@<TRIPOS>MOLECULE
DB04223
28 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.9024    -0.3767    -0.2928	O.2	1	noname	-0.1318
2	N1     3.7375    -0.3851    -0.2867	N.2	1	noname	-0.0127
3	O2     3.0953     0.5935    -0.7664	O.3	1	noname	-0.1318
4	N2     3.1196    -1.3652     0.1957	N.3	1	noname	0.1145
5	C1     1.8296    -1.1597     0.0969	C.2	1	noname	-0.0629
6	N3     1.0346    -2.1482    -0.0313	N.2	1	noname	-0.2555
7	N4     1.3564     0.0614     0.1298	N.3	1	noname	-0.1099
8	C2    -0.0477     0.0249     0.0065	C.3	1	noname	0.0025
9	C3    -0.6003     1.4511     0.0449	C.3	1	noname	-0.0382
10	C4    -2.1239     1.4114    -0.0888	C.3	1	noname	-0.0271
11	C5    -2.6766     2.8376    -0.0504	C.3	1	noname	0.0913
12	N5    -4.1325     2.7997    -0.1782	N.3	1	noname	-0.3194
13	C6    -2.1111     3.6085    -1.1538	C.2	1	noname	0.1437
14	O3    -1.4368     4.6344    -0.9184	O.2	1	noname	-0.2496
15	O4    -2.3164     3.2134    -2.4282	O.3	1	noname	-0.2140
16	H1     3.5778    -2.1733     0.5920	H	1	noname	0.1636
17	H2     0.7647    -2.4838     0.8823	H	1	noname	0.1899
18	H3     1.9544     0.8692     0.2301	H	1	noname	0.1306
19	H4    -0.2397    -0.3874    -0.9841	H	1	noname	0.0432
20	H5    -0.4016    -0.5007     0.8935	H	1	noname	0.0432
21	H6    -0.3817     1.8466     1.0368	H	1	noname	0.0280
22	H7    -0.2198     1.9599    -0.8407	H	1	noname	0.0280
23	H8    -2.3425     1.0158    -1.0807	H	1	noname	0.0288
24	H9    -2.5044     0.9025     0.7968	H	1	noname	0.0288
25	H10    -2.4287     3.3462     0.8812	H	1	noname	0.0571
26	H11    -4.6582     3.6610    -0.2224	H	1	noname	0.1191
27	H12    -4.6126     1.9122    -0.2224	H	1	noname	0.1191
28	H13    -2.3229     2.2543    -2.4688	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	5	6	2
6	5	7	1
7	7	8	1
8	8	9	1
9	9	10	1
10	10	11	1
11	11	12	1
12	11	13	1
13	13	14	2
14	13	15	1
15	4	16	1
16	6	17	1
17	7	18	1
18	8	19	1
19	8	20	1
20	9	21	1
21	9	22	1
22	10	23	1
23	10	24	1
24	11	25	1
25	12	26	1
26	12	27	1
27	15	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1