@<TRIPOS>MOLECULE
76964750
24 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	I1     2.4639    -1.2992    -4.4077	I	1	noname	-0.0414
2	O1     0.4706    -2.2868     2.6774	O.3	1	noname	-0.2139
3	O2     3.4981     1.0979    -2.6471	O.3	1	noname	-0.2800
4	O3     0.3497    -0.2830     1.6563	O.2	1	noname	-0.2495
5	N1    -2.0493    -2.5726     1.2282	N.3	1	noname	-0.3191
6	C1    -1.1822    -0.9367    -0.3660	C.3	1	noname	-0.0029
7	C2    -0.8253    -2.0405     0.6316	C.3	1	noname	0.0953
8	C3     0.0402    -0.4053    -0.9618	C.2	1	noname	-0.0587
9	C4     0.5493    -0.9709    -2.1250	C.2	1	noname	-0.0230
10	C5     0.6949     0.6662    -0.3658	C.2	1	noname	-0.0449
11	C6     0.0283    -1.4908     1.6808	C.2	1	noname	0.1438
12	C7     1.7131    -0.4650    -2.6922	C.2	1	noname	0.0022
13	C8     1.8587     1.1722    -0.9330	C.2	1	noname	-0.0238
14	C9     2.3678     0.6066    -2.0962	C.2	1	noname	0.0219
15	H1    -1.8195    -1.3472    -1.1493	H	1	noname	0.0337
16	H2    -1.7118    -0.1368     0.1513	H	1	noname	0.0337
17	H3    -0.2957    -2.8405     0.1143	H	1	noname	0.0575
18	H4     0.0688    -1.7573    -2.5623	H	1	noname	0.0637
19	H5     0.3214     1.0813     0.4878	H	1	noname	0.0626
20	H6    -2.6469    -2.9574     0.4938	H	1	noname	0.1191
21	H7    -2.5459    -1.8225     1.7132	H	1	noname	0.1191
22	H8     2.3391     1.9585    -0.4956	H	1	noname	0.0650
23	H9     1.3322    -2.1021     3.1063	H	1	noname	0.2213
24	H10     3.8275     1.8452    -2.1052	H	1	noname	0.2182
@<TRIPOS>BOND
1	1	12	1
2	2	11	1
3	2	23	1
4	3	14	1
5	3	24	1
6	4	11	2
7	7	5	1
8	5	20	1
9	5	21	1
10	6	7	1
11	6	8	1
12	6	15	1
13	6	16	1
14	7	11	1
15	7	17	1
16	8	9	2
17	8	10	1
18	9	12	1
19	9	18	1
20	10	13	2
21	10	19	1
22	12	14	2
23	13	14	1
24	13	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1