@<TRIPOS>MOLECULE
DB03339
16 16 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	I1    -0.7550    -1.8222     0.2667	I	1	noname	-0.0442
2	C1     0.0822     0.0366     0.0510	C.2	1	noname	-0.0224
3	C2     1.4536     0.1637    -0.1360	C.2	1	noname	-0.0251
4	C3    -0.7217     1.1699     0.0918	C.2	1	noname	-0.0363
5	C4     2.0213     1.4241    -0.2822	C.2	1	noname	-0.0359
6	C5    -0.1540     2.4303    -0.0544	C.2	1	noname	-0.0507
7	C6     1.2175     2.5573    -0.2414	C.2	1	noname	-0.0473
8	C7     3.4619     1.5575    -0.4786	C.3	1	noname	0.0683
9	O1     4.1026     1.6763     0.7831	O.3	1	noname	-0.3915
10	H1     2.0840    -0.7250    -0.1679	H	1	noname	0.0637
11	H2    -1.7972     1.0702     0.2384	H	1	noname	0.0633
12	H3    -0.7844     3.3189    -0.0225	H	1	noname	0.0623
13	H4     1.6626     3.5457    -0.3561	H	1	noname	0.0626
14	H5     3.8166     0.6239    -0.9150	H	1	noname	0.0614
15	H6     3.6314     2.5009    -0.9977	H	1	noname	0.0614
16	H7     4.2813     0.8012     1.1349	H	1	noname	0.2105
@<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	3	10	1
11	4	11	1
12	6	12	1
13	7	13	1
14	8	14	1
15	8	15	1
16	9	16	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1