@<TRIPOS>MOLECULE
50315737
38 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.7768    -1.4844     2.6959	O.3	1	noname	-0.3786
2	C1    -1.8277    -0.1335     2.1169	C.3	1	noname	0.0599
3	C2    -2.1639    -2.6732     1.9371	C.3	1	noname	0.0599
4	C3    -1.7479    -0.0714     0.5315	C.3	1	noname	0.0281
5	C4    -2.7007    -2.3811     0.5002	C.3	1	noname	0.0281
6	N1    -1.9105    -1.3566    -0.1006	N.3	1	noname	-0.0897
7	C5    -1.1626    -1.7368    -1.1496	C.2	1	noname	0.0411
8	N2    -0.0540    -2.4974    -0.8779	N.2	1	noname	-0.2678
9	C6    -1.5289    -1.4856    -2.4904	C.2	1	noname	-0.0402
10	C7     0.7217    -3.0559    -1.8488	C.2	1	noname	0.0636
11	C8    -0.7189    -2.0467    -3.4573	C.2	1	noname	0.0849
12	C9    -2.5469    -0.7889    -3.1320	C.2	1	noname	-0.0304
13	N3     0.3608    -2.8104    -3.1396	N.2	1	noname	-0.2580
14	C10     1.8277    -3.8383    -1.5376	C.2	1	noname	-0.0099
15	N4    -1.1875    -1.7116    -4.6668	N.3	1	noname	-0.0132
16	C11    -2.2897    -0.9521    -4.4923	C.2	1	noname	-0.1075
17	C12     2.5958    -4.3919    -2.5552	C.2	1	noname	0.0062
18	C13     2.1654    -4.0672    -0.2089	C.2	1	noname	-0.0332
19	C14     3.7018    -5.1743    -2.2441	C.2	1	noname	0.0106
20	C15     3.2714    -4.8496     0.1023	C.2	1	noname	-0.0397
21	O2     4.4478    -5.7120    -3.2324	O.3	1	noname	-0.2851
22	C16     4.0395    -5.4032    -0.9153	C.2	1	noname	-0.0156
23	H1    -2.8121     0.2380     2.4017	H	1	noname	0.0580
24	H2    -0.9302     0.3513     2.5009	H	1	noname	0.0580
25	H3    -1.2366    -3.2343     1.8215	H	1	noname	0.0580
26	H4    -2.9915    -3.0989     2.5046	H	1	noname	0.0580
27	H5    -2.6016     0.5072     0.1786	H	1	noname	0.0459
28	H6    -0.7359     0.2303     0.2616	H	1	noname	0.0459
29	H7    -2.5361    -3.2666    -0.1137	H	1	noname	0.0459
30	H8    -3.7009    -1.9568     0.5876	H	1	noname	0.0459
31	H9    -3.3656    -0.2368    -2.6704	H	1	noname	0.0644
32	H10    -0.7824    -1.9829    -5.5514	H	1	noname	0.1537
33	H11    -2.8752    -0.5391    -5.3138	H	1	noname	0.0789
34	H12     2.3310    -4.2125    -3.5972	H	1	noname	0.0657
35	H13     1.5630    -3.6331     0.5891	H	1	noname	0.0630
36	H14     3.5362    -5.0290     1.1443	H	1	noname	0.0623
37	H15     4.4075    -6.6697    -3.1790	H	1	noname	0.2181
38	H16     4.9068    -6.0167    -0.6713	H	1	noname	0.0650
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	5	6	1
7	6	7	1
8	7	8	2
9	7	9	1
10	8	10	1
11	9	11	2
12	9	12	1
13	10	13	2
14	10	14	1
15	11	15	1
16	11	13	1
17	12	16	2
18	14	17	2
19	14	18	1
20	15	16	1
21	17	19	1
22	18	20	2
23	19	21	1
24	19	22	2
25	20	22	1
26	2	23	1
27	2	24	1
28	3	25	1
29	3	26	1
30	4	27	1
31	4	28	1
32	5	29	1
33	5	30	1
34	12	31	1
35	15	32	1
36	16	33	1
37	17	34	1
38	18	35	1
39	20	36	1
40	21	37	1
41	22	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1