@<TRIPOS>MOLECULE
71586815
37 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.5299    -0.9964     2.6116	O.2	1	noname	-0.2953
2	N1     1.5067     3.3069    -2.8553	N.3	1	noname	-0.1559
3	N2    -5.7209    -2.5610    -2.3465	N.3	1	noname	-0.1559
4	C1    -0.8311    -0.9316     0.2132	C.3	1	noname	0.0756
5	C2    -2.1429    -1.4517    -0.4111	C.2	1	noname	-0.0799
6	C3    -0.2230     0.1802    -0.6331	C.2	1	noname	-0.0799
7	C4     0.2369    -2.1076     0.2318	C.3	1	noname	-0.0444
8	C5    -1.0262    -0.3972     1.6372	C.2	1	noname	0.1409
9	C6     1.0141     0.7706    -0.2459	C.2	1	noname	-0.0562
10	C7    -2.1449    -2.4069    -1.4914	C.2	1	noname	-0.0562
11	C8    -0.8316     0.7042    -1.8173	C.2	1	noname	-0.0562
12	C9    -3.4165    -0.8946    -0.0836	C.2	1	noname	-0.0562
13	C10    -1.6729     0.8696     2.0597	C.3	1	noname	-0.0044
14	C11    -3.3351    -2.7913    -2.1302	C.2	1	noname	-0.0684
15	C12     1.6050     1.8165    -0.9839	C.2	1	noname	-0.0684
16	C13    -0.2568     1.7483    -2.5561	C.2	1	noname	-0.0684
17	C14    -4.5882    -1.2003    -0.7777	C.2	1	noname	-0.0684
18	C15    -4.5703    -2.1776    -1.7730	C.2	1	noname	-0.0364
19	C16     0.9616     2.3045    -2.1402	C.2	1	noname	-0.0364
20	H1     1.1688    -1.8514     0.7453	H	1	noname	0.0247
21	H2    -0.1866    -2.9746     0.7454	H	1	noname	0.0247
22	H3     0.5909    -2.4377    -0.7574	H	1	noname	0.0247
23	H4     1.5122     0.4600     0.5989	H	1	noname	0.0626
24	H5    -1.3050    -2.8371    -1.8789	H	1	noname	0.0626
25	H6    -1.7193     0.3637    -2.1853	H	1	noname	0.0626
26	H7    -3.5711    -0.2493     0.6609	H	1	noname	0.0626
27	H8    -2.1948     1.3725     1.2308	H	1	noname	0.0310
28	H9    -2.3799     0.6660     2.8639	H	1	noname	0.0310
29	H10    -0.9172     1.5129     2.5102	H	1	noname	0.0310
30	H11    -3.2875    -3.5381    -2.8573	H	1	noname	0.0639
31	H12     2.4974     2.2163    -0.6687	H	1	noname	0.0639
32	H13    -0.7512     2.0869    -3.3936	H	1	noname	0.0639
33	H14    -5.4602    -0.7154    -0.5383	H	1	noname	0.0639
34	H15     2.3405     3.5820    -2.4430	H	1	noname	0.1242
35	H16     0.8938     4.0585    -2.8778	H	1	noname	0.1242
36	H17    -5.5434    -3.2688    -2.9857	H	1	noname	0.1242
37	H18    -6.3294    -2.8862    -1.6647	H	1	noname	0.1242
@<TRIPOS>BOND
1	1	8	2
2	2	19	1
3	2	34	1
4	2	35	1
5	3	18	1
6	3	36	1
7	3	37	1
8	4	5	1
9	4	6	1
10	4	7	1
11	4	8	1
12	5	10	2
13	5	12	1
14	6	9	2
15	6	11	1
16	7	20	1
17	7	21	1
18	7	22	1
19	8	13	1
20	9	15	1
21	9	23	1
22	10	14	1
23	10	24	1
24	11	16	2
25	11	25	1
26	12	17	2
27	12	26	1
28	13	27	1
29	13	28	1
30	13	29	1
31	14	18	2
32	14	30	1
33	15	19	2
34	15	31	1
35	16	19	1
36	16	32	1
37	17	18	1
38	17	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1