@<TRIPOS>MOLECULE
DB04139
25 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.8327    -0.8592    -0.1654	O.2	1	noname	-0.2829
2	C1    -0.0748     0.1295    -0.0631	C.2	1	noname	0.0206
3	N1     1.2948    -0.0105    -0.1219	N.3	1	noname	0.0778
4	N2    -0.5776     1.4005     0.1127	N.3	1	noname	0.0208
5	C2     2.1512     1.0660    -0.0115	C.2	1	noname	0.0644
6	C3     0.2394     2.5068     0.2280	C.2	1	noname	-0.0425
7	O2     3.3848     0.8742    -0.0728	O.2	1	noname	-0.2885
8	C4     1.6602     2.3929     0.1710	C.2	1	noname	0.0452
9	C5    -0.3641     3.8233     0.4126	C.3	1	noname	-0.0148
10	C6     2.5454     3.5477     0.2904	C.3	1	noname	-0.0336
11	C7    -1.2685     4.1415    -0.7798	C.3	1	noname	-0.0248
12	C8    -1.9010     5.5212    -0.5864	C.3	1	noname	0.0435
13	O3    -2.7403     5.8164    -1.6930	O.3	1	noname	-0.3962
14	H1     1.6843    -0.9336    -0.2503	H	1	noname	0.1417
15	H2    -1.5788     1.5254     0.1585	H	1	noname	0.1381
16	H3    -0.9991     3.7410     1.2947	H	1	noname	0.0327
17	H4     0.4608     4.5357     0.3994	H	1	noname	0.0327
18	H5     2.7146     3.7684     1.3443	H	1	noname	0.0282
19	H6     3.4976     3.3271    -0.1920	H	1	noname	0.0282
20	H7     2.0849     4.4099    -0.1920	H	1	noname	0.0282
21	H8    -0.6225     4.2114    -1.6549	H	1	noname	0.0293
22	H9    -2.0824     3.4167    -0.7596	H	1	noname	0.0293
23	H10    -2.5648     5.4703     0.2767	H	1	noname	0.0563
24	H11    -1.1049     6.2650    -0.6186	H	1	noname	0.0563
25	H12    -3.0432     4.9977    -2.0923	H	1	noname	0.2100
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	5	7	2
7	5	8	1
8	6	9	1
9	6	8	2
10	8	10	1
11	9	11	1
12	11	12	1
13	12	13	1
14	3	14	1
15	4	15	1
16	9	16	1
17	9	17	1
18	10	18	1
19	10	19	1
20	10	20	1
21	11	21	1
22	11	22	1
23	12	23	1
24	12	24	1
25	13	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1