@<TRIPOS>MOLECULE
66833826
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.7224    -3.8860     2.4017	O.2	1	noname	-0.2924
2	O2     2.5872    -1.4989     6.3594	O.3	1	noname	-0.2752
3	N1    -2.6264    -2.3815     0.2398	N.3	1	noname	-0.2934
4	C1    -1.8371    -3.2149    -0.6741	C.3	1	noname	-0.0010
5	C2    -3.3138    -1.5406    -0.7686	C.3	1	noname	-0.0010
6	C3    -2.8830    -3.7071    -1.6711	C.3	1	noname	-0.0392
7	C4    -3.8223    -2.5125    -1.8260	C.3	1	noname	-0.0392
8	C5    -1.9056    -1.6937     1.3744	C.3	1	noname	0.0705
9	C6    -2.8801    -0.8086     2.2007	C.3	1	noname	-0.0420
10	C7    -1.2904    -2.7130     2.3982	C.2	1	noname	0.0972
11	C8    -0.2131    -2.3493     3.3691	C.2	1	noname	-0.0298
12	C9    -0.3351    -1.1491     4.1429	C.2	1	noname	-0.0067
13	C10     0.8758    -3.2716     3.5950	C.2	1	noname	-0.0067
14	C11     0.6186    -0.8502     5.1547	C.2	1	noname	-0.0172
15	C12     1.8370    -2.9747     4.6201	C.2	1	noname	-0.0172
16	C13     1.6896    -1.7707     5.3884	C.2	1	noname	0.0201
17	C14     2.1433    -2.0615     7.5853	C.3	1	noname	0.0423
18	H1    -4.1597    -1.0342    -0.3037	H	1	noname	0.0430
19	H2    -2.5937    -0.8431    -1.1964	H	1	noname	0.0430
20	H3    -1.4271    -4.0647    -0.1284	H	1	noname	0.0430
21	H4    -1.0747    -2.6048    -1.1586	H	1	noname	0.0430
22	H5    -4.8400    -2.8164    -1.5808	H	1	noname	0.0280
23	H6    -3.7678    -2.0416    -2.8075	H	1	noname	0.0280
24	H7    -3.4297    -4.5457    -1.2399	H	1	noname	0.0280
25	H8    -2.4513    -4.0372    -2.6160	H	1	noname	0.0280
26	H9    -1.1124    -1.0419     1.0186	H	1	noname	0.0550
27	H10    -2.3339    -0.3255     3.0108	H	1	noname	0.0251
28	H11    -3.6721    -1.4311     2.6169	H	1	noname	0.0251
29	H12    -3.3177    -0.0484     1.5536	H	1	noname	0.0251
30	H13    -1.1083    -0.5074     3.9675	H	1	noname	0.0631
31	H14     0.9606    -4.1202     3.0354	H	1	noname	0.0631
32	H15     0.5408     0.0054     5.7044	H	1	noname	0.0650
33	H16     2.6140    -3.6106     4.7999	H	1	noname	0.0650
34	H17     2.8680    -1.8421     8.3693	H	1	noname	0.0535
35	H18     1.1775    -1.6331     7.8530	H	1	noname	0.0535
36	H19     2.0436    -3.1413     7.4745	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	10	2
2	2	16	1
3	2	17	1
4	3	4	1
5	3	5	1
6	3	8	1
7	4	6	1
8	4	20	1
9	4	21	1
10	5	7	1
11	5	18	1
12	5	19	1
13	6	7	1
14	6	24	1
15	6	25	1
16	7	22	1
17	7	23	1
18	8	9	1
19	8	10	1
20	8	26	1
21	9	27	1
22	9	28	1
23	9	29	1
24	10	11	1
25	11	12	2
26	11	13	1
27	12	14	1
28	12	30	1
29	13	15	2
30	13	31	1
31	14	16	2
32	14	32	1
33	15	16	1
34	15	33	1
35	17	34	1
36	17	35	1
37	17	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1