@<TRIPOS>MOLECULE
DB01758
24 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	I1     3.0452    -0.0517    -1.5217	I	1	noname	-0.0414
2	C1     2.4494     1.3953    -0.1974	C.2	1	noname	0.0022
3	C2     3.2634     1.7308     0.8782	C.2	1	noname	0.0219
4	C3     1.2313     2.0410    -0.3751	C.2	1	noname	-0.0230
5	O1     4.4464     1.1037     1.0508	O.3	1	noname	-0.2800
6	C4     2.8594     2.7119     1.7761	C.2	1	noname	-0.0238
7	C5     0.8273     3.0221     0.5229	C.2	1	noname	-0.0587
8	C6     1.6414     3.3576     1.5985	C.2	1	noname	-0.0449
9	C7    -0.4520     3.7003     0.3363	C.3	1	noname	-0.0029
10	C8    -0.2489     4.9420    -0.5343	C.3	1	noname	0.0953
11	N1    -1.5300     5.6211    -0.7212	N.3	1	noname	-0.3191
12	C9     0.2848     4.5434    -1.8335	C.2	1	noname	0.1438
13	O2     1.3921     4.9802    -2.2151	O.2	1	noname	-0.2495
14	O3    -0.4177     3.7031    -2.6228	O.3	1	noname	-0.2139
15	H1     0.5930     1.7779    -1.2185	H	1	noname	0.0637
16	H2     4.6246     1.0092     1.9893	H	1	noname	0.2182
17	H3     3.4978     2.9749     2.6196	H	1	noname	0.0650
18	H4     1.3246     4.1269     2.3026	H	1	noname	0.0626
19	H5    -1.0806     3.0063    -0.2217	H	1	noname	0.0337
20	H6    -0.7591     4.0387     1.3259	H	1	noname	0.0337
21	H7     0.4488     5.6472    -0.0826	H	1	noname	0.0575
22	H8    -1.5628     6.6285    -0.7857	H	1	noname	0.1191
23	H9    -2.3822     5.0829    -0.7857	H	1	noname	0.1191
24	H10    -0.9236     3.0980    -2.0756	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	2
7	6	8	2
8	7	9	1
9	7	8	1
10	9	10	1
11	10	11	1
12	10	12	1
13	12	13	2
14	12	14	1
15	4	15	1
16	5	16	1
17	6	17	1
18	8	18	1
19	9	19	1
20	9	20	1
21	10	21	1
22	11	22	1
23	11	23	1
24	14	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1