@<TRIPOS>MOLECULE
DB03305
27 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.3914    -0.7559     0.0109	O.2	1	noname	-0.2496
2	C1     3.3188    -1.3001     0.3513	C.2	1	noname	0.1437
3	O2     3.2773    -2.0801     1.4524	O.3	1	noname	-0.2140
4	C2     2.1108    -1.0923    -0.4420	C.3	1	noname	0.0913
5	N1     1.6266    -2.3793    -0.9387	N.3	1	noname	-0.3194
6	C3     1.0335    -0.4441     0.4298	C.3	1	noname	-0.0271
7	C4    -0.2324    -0.2263    -0.4015	C.3	1	noname	-0.0382
8	C5    -1.3098     0.4219     0.4703	C.3	1	noname	0.0011
9	N2    -2.4764     0.6226    -0.2958	N.3	1	noname	-0.1356
10	C6    -3.3988     1.1777     0.4506	C.2	1	noname	-0.0830
11	N3    -4.5418     1.4491    -0.0449	N.2	1	noname	-0.2828
12	C7    -3.1238     1.4792     1.8211	C.3	1	noname	-0.0124
13	H1     3.2872    -3.0037     1.1909	H	1	noname	0.2213
14	H2     2.3703    -0.4712    -1.2992	H	1	noname	0.0571
15	H3     0.6407    -2.5158    -1.1103	H	1	noname	0.1191
16	H4     2.2780    -3.1318    -1.1103	H	1	noname	0.1191
17	H5     0.7799    -1.1663     1.2058	H	1	noname	0.0288
18	H6     1.4033     0.5438     0.7045	H	1	noname	0.0288
19	H7     0.0211     0.4960    -1.1775	H	1	noname	0.0280
20	H8    -0.6022    -1.2142    -0.6762	H	1	noname	0.0280
21	H9    -1.5929    -0.2897     1.2459	H	1	noname	0.0432
22	H10    -0.9695     1.4205     0.7446	H	1	noname	0.0432
23	H11    -2.6332     0.3950    -1.2673	H	1	noname	0.1292
24	H12    -5.2037     1.6062     0.7016	H	1	noname	0.1884
25	H13    -3.0113     0.5512     2.3818	H	1	noname	0.0306
26	H14    -2.2027     2.0580     1.8881	H	1	noname	0.0306
27	H15    -3.9479     2.0580     2.2382	H	1	noname	0.0306
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	6	7	1
7	7	8	1
8	8	9	1
9	9	10	1
10	10	11	2
11	10	12	1
12	3	13	1
13	4	14	1
14	5	15	1
15	5	16	1
16	6	17	1
17	6	18	1
18	7	19	1
19	7	20	1
20	8	21	1
21	8	22	1
22	9	23	1
23	11	24	1
24	12	25	1
25	12	26	1
26	12	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1