@<TRIPOS>MOLECULE
56777166
27 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	I1     1.6933     3.0969    -1.7071	I	1	noname	-0.0414
2	I2     2.1229    -2.1102    -4.5711	I	1	noname	-0.0414
3	O1     0.4043    -1.1748     2.5926	O.3	1	noname	-0.2046
4	O2    -0.1185     0.3463     1.0160	O.2	1	noname	-0.2480
5	O3     2.6688     0.8679    -3.7059	O.3	1	noname	-0.2738
6	N1    -2.0161    -2.3683     1.4751	N.3	1	noname	-0.3191
7	C1    -1.5005    -1.1848    -0.5993	C.3	1	noname	-0.0029
8	C2    -0.9257    -1.8315     0.6626	C.3	1	noname	0.0955
9	C3    -0.4116    -0.6487    -1.4107	C.2	1	noname	-0.0514
10	C4     0.1936    -1.4455    -2.3756	C.2	1	noname	-0.0204
11	C5     0.0200     0.6585    -1.2183	C.2	1	noname	-0.0204
12	C6    -0.1929    -0.8301     1.4320	C.2	1	noname	0.1480
13	C7     1.0568     1.1690    -1.9908	C.2	1	noname	0.0096
14	C8     1.2304    -0.9351    -3.1481	C.2	1	noname	0.0096
15	C9     1.6619     0.3722    -2.9557	C.2	1	noname	0.0456
16	C10     1.5778    -0.4965     3.0160	C.3	1	noname	0.0454
17	H1    -2.0476    -1.9324    -1.1737	H	1	noname	0.0337
18	H2    -2.1759    -0.3768    -0.3181	H	1	noname	0.0337
19	H3    -0.2503    -2.6394     0.3814	H	1	noname	0.0575
20	H4    -0.1231    -2.4048    -2.5167	H	1	noname	0.0637
21	H5    -0.4241     1.2432    -0.5103	H	1	noname	0.0637
22	H6    -2.5291    -3.0693     0.9365	H	1	noname	0.1192
23	H7    -2.6494    -1.6107     1.7387	H	1	noname	0.1192
24	H8     1.9127    -0.9093     3.9676	H	1	noname	0.0536
25	H9     1.3605     0.5648     3.1367	H	1	noname	0.0536
26	H10     2.3610    -0.6243     2.2688	H	1	noname	0.0536
27	H11     2.8459     1.7953    -3.4433	H	1	noname	0.2182
@<TRIPOS>BOND
1	1	13	1
2	2	14	1
3	3	12	1
4	3	16	1
5	4	12	2
6	5	15	1
7	5	27	1
8	8	6	1
9	6	22	1
10	6	23	1
11	7	8	1
12	7	9	1
13	7	17	1
14	7	18	1
15	8	12	1
16	8	19	1
17	9	10	2
18	9	11	1
19	10	14	1
20	10	20	1
21	11	13	2
22	11	21	1
23	13	15	1
24	14	15	2
25	16	24	1
26	16	25	1
27	16	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1