17	1
18	17	18	1
19	17	19	2
20	18	20	1
21	19	21	1
22	20	21	2
23	2	22	1
24	3	23	1
25	3	24	1
26	5	25	1
27	6	26	1
28	6	27	1
29	8	28	1
30	9	29	1
31	14	30	1
32	16	31	1
33	16	32	1
34	19	33	1
35	20	34	1
36	21	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1