@<TRIPOS>MOLECULE
71587927
39 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     0.5495     2.0262    -0.2366	S.3	1	noname	-0.0884
2	N1     0.5305    -1.0250     0.0797	N.3	1	noname	0.0187
3	N2    -0.1904    -1.3466     4.8585	N.3	1	noname	-0.3092
4	N3     2.8576    -1.2733     0.0303	N.2	1	noname	-0.2510
5	C1     0.5022    -1.9092     1.1777	C.3	1	noname	0.0108
6	C2     0.1637    -1.1309     2.4507	C.3	1	noname	-0.0267
7	C3     0.1331    -2.0903     3.6421	C.3	1	noname	-0.0012
8	C4    -0.6875    -0.4360    -0.0595	C.2	1	noname	-0.0040
9	C5     1.7559    -0.4553    -0.0098	C.2	1	noname	0.0506
10	C6    -0.8607     0.9850    -0.1885	C.2	1	noname	-0.0231
11	C7     1.9418     0.9493    -0.2062	C.2	1	noname	0.0056
12	C8    -1.8224    -1.2871    -0.0079	C.2	1	noname	-0.0488
13	C9    -2.1525     1.5808    -0.1725	C.2	1	noname	-0.0357
14	C10    -0.2197    -2.2634     5.9969	C.3	1	noname	-0.0136
15	C11    -1.4997    -0.7134     4.7089	C.3	1	noname	-0.0136
16	C12     3.2557     1.4420    -0.4016	C.2	1	noname	-0.0201
17	C13    -3.1244    -0.7014    -0.0703	C.2	1	noname	-0.0573
18	C14    -3.2950     0.7225    -0.1273	C.2	1	noname	-0.0745
19	C15     4.3720     0.5599    -0.3757	C.2	1	noname	-0.0461
20	C16     4.1417    -0.8201    -0.1420	C.2	1	noname	-0.0045
21	H1    -0.2545    -2.6751     1.0080	H	1	noname	0.0440
22	H2     1.4784    -2.3813     1.2892	H	1	noname	0.0440
23	H3    -0.8124    -0.6588     2.3391	H	1	noname	0.0293
24	H4     0.9205    -0.3650     2.6203	H	1	noname	0.0293
25	H5    -0.6237    -2.8562     3.4724	H	1	noname	0.0430
26	H6     1.1092    -2.5624     3.7536	H	1	noname	0.0430
27	H7    -1.7106    -2.2978     0.0721	H	1	noname	0.0639
28	H8    -2.2608     2.5948    -0.1926	H	1	noname	0.0635
29	H9    -1.7409    -0.1589     5.6158	H	1	noname	0.0394
30	H10    -2.2564    -1.4793     4.5392	H	1	noname	0.0394
31	H11    -0.4609    -1.7089     6.9039	H	1	noname	0.0394
32	H12    -0.9765    -3.0293     5.8273	H	1	noname	0.0394
33	H13     0.7564    -2.7355     6.1085	H	1	noname	0.0394
34	H14    -1.4779    -0.0299     3.8601	H	1	noname	0.0394
35	H15     3.4029     2.4385    -0.5624	H	1	noname	0.0636
36	H16    -3.9463    -1.3055    -0.0743	H	1	noname	0.0623
37	H17    -4.2331     1.1228    -0.1357	H	1	noname	0.0623
38	H18     5.3178     0.9125    -0.5220	H	1	noname	0.0639
39	H19     4.9254    -1.4716    -0.1023	H	1	noname	0.0839
@<TRIPOS>BOND
1	1	10	1
2	1	11	1
3	2	5	1
4	2	8	1
5	2	9	1
6	3	7	1
7	3	14	1
8	3	15	1
9	4	9	1
10	4	20	2
11	5	6	1
12	5	21	1
13	5	22	1
14	6	7	1
15	6	23	1
16	6	24	1
17	7	25	1
18	7	26	1
19	8	10	1
20	8	12	2
21	9	11	2
22	10	13	2
23	11	16	1
24	12	17	1
25	12	27	1
26	13	18	1
27	13	28	1
28	14	31	1
29	14	32	1
30	14	33	1
31	15	29	1
32	15	30	1
33	15	34	1
34	16	19	2
35	16	35	1
36	17	18	2
37	17	36	1
38	18	37	1
39	19	20	1
40	19	38	1
41	20	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1