@<TRIPOS>MOLECULE
72941493
38 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.7691    -1.2494     4.2311	O.3	1	noname	0.0000
2	N1     0.8696     2.7937    -0.4560	N.2	1	noname	0.0000
3	C1     1.3978     3.4967    -1.6122	C.3	1	noname	0.0000
4	C2     2.9214     3.2301    -1.8384	C.3	1	noname	0.0000
5	C3     1.4626     5.0506    -1.6234	C.3	1	noname	0.0000
6	C4     3.6138     4.1653    -0.8396	C.3	1	noname	0.0000
7	C5     3.4129     1.7881    -1.6383	C.3	1	noname	0.0000
8	C6     2.7341     5.4223    -0.8423	C.3	1	noname	0.0000
9	C7     2.2872     0.9043    -1.0828	C.3	1	noname	0.0000
10	C8     1.3017     1.5619    -0.1800	C.2	1	noname	0.0000
11	C9    -0.1857     3.4242     0.2805	C.3	1	noname	0.0000
12	C10     0.7877     0.8121     0.9262	C.2	1	noname	0.0000
13	C11    -0.5277     2.8839     1.6920	C.3	1	noname	0.0000
14	C12    -0.0720     1.4842     1.8797	C.2	1	noname	0.0000
15	C13     1.0593    -0.5956     1.1205	C.2	1	noname	0.0000
16	C14    -0.5887     0.8033     3.0250	C.2	1	noname	0.0000
17	C15     0.5289    -1.2849     2.2361	C.2	1	noname	0.0000
18	C16    -0.2767    -0.5810     3.1665	C.2	1	noname	0.0000
19	H1     0.8606     3.1247    -2.4940	H	1	noname	0.0000
20	H2     3.2335     3.4922    -2.8519	H	1	noname	0.0000
21	H3     0.5898     5.4543    -1.1101	H	1	noname	0.0000
22	H4     1.5681     5.3923    -2.6531	H	1	noname	0.0000
23	H5     3.5986     3.7133     0.1521	H	1	noname	0.0000
24	H6     4.6527     4.3711    -1.0973	H	1	noname	0.0000
25	H7     3.7543     1.3850    -2.5918	H	1	noname	0.0000
26	H8     4.2532     1.8247    -0.9451	H	1	noname	0.0000
27	H9     2.4682     5.6819     0.1824	H	1	noname	0.0000
28	H10     3.2147     6.2647    -1.3398	H	1	noname	0.0000
29	H11     1.7605     0.4251    -1.9081	H	1	noname	0.0000
30	H12     2.7084     0.0396    -0.5700	H	1	noname	0.0000
31	H13    -1.0896     3.4481    -0.3282	H	1	noname	0.0000
32	H14     0.0392     4.4887     0.3464	H	1	noname	0.0000
33	H15    -1.6046     2.9398     1.8514	H	1	noname	0.0000
34	H16    -0.0610     3.4784     2.4774	H	1	noname	0.0000
35	H17     1.6388    -1.0958     0.4466	H	1	noname	0.0000
36	H18    -1.1597     1.2898     3.7162	H	1	noname	0.0000
37	H19     0.7237    -2.2772     2.3695	H	1	noname	0.0000
38	H20    -1.3024    -0.6389     4.7819	H	1	noname	0.0000
@<TRIPOS>BOND
1	1	18	1
2	1	38	1
3	2	3	1
4	2	10	2
5	2	11	1
6	3	4	1
7	3	5	1
8	3	19	1
9	4	6	1
10	4	7	1
11	4	20	1
12	5	8	1
13	5	21	1
14	5	22	1
15	6	8	1
16	6	23	1
17	6	24	1
18	7	9	1
19	7	25	1
20	7	26	1
21	8	27	1
22	8	28	1
23	9	10	1
24	9	29	1
25	9	30	1
26	10	12	1
27	11	13	1
28	11	31	1
29	11	32	1
30	12	14	2
31	12	15	1
32	13	14	1
33	13	33	1
34	13	34	1
35	14	16	1
36	15	17	2
37	15	35	1
38	16	18	2
39	16	36	1
40	17	18	1
41	17	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1