@<TRIPOS>MOLECULE
72710680
35 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -3.5259     2.4824    -1.1325	S	1	noname	-0.0432
2	O1    -0.2162    -2.2483     2.2620	O.3	1	noname	-0.3867
3	O2    -4.1906     3.3550    -2.2992	O.2	1	noname	-0.1910
4	O3    -3.8365     3.1892     0.2755	O.2	1	noname	-0.1910
5	N1     2.7020    -2.6125     2.2859	N.3	1	noname	-0.3144
6	N2    -1.8302     2.6023    -1.3391	N.3	1	noname	0.0811
7	C1     2.0288    -1.6502     1.3696	C.3	1	noname	0.0340
8	C2     0.6548    -1.1663     1.9716	C.3	1	noname	0.0941
9	C3    -0.0619    -0.1695     1.1517	C.2	1	noname	-0.0552
10	C4     1.9692    -2.4126     0.0320	C.3	1	noname	-0.0469
11	C5    -0.5579    -0.5366    -0.1175	C.2	1	noname	-0.0466
12	C6    -0.1846     1.1726     1.5886	C.2	1	noname	-0.0466
13	C7    -1.1166     1.7636    -0.5880	C.2	1	noname	-0.0232
14	C8    -0.9836     0.4310    -1.0290	C.2	1	noname	-0.0425
15	C9    -0.7458     2.1291     0.7365	C.2	1	noname	-0.0425
16	C10     3.1804    -2.1093     3.5995	C.3	1	noname	-0.0160
17	C11    -4.1569     0.7370    -1.1482	C.3	1	noname	0.0605
18	H1     2.6707    -0.7911     1.1686	H	1	noname	0.0492
19	H2     0.8567    -0.6877     2.9415	H	1	noname	0.0668
20	H3     1.7304    -1.7158    -0.7864	H	1	noname	0.0247
21	H4     1.2017    -3.1845     0.0875	H	1	noname	0.0247
22	H5     2.9464    -2.8464    -0.1803	H	1	noname	0.0247
23	H6     2.0980    -3.4240     2.4314	H	1	noname	0.1222
24	H7    -0.6024    -1.5149    -0.4166	H	1	noname	0.0627
25	H8     0.1237     1.4551     2.5336	H	1	noname	0.0627
26	H9    -1.2464     0.1392    -1.9745	H	1	noname	0.0639
27	H10    -0.9625     3.0618     1.1019	H	1	noname	0.0639
28	H11     0.2085    -2.8434     2.9146	H	1	noname	0.2109
29	H12     3.6474    -2.9242     4.1527	H	1	noname	0.0391
30	H13     2.3362    -1.7205     4.1690	H	1	noname	0.0391
31	H14     3.9086    -1.3139     3.4406	H	1	noname	0.0391
32	H15    -1.5469     3.5134    -1.1646	H	1	noname	0.1502
33	H16    -5.2468     0.7446    -1.1481	H	1	noname	0.0440
34	H17    -3.7972     0.2286    -2.0428	H	1	noname	0.0440
35	H18    -3.7972     0.2126    -0.2629	H	1	noname	0.0440
@<TRIPOS>BOND
1	1	3	2
2	1	4	2
3	1	6	1
4	1	17	1
5	8	2	1
6	2	28	1
7	7	5	1
8	5	16	1
9	5	23	1
10	6	13	1
11	6	32	1
12	7	8	1
13	7	10	1
14	7	18	1
15	8	9	1
16	8	19	1
17	9	11	2
18	9	12	1
19	10	20	1
20	10	21	1
21	10	22	1
22	11	14	1
23	11	24	1
24	12	15	2
25	12	25	1
26	13	14	2
27	13	15	1
28	14	26	1
29	15	27	1
30	16	29	1
31	16	30	1
32	16	31	1
33	17	33	1
34	17	34	1
35	17	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1