@<TRIPOS>MOLECULE
DB03824
21 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	I1     3.7219     2.4531     0.1882	I	1	noname	-0.0442
2	C1     2.0177     1.5169    -0.4612	C.2	1	noname	-0.0303
3	C2     1.4610     0.4785     0.3337	C.2	1	noname	-0.0295
4	C3     1.4337     1.9306    -1.6932	C.2	1	noname	-0.0375
5	C4     0.2840    -0.1581    -0.1670	C.2	1	noname	-0.0430
6	C5     0.2658     1.2939    -2.2104	C.2	1	noname	-0.0534
7	C6    -0.2918     0.2348    -1.4364	C.2	1	noname	-0.0455
8	C7    -0.3013    -1.3189     0.5411	C.3	1	noname	0.0209
9	C8    -1.3890    -0.4976    -2.1083	C.3	1	noname	0.0155
10	N1    -0.5863    -2.3622    -0.4867	N.3	1	noname	-0.3123
11	C9    -1.5713    -1.9424    -1.5243	C.3	1	noname	-0.0004
12	H1     1.9144     0.1849     1.2805	H	1	noname	0.0637
13	H2     1.8888     2.7494    -2.2504	H	1	noname	0.0633
14	H3    -0.1808     1.6030    -3.1554	H	1	noname	0.0625
15	H4     0.4699    -1.7144     1.2021	H	1	noname	0.0478
16	H5    -1.2579    -0.9959     0.9518	H	1	noname	0.0478
17	H6    -2.2932     0.0638    -1.8729	H	1	noname	0.0329
18	H7    -1.0683    -0.6047    -3.1445	H	1	noname	0.0329
19	H8    -0.1504    -3.2733    -0.4805	H	1	noname	0.1225
20	H9    -2.5284    -1.9439    -1.0026	H	1	noname	0.0431
21	H10    -1.4005    -2.6314    -2.3515	H	1	noname	0.0431
@<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	7	9	1
10	8	10	1
11	9	11	1
12	10	11	1
13	3	12	1
14	4	13	1
15	6	14	1
16	8	15	1
17	8	16	1
18	9	17	1
19	9	18	1
20	10	19	1
21	11	20	1
22	11	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1