@<TRIPOS>MOLECULE
DB06704
22 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	I1    -0.7648    -1.8211    -0.2528	I	1	noname	-0.0442
2	C1     0.0793     0.0358    -0.0476	C.2	1	noname	-0.0227
3	C2     1.4519     0.1591     0.1341	C.2	1	noname	-0.0263
4	C3    -0.7209     1.1716    -0.0902	C.2	1	noname	-0.0364
5	C4     2.0242     1.4181     0.2732	C.2	1	noname	-0.0376
6	C5    -0.1486     2.4306     0.0489	C.2	1	noname	-0.0511
7	C6     1.2240     2.5539     0.2306	C.2	1	noname	-0.0485
8	C7     3.4659     1.5476     0.4641	C.3	1	noname	0.0669
9	N1     4.0824     1.6556    -0.7602	N.2	1	noname	-0.2611
10	C8     5.3497     1.7789    -0.8271	C.2	1	noname	-0.1431
11	N2     5.9370     1.8818    -1.9935	N.3	1	noname	-0.1340
12	N3     6.0643     1.8027     0.2705	N.3	1	noname	-0.1340
13	H1     2.0794    -0.7316     0.1675	H	1	noname	0.0637
14	H2    -1.7972     1.0749    -0.2327	H	1	noname	0.0633
15	H3    -0.7761     3.3212     0.0155	H	1	noname	0.0623
16	H4     1.6728     3.5412     0.3397	H	1	noname	0.0626
17	H5     3.6510     2.4937     0.9727	H	1	noname	0.0566
18	H6     3.8297     0.6158     0.8970	H	1	noname	0.0566
19	H7     5.3823     1.9215    -2.8366	H	1	noname	0.1267
20	H8     6.9447     1.9215    -2.0498	H	1	noname	0.1267
21	H9     7.0728     1.8118     0.2164	H	1	noname	0.1267
22	H10     5.6068     1.8118     1.1709	H	1	noname	0.1267
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	2
6	5	7	2
7	5	8	1
8	6	7	1
9	8	9	1
10	9	10	2
11	10	11	1
12	10	12	1
13	3	13	1
14	4	14	1
15	6	15	1
16	7	16	1
17	8	17	1
18	8	18	1
19	11	19	1
20	11	20	1
21	12	21	1
22	12	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1