@<TRIPOS>MOLECULE
DB01760
23 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.7666    -1.1454     0.5711	O.3	1	noname	-0.2369
2	C1     0.1173    -0.1271     0.6365	C.2	1	noname	0.0815
3	C2    -1.8374    -0.7882    -0.2904	C.3	1	noname	0.0441
4	N1     1.1343    -0.0658    -0.2339	N.2	1	noname	-0.2117
5	C3    -0.0275     0.8577     1.6066	C.2	1	noname	0.0622
6	C4     2.0117     0.9449    -0.1690	C.2	1	noname	0.0246
7	N2     0.8499     1.8684     1.6715	N.2	1	noname	-0.2356
8	C5    -1.1356     0.7909     2.5550	C.3	1	noname	0.0638
9	C6     1.8668     1.9298     0.8011	C.2	1	noname	0.0118
10	C7    -0.7029    -0.0020     3.7899	C.3	1	noname	-0.0570
11	C8    -1.5354     2.2074     2.9728	C.3	1	noname	-0.0570
12	H1    -2.7028    -0.4995     0.3060	H	1	noname	0.0535
13	H2    -1.5339     0.0488    -0.9193	H	1	noname	0.0535
14	H3    -2.0973    -1.6397    -0.9193	H	1	noname	0.0535
15	H4     2.8275     0.9656    -0.8916	H	1	noname	0.0856
16	H5    -1.9602     0.2919     2.0459	H	1	noname	0.0364
17	H6     2.5630     2.7647     0.8807	H	1	noname	0.0855
18	H7    -0.7762    -1.0692     3.5805	H	1	noname	0.0237
19	H8     0.3279     0.2491     4.0401	H	1	noname	0.0237
20	H9    -1.3520     0.2491     4.6287	H	1	noname	0.0237
21	H10    -1.5541     2.2737     4.0606	H	1	noname	0.0237
22	H11    -0.8120     2.9206     2.5777	H	1	noname	0.0237
23	H12    -2.5250     2.4370     2.5777	H	1	noname	0.0237
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	4	6	1
6	5	7	2
7	5	8	1
8	6	9	2
9	7	9	1
10	8	10	1
11	8	11	1
12	3	12	1
13	3	13	1
14	3	14	1
15	6	15	1
16	8	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	11	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1