@<TRIPOS>MOLECULE
73425403
38 42 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -4.4511     2.5779    -4.0724	O.3	1	noname	-0.2430
2	O2    -2.8599     2.1037    -5.7434	O.3	1	noname	-0.2447
3	N1     0.2521     2.8204    -0.2198	N.3	1	noname	-0.2986
4	C1    -1.0717     2.1457    -0.3795	C.3	1	noname	0.0396
5	C2    -1.5401     2.2887    -1.8052	C.2	1	noname	-0.0395
6	C3    -2.0349     2.6854     0.7117	C.3	1	noname	0.0221
7	C4    -0.5460     2.1310    -2.8385	C.2	1	noname	-0.0433
8	C5    -2.9028     2.5594    -2.1316	C.2	1	noname	0.0080
9	C6     1.3201     2.2445    -1.0811	C.3	1	noname	0.0026
10	C7     0.9195     2.1175    -2.5724	C.3	1	noname	0.0163
11	C8    -3.4039     3.0318     0.2733	C.2	1	noname	-0.0360
12	C9    -3.8344     2.9691    -1.0995	C.2	1	noname	-0.0400
13	C10    -3.2225     2.4490    -3.5168	C.2	1	noname	0.0332
14	C11    -0.9150     2.0448    -4.1992	C.2	1	noname	-0.0214
15	C12    -2.2826     2.1818    -4.5113	C.2	1	noname	0.0327
16	C13     0.1100     4.2467    -0.5077	C.3	1	noname	-0.0127
17	C14    -4.2859     3.4883     1.3001	C.2	1	noname	-0.0574
18	C15    -5.1720     3.3905    -1.4249	C.2	1	noname	-0.0421
19	C16    -4.2405     2.4260    -5.4788	C.3	1	noname	0.1587
20	C17    -5.6128     3.8792     0.9445	C.2	1	noname	-0.0557
21	C18    -6.0540     3.8348    -0.4099	C.2	1	noname	-0.0622
22	H1    -0.9423     1.0688    -0.1729	H	1	noname	0.0521
23	H2    -2.0863     1.9733     1.5353	H	1	noname	0.0335
24	H3    -1.6289     3.5987     1.1468	H	1	noname	0.0335
25	H4     1.6079     1.2657    -0.6975	H	1	noname	0.0434
26	H5     2.2123     2.8680    -1.0233	H	1	noname	0.0434
27	H6     1.3563     1.2102    -2.9899	H	1	noname	0.0329
28	H7     1.3371     2.9408    -3.1519	H	1	noname	0.0329
29	H8    -0.2185     1.8894    -4.9280	H	1	noname	0.0654
30	H9     1.0756     4.7388    -0.3913	H	1	noname	0.0394
31	H10    -0.6081     4.6872     0.1839	H	1	noname	0.0394
32	H11    -0.2434     4.3775    -1.5305	H	1	noname	0.0394
33	H12    -3.9736     3.5343     2.2700	H	1	noname	0.0625
34	H13    -5.4871     3.3688    -2.3948	H	1	noname	0.0629
35	H14    -4.8789     1.6279    -5.8577	H	1	noname	0.0892
36	H15    -4.4484     3.3879    -5.9474	H	1	noname	0.0892
37	H16    -6.2548     4.1952     1.6714	H	1	noname	0.0622
38	H17    -7.0032     4.1226    -0.6478	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	13	1
2	1	19	1
3	2	15	1
4	2	19	1
5	3	4	1
6	3	9	1
7	3	16	1
8	4	5	1
9	4	6	1
10	4	22	1
11	5	7	1
12	5	8	2
13	6	11	1
14	6	23	1
15	6	24	1
16	7	10	1
17	7	14	2
18	8	12	1
19	8	13	1
20	9	10	1
21	9	25	1
22	9	26	1
23	10	27	1
24	10	28	1
25	11	12	1
26	11	17	2
27	12	18	2
28	13	15	2
29	14	15	1
30	14	29	1
31	16	30	1
32	16	31	1
33	16	32	1
34	17	20	1
35	17	33	1
36	18	21	1
37	18	34	1
38	19	35	1
39	19	36	1
40	20	21	2
41	20	37	1
42	21	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1