@<TRIPOS>MOLECULE
71587654
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     7.4953    -1.5893     0.5136	O.3	1	noname	-0.3756
2	O2     4.1976     0.0095     0.2651	O.3	1	noname	-0.2044
3	O3     4.1957     2.1980    -0.6163	O.2	1	noname	-0.2563
4	N1    -0.0002     0.0892     0.4982	N.2	1	noname	-0.2372
5	C1     6.0909    -1.3288     0.6162	C.3	1	noname	0.0817
6	C2     5.5220    -2.4473    -0.2682	C.3	1	noname	-0.0223
7	C3     6.3055    -3.6564     0.2300	C.3	1	noname	-0.0270
8	C4     7.6405    -3.0201     0.6402	C.3	1	noname	0.0473
9	C5     5.6117     0.0440     0.1155	C.3	1	noname	0.0830
10	C6     3.5713     1.2092    -0.1750	C.2	1	noname	0.0970
11	C7     2.0961     1.1544    -0.0511	C.2	1	noname	0.0310
12	C8     1.3494     2.3098    -0.4364	C.2	1	noname	0.0132
13	C9     1.3758     0.0134     0.4307	C.2	1	noname	0.0499
14	C10    -0.0692     2.3783    -0.3631	C.2	1	noname	-0.0082
15	C11    -0.7157     1.2013     0.1274	C.2	1	noname	0.0194
16	H1     5.7737    -1.4053     1.6661	H	1	noname	0.0627
17	H2     4.4636    -2.5834    -0.0459	H	1	noname	0.0294
18	H3     5.7562    -2.2537    -1.3150	H	1	noname	0.0294
19	H4     5.8142    -4.0699     1.1108	H	1	noname	0.0291
20	H5     6.4086    -4.4467    -0.5136	H	1	noname	0.0291
21	H6     7.8598    -3.2727     1.6776	H	1	noname	0.0566
22	H7     8.4588    -3.3389    -0.0055	H	1	noname	0.0566
23	H8     5.8629     0.1539    -0.9395	H	1	noname	0.0600
24	H9     6.0203     0.8720     0.6946	H	1	noname	0.0600
25	H10     1.8579     3.1244    -0.7804	H	1	noname	0.0632
26	H11     1.8676    -0.8333     0.7166	H	1	noname	0.0847
27	H12    -0.5897     3.2102    -0.6414	H	1	noname	0.0639
28	H13    -1.7327     1.1872     0.2039	H	1	noname	0.0839
@<TRIPOS>BOND
1	1	5	1
2	1	8	1
3	2	9	1
4	2	10	1
5	3	10	2
6	4	13	1
7	4	15	2
8	5	6	1
9	5	9	1
10	5	16	1
11	6	7	1
12	6	17	1
13	6	18	1
14	7	8	1
15	7	19	1
16	7	20	1
17	8	21	1
18	8	22	1
19	9	23	1
20	9	24	1
21	10	11	1
22	11	12	1
23	11	13	2
24	12	14	2
25	12	25	1
26	13	26	1
27	14	15	1
28	14	27	1
29	15	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1