@<TRIPOS>MOLECULE
121225692
39 42 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.4238     4.3693    -2.1054	O.3	1	noname	-0.3946
2	N1     0.0059     1.4239    -0.0110	N.3	1	noname	-0.0244
3	N2     0.6179     0.2117     1.7422	N.2	1	noname	-0.2269
4	N3     1.3820     1.3459     5.5028	N.3	1	noname	-0.0325
5	N4     2.3208     0.9585     3.5490	N.2	1	noname	-0.2283
6	C1     0.2824     0.1662    -0.4199	C.2	1	noname	-0.0586
7	C2    -0.4003     2.5118    -0.8107	C.3	1	noname	-0.0353
8	C3     0.2019     1.4191     1.3320	C.2	1	noname	-0.0246
9	C4     0.7375    -0.5701     0.6904	C.2	1	noname	0.0080
10	C5     0.1417    -0.4639    -1.6906	C.2	1	noname	-0.0349
11	C6     0.8330     3.2737    -1.3000	C.3	1	noname	0.0593
12	C7    -0.0474     2.4110     2.2650	C.2	1	noname	0.0123
13	C8     1.1835    -1.9154     0.6318	C.2	1	noname	-0.0107
14	C9     1.3262     1.6174     4.1793	C.2	1	noname	-0.0295
15	C10     0.4093     2.4606     3.5354	C.2	1	noname	0.0111
16	C11     2.3987     0.4833     5.7008	C.2	1	noname	-0.0622
17	C12     0.5342    -1.8398    -1.7763	C.2	1	noname	-0.0475
18	C13     3.0010     0.2436     4.4461	C.2	1	noname	0.0068
19	C14     1.0666    -2.5394    -0.6434	C.2	1	noname	-0.0439
20	C15     2.9587    -0.0281     6.9038	C.2	1	noname	-0.0361
21	C16     4.2082    -0.4908     4.3012	C.2	1	noname	-0.0110
22	C17     4.1836    -0.7798     6.7934	C.2	1	noname	-0.0478
23	C18     4.8041    -0.9988     5.5081	C.2	1	noname	-0.0440
24	H1    -1.0304     3.1795    -0.2230	H	1	noname	0.0497
25	H2    -0.9630     2.1424    -1.6681	H	1	noname	0.0497
26	H3    -0.2208     0.0400    -2.5000	H	1	noname	0.0643
27	H4    -0.6203     3.1627     1.9703	H	1	noname	0.0660
28	H5     1.3956     3.6432    -0.4427	H	1	noname	0.0580
29	H6     1.4630     2.6061    -1.8877	H	1	noname	0.0580
30	H7     1.5612    -2.4014     1.4451	H	1	noname	0.0645
31	H8     0.0454     3.1957     4.0899	H	1	noname	0.0660
32	H9     0.4324    -2.3326    -2.6635	H	1	noname	0.0623
33	H10     1.3690    -3.5073    -0.7534	H	1	noname	0.0623
34	H11     0.7960     1.7068     6.1864	H	1	noname	0.1543
35	H12     2.5122     0.1305     7.8071	H	1	noname	0.0643
36	H13     4.6316    -0.6500     3.3870	H	1	noname	0.0645
37	H14     4.6175    -1.1618     7.6337	H	1	noname	0.0623
38	H15     5.6782    -1.5217     5.4551	H	1	noname	0.0623
39	H16     1.2138     4.8574    -2.4188	H	1	noname	0.2100
@<TRIPOS>BOND
1	1	11	1
2	1	39	1
3	2	6	1
4	2	7	1
5	2	8	1
6	3	8	2
7	3	9	1
8	4	14	1
9	4	16	1
10	4	34	1
11	5	14	2
12	5	18	1
13	6	9	1
14	6	10	2
15	7	11	1
16	7	24	1
17	7	25	1
18	8	12	1
19	9	13	2
20	10	17	1
21	10	26	1
22	11	28	1
23	11	29	1
24	12	15	2
25	12	27	1
26	13	19	1
27	13	30	1
28	14	15	1
29	15	31	1
30	16	18	1
31	16	20	2
32	17	19	2
33	17	32	1
34	18	21	2
35	19	33	1
36	20	22	1
37	20	35	1
38	21	23	1
39	21	36	1
40	22	23	2
41	22	37	1
42	23	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1