@<TRIPOS>MOLECULE
DB07390
37 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.1039     0.1143    -0.4967	S.3	1	noname	-0.1032
2	C1     1.6064    -0.0605    -0.0898	C.2	1	noname	0.1363
3	C2    -0.4437     1.7922    -0.0432	C.2	1	noname	0.1407
4	S2     2.6893    -1.4021    -0.2324	S.3	1	noname	-0.0465
5	N1     1.7923     1.2013     0.3710	N.2	1	noname	-0.1310
6	N2     0.8090     2.0879     0.3927	N.2	1	noname	-0.1235
7	N3    -1.5632     2.5257    -0.1082	N.3	1	noname	-0.0833
8	C3    -1.5548     3.7993     0.3082	C.2	1	noname	0.0522
9	O1    -0.5026     4.3031     0.7574	O.2	1	noname	-0.2718
10	N4    -2.6742     4.5329     0.2432	N.3	1	noname	-0.0484
11	C4    -2.6654     5.8730     0.6815	C.3	1	noname	0.0930
12	C5    -4.0590     6.4781     0.5003	C.2	1	noname	0.0453
13	C6    -1.6982     6.6352    -0.1030	C.3	1	noname	-0.0034
14	O2    -5.0403     5.9745     1.0885	O.2	1	noname	-0.2909
15	N5    -4.2276     7.5478    -0.2889	N.3	1	noname	-0.0768
16	C7    -1.6891     8.0229     0.3508	C.2	1	noname	-0.0541
17	C8    -5.5118     8.1054    -0.4558	C.3	1	noname	-0.0088
18	C9    -0.8416     8.9455    -0.2514	C.2	1	noname	-0.0567
19	C10    -2.5279     8.4214     1.3851	C.2	1	noname	-0.0567
20	C11    -0.8329    10.2666     0.1806	C.2	1	noname	-0.0604
21	C12    -2.5192     9.7426     1.8171	C.2	1	noname	-0.0604
22	C13    -1.6717    10.6651     1.2148	C.2	1	noname	-0.0616
23	H1     3.0292    -1.8231     0.9716	H	1	noname	0.1103
24	H2    -2.4133     2.1187    -0.4711	H	1	noname	0.1409
25	H3    -3.5022     4.0878    -0.1261	H	1	noname	0.1332
26	H4    -2.3427     5.8530     1.7224	H	1	noname	0.0570
27	H5    -0.7148     6.2235     0.1239	H	1	noname	0.0337
28	H6    -2.0623     6.6425    -1.1303	H	1	noname	0.0337
29	H7    -3.4088     7.9236    -0.7455	H	1	noname	0.1306
30	H8    -5.9544     8.2975     0.5216	H	1	noname	0.0396
31	H9    -5.4326     9.0412    -1.0091	H	1	noname	0.0396
32	H10    -6.1414     7.4084    -1.0091	H	1	noname	0.0396
33	H11    -0.1839     8.6329    -1.0625	H	1	noname	0.0625
34	H12    -3.1924     7.6980     1.8574	H	1	noname	0.0625
35	H13    -0.1683    10.9900    -0.2917	H	1	noname	0.0622
36	H14    -3.1769    10.0551     2.6281	H	1	noname	0.0622
37	H15    -1.6648    11.7011     1.5536	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	2
5	3	6	2
6	3	7	1
7	5	6	1
8	7	8	1
9	8	9	2
10	8	10	1
11	11	10	1
12	11	12	1
13	11	13	1
14	12	14	2
15	12	15	1
16	13	16	1
17	15	17	1
18	16	18	2
19	16	19	1
20	18	20	1
21	19	21	2
22	20	22	2
23	21	22	1
24	4	23	1
25	7	24	1
26	10	25	1
27	11	26	1
28	13	27	1
29	13	28	1
30	15	29	1
31	17	30	1
32	17	31	1
33	17	32	1
34	18	33	1
35	19	34	1
36	20	35	1
37	21	36	1
38	22	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1