@<TRIPOS>MOLECULE
DB04365
24 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.4018    -1.0614     2.6947	O.2	1	noname	-0.2586
2	C1     1.2991    -1.3932     1.4940	C.2	1	noname	0.0994
3	O2     1.5159    -2.6741     1.1267	O.3	1	noname	-0.2102
4	C2     0.9689    -0.4639     0.5575	C.2	1	noname	0.0618
5	C3     1.2339    -3.7301     2.0331	C.3	1	noname	0.0457
6	C4     0.1936     0.5768     0.9170	C.2	1	noname	-0.0177
7	C5     1.4680    -0.6267    -0.8096	C.3	1	noname	0.0288
8	C6    -0.2460     1.6515     0.0167	C.3	1	noname	-0.0213
9	N1     1.5401     0.6929    -1.4923	N.3	1	noname	-0.3015
10	C7     0.2654     1.4594    -1.4490	C.3	1	noname	0.0017
11	C8     1.9459     0.5003    -2.8835	C.3	1	noname	-0.0130
12	H1     1.3310    -3.3665     3.0561	H	1	noname	0.0536
13	H2     0.2172    -4.0876     1.8696	H	1	noname	0.0536
14	H3     1.9369    -4.5468     1.8696	H	1	noname	0.0536
15	H4    -0.0871     0.5484     1.9699	H	1	noname	0.0581
16	H5     2.4905    -0.9936    -0.7210	H	1	noname	0.0483
17	H6     0.7211    -1.2173    -1.3402	H	1	noname	0.0483
18	H7    -1.3327     1.5701    -0.0072	H	1	noname	0.0323
19	H8     0.2245     2.5540     0.4071	H	1	noname	0.0323
20	H9    -0.4643     0.8360    -1.9656	H	1	noname	0.0433
21	H10     0.5096     2.4482    -1.8372	H	1	noname	0.0433
22	H11     2.0088    -0.5663    -3.0993	H	1	noname	0.0394
23	H12     1.2113     0.9618    -3.5435	H	1	noname	0.0394
24	H13     2.9201     0.9618    -3.0451	H	1	noname	0.0394
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	2
6	4	7	1
7	6	8	1
8	7	9	1
9	8	10	1
10	9	11	1
11	9	10	1
12	5	12	1
13	5	13	1
14	5	14	1
15	6	15	1
16	7	16	1
17	7	17	1
18	8	18	1
19	8	19	1
20	10	20	1
21	10	21	1
22	11	22	1
23	11	23	1
24	11	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1