@<TRIPOS>MOLECULE
DB01980
25 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	I1    -0.4983    -1.8507     1.2109	I	1	noname	-0.0443
2	C1     0.2403    -0.0101     0.6921	C.2	1	noname	-0.0254
3	C2     1.6126     0.2109     0.6840	C.2	1	noname	-0.0356
4	C3    -0.6311     1.0168     0.3485	C.2	1	noname	-0.0356
5	C4     2.1135     1.4589     0.3322	C.2	1	noname	-0.0488
6	C5    -0.1302     2.2648    -0.0033	C.2	1	noname	-0.0488
7	C6     1.2420     2.4858    -0.0114	C.2	1	noname	-0.0515
8	C7     1.7681     3.7967    -0.3809	C.3	1	noname	-0.0040
9	C8     1.8936     4.6672     0.8710	C.3	1	noname	0.0850
10	N1     2.4204     5.9799     0.5010	N.3	1	noname	-0.3200
11	C9     2.8014     4.0281     1.8192	C.2	1	noname	0.0913
12	O1     2.3945     3.7120     2.9581	O.2	1	noname	-0.2764
13	N2     4.0708     3.7804     1.4686	N.3	1	noname	0.0167
14	O2     4.8791     3.2114     2.3129	O.3	1	noname	-0.3186
15	H1     2.2960    -0.5944     0.9534	H	1	noname	0.0633
16	H2    -1.7072     0.8435     0.3549	H	1	noname	0.0633
17	H3     3.1896     1.6322     0.3258	H	1	noname	0.0625
18	H4    -0.8136     3.0701    -0.2728	H	1	noname	0.0625
19	H5     2.7743     3.6196    -0.7610	H	1	noname	0.0337
20	H6     1.0148     4.2516    -1.0241	H	1	noname	0.0337
21	H7     0.9330     4.8118     1.3654	H	1	noname	0.0564
22	H8     3.4141     6.1075     0.3732	H	1	noname	0.1191
23	H9     1.7906     6.7591     0.3732	H	1	noname	0.1191
24	H10     4.4234     4.0262     0.5546	H	1	noname	0.1641
25	H11     4.5974     3.4097     3.2089	H	1	noname	0.2380
@<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	6	7	1
8	7	8	1
9	8	9	1
10	9	10	1
11	9	11	1
12	11	12	2
13	11	13	1
14	13	14	1
15	3	15	1
16	4	16	1
17	5	17	1
18	6	18	1
19	8	19	1
20	8	20	1
21	9	21	1
22	10	22	1
23	10	23	1
24	13	24	1
25	14	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1