@<TRIPOS>MOLECULE
DB04541
21 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.5266    -0.9444    -0.4917	O.2	1	noname	-0.2901
2	C1     2.8275     0.0861    -0.3828	C.2	1	noname	0.0486
3	N1     3.2382     1.4852    -0.7433	N.3	1	noname	-0.0683
4	C2     1.3804     0.1601     0.1471	C.3	1	noname	0.0907
5	C3     2.4454     2.1846    -1.8040	C.3	1	noname	0.0768
6	N2     0.4906     1.0079    -0.6853	N.3	1	noname	-0.0571
7	C4     0.6684    -1.1731     0.1487	C.3	1	noname	-0.0274
8	C5     0.9145     1.9154    -1.7871	C.2	1	noname	0.0525
9	C6    -0.8995     0.6609    -0.4021	C.3	1	noname	0.0067
10	C7    -0.8187    -0.7994     0.0766	C.3	1	noname	-0.0379
11	O2     0.1196     2.4107    -2.6149	O.2	1	noname	-0.2895
12	H1     4.0183     1.9387    -0.2895	H	1	noname	0.1316
13	H2     1.4944     0.5724     1.1497	H	1	noname	0.0568
14	H3     2.5696     3.2457    -1.5876	H	1	noname	0.0529
15	H4     2.8158     1.7729    -2.7428	H	1	noname	0.0529
16	H5     0.9336    -1.6915    -0.7727	H	1	noname	0.0288
17	H6     0.8535    -1.6465     1.1130	H	1	noname	0.0288
18	H7    -1.2247     1.2854     0.4299	H	1	noname	0.0436
19	H8    -1.4386     0.6905    -1.3490	H	1	noname	0.0436
20	H9    -1.2699    -1.4197    -0.6979	H	1	noname	0.0280
21	H10    -1.2084    -0.8289     1.0941	H	1	noname	0.0280
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	4	7	1
7	5	8	1
8	6	9	1
9	6	8	1
10	7	10	1
11	8	11	2
12	9	10	1
13	3	12	1
14	4	13	1
15	5	14	1
16	5	15	1
17	7	16	1
18	7	17	1
19	9	18	1
20	9	19	1
21	10	20	1
22	10	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1