@<TRIPOS>MOLECULE
90479569
24 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.0808     1.8500     0.1415	O.3	1	noname	-0.2861
2	N1    -0.2123    -4.0046     1.1068	N.3	1	noname	-0.3276
3	C1    -0.0196    -2.5567     1.1681	C.3	1	noname	0.0052
4	C2     0.1827    -2.0088    -0.2461	C.3	1	noname	0.0163
5	C3     0.3752    -0.5628    -0.1848	C.2	1	noname	-0.0477
6	C4     1.2130    -2.2418     2.0181	C.3	1	noname	-0.0497
7	C5     1.6548    -0.0372    -0.0488	C.2	1	noname	-0.0350
8	C6    -0.7211     0.2882    -0.2626	C.2	1	noname	-0.0754
9	C7     1.8380     1.3395     0.0094	C.2	1	noname	-0.0035
10	C8    -0.5378     1.6648    -0.2043	C.2	1	noname	-0.0538
11	C9     0.7417     2.1904    -0.0683	C.2	1	noname	-0.0396
12	H1    -0.8980    -2.0918     1.6157	H	1	noname	0.0462
13	H2    -0.6954    -2.2331    -0.8516	H	1	noname	0.0331
14	H3     1.0611    -2.4736    -0.6936	H	1	noname	0.0331
15	H4     1.3567    -1.1623     2.0638	H	1	noname	0.0246
16	H5     1.0689    -2.6321     3.0256	H	1	noname	0.0246
17	H6     2.0914    -2.7067     1.5706	H	1	noname	0.0246
18	H7     2.4592    -0.6616     0.0082	H	1	noname	0.0652
19	H8    -1.6601    -0.0975    -0.3624	H	1	noname	0.0625
20	H9    -1.0357    -4.2149     0.5390	H	1	noname	0.1186
21	H10    -0.3474    -4.3706     2.0514	H	1	noname	0.1186
22	H11    -1.3423     2.2893    -0.2613	H	1	noname	0.0623
23	H12     0.8762     3.2006    -0.0255	H	1	noname	0.0650
24	H13     3.7319     1.1186     0.1810	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	9	1
2	1	24	1
3	3	2	1
4	2	20	1
5	2	21	1
6	3	4	1
7	3	6	1
8	3	12	1
9	4	5	1
10	4	13	1
11	4	14	1
12	5	7	2
13	5	8	1
14	6	15	1
15	6	16	1
16	6	17	1
17	7	9	1
18	7	18	1
19	8	10	2
20	8	19	1
21	9	11	2
22	10	11	1
23	10	22	1
24	11	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1