@<TRIPOS>MOLECULE
DB04379
25 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.6922    -1.0962    -0.4049	O.2	1	noname	-0.3012
2	C1    -2.8532    -1.6094    -1.1268	C.2	1	noname	0.0354
3	N1    -1.5807    -1.3767    -0.9203	N.3	1	noname	-0.0728
4	C2    -1.1151    -1.1110     0.3838	C.3	1	noname	0.0387
5	C3    -0.6766    -1.3920    -2.0022	C.3	1	noname	-0.0053
6	C4    -0.4989     0.2121     0.4205	C.2	1	noname	-0.0473
7	C5    -0.0811    -2.1664     0.7811	C.3	1	noname	-0.0449
8	C6     0.8586     0.3540     0.1574	C.2	1	noname	-0.0522
9	C7    -1.2697     1.3297     0.7184	C.2	1	noname	-0.0522
10	C8     1.4452     1.6137     0.1923	C.2	1	noname	-0.0592
11	C9    -0.6830     2.5894     0.7533	C.2	1	noname	-0.0592
12	C10     0.6744     2.7313     0.4902	C.2	1	noname	-0.0613
13	H1    -3.2261    -2.2509    -1.9253	H	1	noname	0.1233
14	H2    -1.9936    -1.1125     1.0291	H	1	noname	0.0519
15	H3    -0.4507    -2.4235    -2.2724	H	1	noname	0.0399
16	H4    -1.1229    -0.8821    -2.8559	H	1	noname	0.0399
17	H5     0.2429    -0.8821    -1.7145	H	1	noname	0.0399
18	H6    -0.0223    -2.2264     1.8679	H	1	noname	0.0250
19	H7    -0.3779    -3.1352     0.3792	H	1	noname	0.0250
20	H8     0.8935    -1.8895     0.3792	H	1	noname	0.0250
21	H9     1.4630    -0.5224    -0.0762	H	1	noname	0.0626
22	H10    -2.3342     1.2184     0.9247	H	1	noname	0.0626
23	H11     2.5097     1.7250    -0.0140	H	1	noname	0.0622
24	H12    -1.2875     3.4658     0.9869	H	1	noname	0.0622
25	H13     1.1345     3.7191     0.5176	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	4	3	1
4	3	5	1
5	4	6	1
6	4	7	1
7	6	8	2
8	6	9	1
9	8	10	1
10	9	11	2
11	10	12	2
12	11	12	1
13	2	13	1
14	4	14	1
15	5	15	1
16	5	16	1
17	5	17	1
18	7	18	1
19	7	19	1
20	7	20	1
21	8	21	1
22	9	22	1
23	10	23	1
24	11	24	1
25	12	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1