@<TRIPOS>MOLECULE
50394887
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     5.7873    -4.3506    -0.0000	O.3	1	noname	-0.2855
2	C1     4.4936    -3.9647    -0.0000	C.2	1	noname	-0.0038
3	C2     4.1717    -2.6125    -0.0000	C.2	1	noname	-0.0304
4	C3     3.4836    -4.9196    -0.0000	C.2	1	noname	-0.0544
5	C4     2.8397    -2.2152    -0.0000	C.2	1	noname	-0.0226
6	C5     2.1516    -4.5223    -0.0000	C.2	1	noname	-0.0539
7	N1     2.5109    -0.8338    -0.0000	N.3	1	noname	0.0072
8	C6     1.8296    -3.1701    -0.0000	C.2	1	noname	-0.0697
9	C7     1.4299     0.0133     0.0000	C.2	1	noname	0.0496
10	N2     2.0084     1.2579     0.0000	N.2	1	noname	-0.2527
11	C8    -0.0272    -0.1008     0.0000	C.2	1	noname	-0.0004
12	C9     1.3333     2.4432    -0.0000	C.2	1	noname	-0.0002
13	C10    -0.8535    -1.3159     0.0000	C.2	1	noname	0.0271
14	C11    -0.7189     1.1578     0.0000	C.2	1	noname	-0.0198
15	C12    -0.0744     2.4236     0.0000	C.2	1	noname	-0.0468
16	N3    -2.2525    -1.2766    -0.0000	N.2	1	noname	-0.2620
17	C13    -0.2626    -2.6150     0.0000	C.2	1	noname	-0.0090
18	C14    -3.1099    -2.3645    -0.0000	C.2	1	noname	0.0544
19	C15    -1.1081    -3.7483    -0.0000	C.2	1	noname	0.0386
20	N4    -2.4709    -3.5867    -0.0000	N.2	1	noname	-0.2520
21	C16    -4.5637    -2.2291    -0.0000	C.3	1	noname	0.0669
22	N5    -0.5790    -4.9794    -0.0000	N.3	1	noname	-0.1161
23	H1     6.0940    -4.4421     0.9051	H	1	noname	0.2181
24	H2     4.9638    -1.8637    -0.0000	H	1	noname	0.0666
25	H3     3.7360    -5.9800    -0.0000	H	1	noname	0.0650
26	H4     1.3595    -5.2711    -0.0000	H	1	noname	0.0624
27	H5     3.3343    -0.2489    -0.0000	H	1	noname	0.1357
28	H6     0.7851    -2.8585    -0.0000	H	1	noname	0.0639
29	H7     1.8997     3.3745    -0.0000	H	1	noname	0.0839
30	H8    -1.8088     1.1518     0.0000	H	1	noname	0.0631
31	H9    -0.6437     3.3532     0.0000	H	1	noname	0.0639
32	H10     0.8202    -2.7400     0.0000	H	1	noname	0.0679
33	H11    -4.9254    -2.1954     1.0277	H	1	noname	0.0312
34	H12    -4.8429    -1.3092    -0.5138	H	1	noname	0.0312
35	H13    -5.0080    -3.0815    -0.5138	H	1	noname	0.0312
36	H14    -1.1832    -5.7887    -0.0000	H	1	noname	0.1257
37	H15     0.4240    -5.0980    -0.0000	H	1	noname	0.1257
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	2
6	5	7	1
7	5	8	2
8	6	8	1
9	7	9	1
10	9	10	2
11	9	11	1
12	10	12	1
13	11	13	1
14	11	14	2
15	12	15	2
16	13	16	2
17	13	17	1
18	14	15	1
19	16	18	1
20	17	19	2
21	18	20	2
22	18	21	1
23	19	22	1
24	19	20	1
25	1	23	1
26	3	24	1
27	4	25	1
28	6	26	1
29	7	27	1
30	8	28	1
31	12	29	1
32	14	30	1
33	15	31	1
34	17	32	1
35	21	33	1
36	21	34	1
37	21	35	1
38	22	36	1
39	22	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1