@<TRIPOS>MOLECULE
DB03210
23 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.1137    -3.1093    -1.6192	O.2	1	noname	-0.2558
2	C1    -2.4877    -2.6210    -0.6537	C.2	1	noname	0.1349
3	O2    -2.5825    -3.1873     0.5681	O.3	1	noname	-0.2188
4	C2    -1.6539    -1.4383    -0.8474	C.3	1	noname	0.0375
5	C3    -1.0041    -1.0492     0.4820	C.3	1	noname	-0.0185
6	C4    -0.1703     0.1336     0.2883	C.2	1	noname	-0.0869
7	C5     1.1684    -0.0089    -0.0577	C.2	1	noname	-0.0609
8	C6    -0.7152     1.4021     0.4500	C.2	1	noname	-0.0609
9	C7     1.9622     1.1172    -0.2421	C.2	1	noname	-0.0698
10	C8     0.0787     2.5281     0.2656	C.2	1	noname	-0.0698
11	C9     1.4173     2.3857    -0.0804	C.2	1	noname	-0.0368
12	N1     2.1826     3.4712    -0.2582	N.3	1	noname	-0.1559
13	H1    -2.5756    -4.1432     0.4791	H	1	noname	0.2213
14	H2    -0.8573    -1.7411    -1.5270	H	1	noname	0.0376
15	H3    -2.3344    -0.6347    -1.1289	H	1	noname	0.0376
16	H4    -1.8006    -0.7464     1.1616	H	1	noname	0.0321
17	H5    -0.3236    -1.8528     0.7635	H	1	noname	0.0321
18	H6     1.5957    -1.0036    -0.1845	H	1	noname	0.0626
19	H7    -1.7649     1.5138     0.7213	H	1	noname	0.0626
20	H8     3.0120     1.0055    -0.5135	H	1	noname	0.0639
21	H9    -0.3486     3.5228     0.3924	H	1	noname	0.0639
22	H10     3.1859     3.3763    -0.3252	H	1	noname	0.1242
23	H11     1.7561     4.3843    -0.3252	H	1	noname	0.1242
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	5	6	1
6	6	7	2
7	6	8	1
8	7	9	1
9	8	10	2
10	9	11	2
11	10	11	1
12	11	12	1
13	3	13	1
14	4	14	1
15	4	15	1
16	5	16	1
17	5	17	1
18	7	18	1
19	8	19	1
20	9	20	1
21	10	21	1
22	12	22	1
23	12	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1