@<TRIPOS>MOLECULE
DB02988
25 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.7824    -3.0696     0.1145	O.2	1	noname	-0.2499
2	C1     4.2565    -1.9372     0.3498	C.2	1	noname	0.1207
3	O2     5.5619    -1.6891     0.1112	O.3	1	noname	-0.2122
4	C2     3.4574    -0.9551     0.8462	C.2	1	noname	0.1078
5	N1     2.4636    -1.2551     1.5864	N.2	1	noname	-0.2390
6	C3     3.7316     0.4141     0.5378	C.3	1	noname	0.0222
7	C4     2.7385     1.2669     1.1843	C.2	1	noname	-0.0298
8	C5     1.5177     1.6873     0.6604	C.2	1	noname	-0.0313
9	C6     2.8115     1.8346     2.4604	C.2	1	noname	-0.1045
10	C7     0.8799     2.4659     1.6400	C.2	1	noname	-0.0883
11	C8     0.9829     1.5299    -0.6560	C.2	1	noname	-0.0397
12	N2     1.6840     2.5351     2.7163	N.3	1	noname	-0.0757
13	C9    -0.3622     3.1344     1.3879	C.2	1	noname	-0.0440
14	C10    -0.2277     2.2326    -0.9362	C.2	1	noname	-0.0540
15	C11    -0.8896     3.0136     0.0674	C.2	1	noname	-0.0512
16	H1     6.0285    -1.6004     0.9455	H	1	noname	0.2217
17	H2     2.7305    -1.1745     2.5572	H	1	noname	0.1874
18	H3     4.6962     0.6445     0.9901	H	1	noname	0.0384
19	H4     3.5949     0.5209    -0.5383	H	1	noname	0.0384
20	H5     3.6392     1.7431     3.1638	H	1	noname	0.0792
21	H6     1.4717     0.9076    -1.4056	H	1	noname	0.0629
22	H7     1.4761     3.0296     3.5721	H	1	noname	0.1522
23	H8    -0.8786     3.7048     2.1600	H	1	noname	0.0642
24	H9    -0.6553     2.1716    -1.9370	H	1	noname	0.0622
25	H10    -1.8177     3.5288    -0.1798	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	2
5	4	6	1
6	6	7	1
7	7	8	1
8	7	9	2
9	8	10	2
10	8	11	1
11	9	12	1
12	10	13	1
13	10	12	1
14	11	14	2
15	13	15	2
16	14	15	1
17	3	16	1
18	5	17	1
19	6	18	1
20	6	19	1
21	9	20	1
22	11	21	1
23	12	22	1
24	13	23	1
25	14	24	1
26	15	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1