@<TRIPOS>MOLECULE
88655180
24 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.1468     2.9962    -1.9803	O.3	1	noname	-0.2140
2	O2     1.6319     1.8488    -0.7352	O.2	1	noname	-0.2496
3	N1    -1.6225     1.8342     0.0326	N.3	1	noname	-0.3194
4	N2     3.3847    -3.5574     0.6563	N.3	1	noname	-0.3304
5	C1     1.1072    -0.7447    -0.4604	C.3	1	noname	-0.0501
6	C2     0.0235     0.0451     0.2763	C.3	1	noname	-0.0283
7	C3     1.7177    -1.7791     0.4874	C.3	1	noname	-0.0408
8	C4    -0.5869     1.0795    -0.6714	C.3	1	noname	0.0912
9	C5     2.8014    -2.5689    -0.2493	C.3	1	noname	-0.0076
10	C6     0.4548     1.9939    -1.1300	C.2	1	noname	0.1437
11	H1     0.6667    -1.2530    -1.3180	H	1	noname	0.0268
12	H2     1.8850    -0.0620    -0.8027	H	1	noname	0.0268
13	H3    -0.7542    -0.6376     0.6187	H	1	noname	0.0288
14	H4     0.4641     0.5534     1.1340	H	1	noname	0.0288
15	H5     0.9400    -2.4618     0.8297	H	1	noname	0.0279
16	H6     2.1582    -1.2708     1.3450	H	1	noname	0.0279
17	H7    -1.0274     0.5712    -1.5291	H	1	noname	0.0571
18	H8     2.3609    -3.0772    -1.1070	H	1	noname	0.0425
19	H9     3.5791    -1.8862    -0.5917	H	1	noname	0.0425
20	H10    -2.3517     1.1941     0.3536	H	1	noname	0.1191
21	H11    -2.0302     2.5251    -0.6005	H	1	noname	0.1191
22	H12     4.1086    -4.0849     0.1642	H	1	noname	0.1184
23	H13     2.6555    -4.1974     0.9773	H	1	noname	0.1184
24	H14     0.8164     3.3212    -2.6178	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	10	1
2	1	24	1
3	2	10	2
4	8	3	1
5	3	20	1
6	3	21	1
7	4	9	1
8	4	22	1
9	4	23	1
10	5	6	1
11	5	7	1
12	5	11	1
13	5	12	1
14	6	8	1
15	6	13	1
16	6	14	1
17	7	9	1
18	7	15	1
19	7	16	1
20	8	10	1
21	8	17	1
22	9	18	1
23	9	19	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1