@<TRIPOS>MOLECULE
50341059
37 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.0060     5.5025    -3.7817	O.3	1	noname	-0.2855
2	C1     0.3789     4.7578    -2.7192	C.2	1	noname	-0.0033
3	C2     0.1216     3.3919    -2.7032	C.2	1	noname	-0.0286
4	C3     1.0200     5.3569    -1.6412	C.2	1	noname	-0.0528
5	C4     0.5055     2.6251    -1.6092	C.2	1	noname	-0.0217
6	C5     1.4039     4.5902    -0.5472	C.2	1	noname	-0.0534
7	N1     0.2574     1.3084    -1.5938	N.3	1	noname	0.0147
8	C6     1.1466     3.2243    -0.5312	C.2	1	noname	-0.0679
9	C7     0.7126     0.7815    -0.4489	C.2	1	noname	0.0107
10	N2     2.0020     0.8174    -0.0493	N.2	1	noname	-0.2338
11	N3    -0.0574     0.1432     0.4601	N.3	1	noname	-0.0012
12	C8     2.0608     0.1848     1.1391	C.2	1	noname	0.0067
13	C9    -1.3716    -0.0998     0.3636	C.2	1	noname	0.1089
14	C10     0.7490    -0.2014     1.4804	C.2	1	noname	-0.0681
15	C11     3.1756    -0.0589     1.9970	C.2	1	noname	-0.0099
16	N4    -1.9346    -0.2718    -0.8402	N.2	1	noname	-0.2054
17	N5    -2.1229    -0.1709     1.4709	N.2	1	noname	-0.2298
18	C12     0.4403    -0.8120     2.7370	C.2	1	noname	-0.0358
19	C13     2.8882    -0.7029     3.2359	C.2	1	noname	-0.0437
20	C14    -3.2488    -0.5148    -0.9367	C.2	1	noname	0.0980
21	C15    -3.4371    -0.4139     1.3744	C.2	1	noname	0.0661
22	C16     1.5435    -1.0541     3.6070	C.2	1	noname	-0.0472
23	N6    -4.0001    -0.5858     0.1706	N.2	1	noname	-0.2381
24	N7    -3.8118    -0.6867    -2.1404	N.3	1	noname	-0.0765
25	H1    -0.2477     4.9241    -4.5047	H	1	noname	0.2181
26	H2    -0.3812     2.9221    -3.5485	H	1	noname	0.0666
27	H3     1.2218     6.4280    -1.6538	H	1	noname	0.0650
28	H4     1.9067     5.0600     0.2981	H	1	noname	0.0624
29	H5    -0.2016     0.7928    -2.3311	H	1	noname	0.1370
30	H6     1.4477     2.6230     0.3266	H	1	noname	0.0639
31	H7     4.1896     0.2306     1.7215	H	1	noname	0.0645
32	H8    -0.5792    -1.0781     3.0162	H	1	noname	0.0643
33	H9     3.7120    -0.9311     3.9121	H	1	noname	0.0623
34	H10    -4.0482    -0.4717     2.2752	H	1	noname	0.1064
35	H11     1.3550    -1.5171     4.5756	H	1	noname	0.0623
36	H12    -4.8163    -0.7515    -2.2236	H	1	noname	0.1273
37	H13    -3.2316    -0.7515    -2.9647	H	1	noname	0.1273
@<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	1
15	12	15	1
16	12	14	2
17	13	16	2
18	13	17	1
19	14	18	1
20	15	19	2
21	16	20	1
22	17	21	2
23	18	22	2
24	19	22	1
25	20	23	2
26	20	24	1
27	21	23	1
28	1	25	1
29	3	26	1
30	4	27	1
31	6	28	1
32	7	29	1
33	8	30	1
34	15	31	1
35	18	32	1
36	19	33	1
37	21	34	1
38	22	35	1
39	24	36	1
40	24	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1