@<TRIPOS>MOLECULE
50342306
37 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     0.3279    -0.0415     0.4695	S.3	1	noname	-0.1801
2	C1     1.5942    -0.4365    -0.7027	C.2	1	noname	0.0902
3	C2    -1.0077     0.5316    -0.5365	C.2	1	noname	0.0219
4	N1     2.8300    -0.9156    -0.5057	N.3	1	noname	-0.1109
5	C3     0.9379    -0.1063    -1.8933	C.2	1	noname	0.0390
6	C4    -0.3873     0.3855    -1.7900	C.2	1	noname	0.0089
7	C5     3.4905    -0.6218     0.6226	C.2	1	noname	0.1355
8	C6     1.5602    -0.2545    -3.1274	C.2	1	noname	0.0210
9	O1     2.9539     0.0993     1.4913	O.2	1	noname	-0.2738
10	C7     4.8370    -1.1438     0.8373	C.3	1	noname	0.0467
11	O2     0.9500     0.0484    -4.1754	O.2	1	noname	-0.2949
12	N2     2.8142    -0.7221    -3.1935	N.3	1	noname	-0.0860
13	C8     5.3364    -0.6851     2.1302	C.2	1	noname	-0.0622
14	C9     6.6061    -1.0570     2.5566	C.2	1	noname	-0.0451
15	C10     4.5422     0.1235     2.9349	C.2	1	noname	-0.0451
16	C11     7.0815    -0.6203     3.7875	C.2	1	noname	-0.0287
17	C12     5.0176     0.5602     4.1659	C.2	1	noname	-0.0287
18	C13     6.2873     0.1883     4.5922	C.2	1	noname	0.0001
19	O3     6.7491     0.6124     5.7878	O.3	1	noname	-0.2753
20	C14     7.4262     1.8495     5.6219	C.3	1	noname	0.0505
21	C15     7.9495     2.3302     6.9769	C.3	1	noname	-0.0410
22	H1    -2.0236     0.9052    -0.4080	H	1	noname	0.0740
23	H2     3.2636    -1.4983    -1.2076	H	1	noname	0.1379
24	H3    -0.9391     0.6561    -2.6902	H	1	noname	0.0640
25	H4     4.7476    -2.2283     0.9012	H	1	noname	0.0411
26	H5     5.4741    -0.6935     0.0761	H	1	noname	0.0411
27	H6     2.9812    -1.7179    -3.2184	H	1	noname	0.1274
28	H7     3.5924    -0.0788    -3.2184	H	1	noname	0.1274
29	H8     7.2289    -1.6911     1.9256	H	1	noname	0.0626
30	H9     3.5465     0.4151     2.6006	H	1	noname	0.0626
31	H10     8.0772    -0.9119     4.1219	H	1	noname	0.0650
32	H11     4.3948     1.1942     4.7969	H	1	noname	0.0650
33	H12     8.2846     1.6283     4.9875	H	1	noname	0.0568
34	H13     6.6661     2.5540     5.2842	H	1	noname	0.0568
35	H14     8.1901     1.4687     7.5998	H	1	noname	0.0254
36	H15     8.8458     2.9321     6.8274	H	1	noname	0.0254
37	H16     7.1854     2.9321     7.4687	H	1	noname	0.0254
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	2
5	3	6	2
6	4	7	1
7	5	8	1
8	5	6	1
9	7	9	2
10	7	10	1
11	8	11	2
12	8	12	1
13	10	13	1
14	13	14	2
15	13	15	1
16	14	16	1
17	15	17	2
18	16	18	2
19	17	18	1
20	18	19	1
21	19	20	1
22	20	21	1
23	3	22	1
24	4	23	1
25	6	24	1
26	10	25	1
27	10	26	1
28	12	27	1
29	12	28	1
30	14	29	1
31	15	30	1
32	16	31	1
33	17	32	1
34	20	33	1
35	20	34	1
36	21	35	1
37	21	36	1
38	21	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1