@<TRIPOS>MOLECULE
72941520
39 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.4245     3.7279     0.0212	S	1	noname	-0.0993
2	O1     1.1601     3.4612     0.0808	O.2	1	noname	-0.1949
3	O2    -0.8623     4.6822    -1.2000	O.2	1	noname	-0.1949
4	N1     0.2519     0.6590    -1.3051	N.3	1	noname	-0.0087
5	N2    -1.1613     2.2087    -0.1956	N.3	1	noname	0.0926
6	N3     0.4781     0.3011    -2.5391	N.2	1	noname	-0.3332
7	N4    -2.3034     5.6775     5.2090	N.3	1	noname	-0.1510
8	C1    -0.7922     1.5295    -1.2922	C.2	1	noname	-0.0229
9	C2    -0.9899     4.3197     1.5772	C.2	1	noname	-0.0163
10	C3    -1.2608     1.6838    -2.5749	C.2	1	noname	0.0131
11	C4     0.9834     0.2656    -0.2047	C.2	1	noname	-0.0142
12	C5    -0.4278     0.8905    -3.3457	C.2	1	noname	0.0193
13	C6    -0.5478     3.7076     2.7754	C.2	1	noname	0.0113
14	C7    -1.8425     5.4355     1.5998	C.2	1	noname	0.0113
15	C8     2.3603    -0.0174    -0.3587	C.2	1	noname	-0.0461
16	C9     0.3953     0.1154     1.0848	C.2	1	noname	-0.0461
17	C10    -0.4950     0.7090    -4.7875	C.3	1	noname	0.0408
18	C11    -0.9443     4.2488     3.9989	C.2	1	noname	-0.0446
19	C12    -2.2514     5.9725     2.8277	C.2	1	noname	-0.0446
20	C13    -1.8184     5.3481     4.0149	C.2	1	noname	-0.0036
21	C14     3.1191    -0.4243     0.7543	C.2	1	noname	-0.0590
22	C15     1.1727    -0.1937     2.2029	C.2	1	noname	-0.0590
23	C16     2.5291    -0.4954     2.0304	C.2	1	noname	-0.0815
24	H1    -2.0323     2.2871    -2.8824	H	1	noname	0.0674
25	H2     0.0503     2.8780     2.7665	H	1	noname	0.0639
26	H3    -2.1668     5.8545     0.7241	H	1	noname	0.0639
27	H4     2.8051     0.0414    -1.2841	H	1	noname	0.0643
28	H5    -0.6088     0.1960     1.2360	H	1	noname	0.0643
29	H6    -0.6659    -0.3452    -4.9983	H	1	noname	0.0296
30	H7     0.4435     1.0290    -5.2381	H	1	noname	0.0296
31	H8    -1.3147     1.2976    -5.1987	H	1	noname	0.0296
32	H9    -0.6401     3.8165     4.8799	H	1	noname	0.0639
33	H10    -2.8670     6.7908     2.8380	H	1	noname	0.0639
34	H11     4.0954    -0.6712     0.6356	H	1	noname	0.0623
35	H12     0.7196    -0.2379     3.1240	H	1	noname	0.0623
36	H13     3.0636    -0.8058     2.8462	H	1	noname	0.0622
37	H14    -1.7684     5.4807     5.9991	H	1	noname	0.1242
38	H15    -3.1966     6.0503     5.2712	H	1	noname	0.1242
39	H16    -1.5934     1.7634     0.5579	H	1	noname	0.1520
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	5	1
4	1	9	1
5	4	6	1
6	4	8	1
7	4	11	1
8	5	8	1
9	5	39	1
10	6	12	2
11	7	20	1
12	7	37	1
13	7	38	1
14	8	10	2
15	9	13	2
16	9	14	1
17	10	12	1
18	10	24	1
19	11	15	2
20	11	16	1
21	12	17	1
22	13	18	1
23	13	25	1
24	14	19	2
25	14	26	1
26	15	21	1
27	15	27	1
28	16	22	2
29	16	28	1
30	17	29	1
31	17	30	1
32	17	31	1
33	18	20	2
34	18	32	1
35	19	20	1
36	19	33	1
37	21	23	2
38	21	34	1
39	22	23	1
40	22	35	1
41	23	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1