@<TRIPOS>MOLECULE
50389045
40 43 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.9110     5.7355    -2.5928	O.2	1	noname	-0.2904
2	C1     5.0095     4.5109    -2.3622	C.2	1	noname	0.0582
3	N1     5.6708     4.0687    -1.2410	N.3	1	noname	0.0397
4	C2     4.4439     3.5745    -3.2490	C.2	1	noname	0.0684
5	C3     5.8041     2.7390    -0.9264	C.2	1	noname	-0.0088
6	C4     4.6192     2.2048    -2.8918	C.2	1	noname	-0.0240
7	N2     5.2709     1.8314    -1.7590	N.2	1	noname	-0.2272
8	C5     6.5084     2.2052     0.2460	C.3	1	noname	0.0569
9	N3     4.2710     1.1711    -3.6666	N.3	1	noname	-0.1067
10	C6     5.6068     1.3604     1.0432	C.2	1	noname	-0.0351
11	C7     2.9496     0.5745    -3.5976	C.3	1	noname	0.0281
12	C8     5.3570     0.5340    -4.3838	C.3	1	noname	0.0281
13	N4     4.8195     1.8593     2.0157	N.2	1	noname	-0.2262
14	N5     5.4354     0.0316     0.8681	N.3	1	noname	-0.0357
15	C9     2.9893    -1.0034    -3.7175	C.3	1	noname	0.0599
16	C10     5.5025    -0.9340    -3.8552	C.3	1	noname	0.0599
17	C11     4.1190     0.8216     2.4798	C.2	1	noname	0.0097
18	C12     4.5021    -0.3329     1.7611	C.2	1	noname	-0.0567
19	O2     4.2742    -1.6613    -3.5118	O.3	1	noname	-0.3786
20	C13     3.1418     0.7812     3.5152	C.2	1	noname	-0.0108
21	C14     3.9391    -1.6113     2.0236	C.2	1	noname	-0.0337
22	C15     2.5716    -0.4970     3.7932	C.2	1	noname	-0.0440
23	C16     2.9607    -1.6686     3.0649	C.2	1	noname	-0.0475
24	H1     6.0778     4.7527    -0.6193	H	1	noname	0.1386
25	H2     3.9096     3.8871    -4.1462	H	1	noname	0.0708
26	H3     7.2934     1.5514    -0.1340	H	1	noname	0.0422
27	H4     6.7665     3.0610     0.8698	H	1	noname	0.0422
28	H5     2.5906     0.8219    -2.5986	H	1	noname	0.0459
29	H6     2.4300     0.9605    -4.4746	H	1	noname	0.0459
30	H7     5.0383     0.4930    -5.4254	H	1	noname	0.0459
31	H8     6.2554     1.0872    -4.1101	H	1	noname	0.0459
32	H9     5.9081    -0.5666     0.2056	H	1	noname	0.1540
33	H10     2.3744    -1.3952    -2.9072	H	1	noname	0.0580
34	H11     2.7463    -1.2456    -4.7521	H	1	noname	0.0580
35	H12     5.9234    -1.5150    -4.6758	H	1	noname	0.0580
36	H13     6.0343    -0.8668    -2.9061	H	1	noname	0.0580
37	H14     2.8474     1.6764     4.0631	H	1	noname	0.0645
38	H15     4.2397    -2.4947     1.4602	H	1	noname	0.0643
39	H16     1.8217    -0.5802     4.5798	H	1	noname	0.0623
40	H17     2.5014    -2.6266     3.3089	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	2
6	5	7	2
7	5	8	1
8	6	9	1
9	6	7	1
10	8	10	1
11	9	11	1
12	9	12	1
13	10	13	2
14	10	14	1
15	11	15	1
16	12	16	1
17	13	17	1
18	14	18	1
19	15	19	1
20	16	19	1
21	17	20	1
22	17	18	2
23	18	21	1
24	20	22	2
25	21	23	2
26	22	23	1
27	3	24	1
28	4	25	1
29	8	26	1
30	8	27	1
31	11	28	1
32	11	29	1
33	12	30	1
34	12	31	1
35	14	32	1
36	15	33	1
37	15	34	1
38	16	35	1
39	16	36	1
40	20	37	1
41	21	38	1
42	22	39	1
43	23	40	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1