@<TRIPOS>MOLECULE
DB01583
34 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	I1     0.8645    -0.5654     2.1537	I	1	noname	-0.0413
2	C1     0.8149     0.4277     0.3610	C.2	1	noname	0.0185
3	C2     1.7971     0.1891    -0.5931	C.2	1	noname	0.0516
4	C3    -0.2010     1.3397     0.0996	C.2	1	noname	-0.0182
5	O1     2.7838    -0.6967    -0.3392	O.3	1	noname	-0.1945
6	C4     1.7634     0.8624    -1.8087	C.2	1	noname	0.0185
7	C5    -0.2347     2.0130    -1.1159	C.2	1	noname	-0.0462
8	C6     3.8220    -0.0593     0.2424	C.2	1	noname	0.0056
9	I2     3.2121     0.5105    -3.2158	I	1	noname	-0.0413
10	C7     0.7475     1.7744    -2.0701	C.2	1	noname	-0.0182
11	C8    -1.3018     2.9710    -1.3905	C.3	1	noname	-0.0130
12	C9     4.9623    -0.7698     0.5986	C.2	1	noname	0.0131
13	C10     3.7506     1.3075     0.4851	C.2	1	noname	0.0131
14	C11    -0.8706     4.3626    -0.9232	C.3	1	noname	0.0466
15	C12     6.0313    -0.1135     1.1975	C.2	1	noname	0.0205
16	C13     4.8196     1.9638     1.0840	C.2	1	noname	0.0205
17	N1    -1.9391     5.3218    -1.1981	N.3	1	noname	-0.3279
18	C14     0.3384     4.7628    -1.6372	C.2	1	noname	-0.0630
19	I3     7.7132    -1.1614     1.7228	I	1	noname	-0.0413
20	C15     5.9600     1.2533     1.4402	C.2	1	noname	0.0393
21	I4     4.7144     3.9796     1.4419	I	1	noname	-0.0413
22	O2     1.3848     5.0153    -1.0018	O.2	1	noname	-0.4754
23	O3     0.3261     4.8603    -2.9836	O.3	1	noname	-0.4754
24	O4     6.9982     1.8907     2.0218	O.3	1	noname	-0.2754
25	H1    -0.9713     1.5268     0.8478	H	1	noname	0.0637
26	H2     0.7211     2.3025    -3.0233	H	1	noname	0.0637
27	H3    -1.4026     3.0046    -2.4753	H	1	noname	0.0328
28	H4    -2.1464     2.6637    -0.7739	H	1	noname	0.0328
29	H5     5.0183    -1.8416     0.4083	H	1	noname	0.0662
30	H6     2.8564     1.8647     0.2058	H	1	noname	0.0662
31	H7    -0.6572     4.3861     0.1455	H	1	noname	0.0450
32	H8    -1.7239     6.3040    -1.2931	H	1	noname	0.1183
33	H9    -2.8925     5.0022    -1.2931	H	1	noname	0.1183
34	H10     6.9120     1.8377     2.9764	H	1	noname	0.2182
@<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	5	8	1
8	6	9	1
9	6	10	2
10	7	11	1
11	7	10	1
12	8	12	2
13	8	13	1
14	11	14	1
15	12	15	1
16	13	16	2
17	14	17	1
18	14	18	1
19	15	19	1
20	15	20	2
21	16	21	1
22	16	20	1
23	18	22	2
24	18	23	1
25	20	24	1
26	4	25	1
27	10	26	1
28	11	27	1
29	11	28	1
30	12	29	1
31	13	30	1
32	14	31	1
33	17	32	1
34	17	33	1
35	24	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1