@<TRIPOS>MOLECULE
DB06857
35 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	I1    -0.2130    -1.3714     2.2012	I	1	noname	-0.0414
2	C1     0.4049    -0.2903     0.5727	C.2	1	noname	0.0129
3	C2     1.6771     0.2694     0.5521	C.2	1	noname	0.0549
4	C3    -0.4483    -0.1170    -0.5109	C.2	1	noname	-0.0125
5	O1     2.5057     0.1011     1.6045	O.3	1	noname	-0.2727
6	C4     2.0961     1.0025    -0.5521	C.2	1	noname	0.0190
7	C5    -0.0293     0.6161    -1.6151	C.2	1	noname	-0.0488
8	C6     3.3682     1.5622    -0.5727	C.2	1	noname	0.0958
9	C7     1.2429     1.1758    -1.6357	C.2	1	noname	-0.0079
10	C8    -0.9254     0.7981    -2.7532	C.3	1	noname	-0.0021
11	O2     3.9662     1.7152    -1.6597	O.2	1	noname	-0.2747
12	N1     3.9536     1.9377     0.5727	N.3	1	noname	-0.1359
13	C9     5.1800     2.4773     0.5528	C.2	1	noname	-0.0104
14	C10     5.7872     2.8669     1.7409	C.2	1	noname	0.0040
15	C11     5.8450     2.6475    -0.6559	C.2	1	noname	-0.0261
16	C12     7.0594     3.4266     1.7203	C.2	1	noname	0.0156
17	C13     7.1171     3.2072    -0.6765	C.2	1	noname	-0.0214
18	Cl1     7.7963     3.8994     3.1623	Cl	1	noname	-0.0747
19	C14     7.7243     3.5967     0.5116	C.2	1	noname	0.0045
20	C15     8.9690     4.1444     0.4915	C.2	1	noname	-0.0684
21	N2     9.5790     4.3004    -0.6172	N.2	1	noname	-0.2728
22	N3     9.5413     4.5115     1.6112	N.3	1	noname	-0.1360
23	H1    -1.4458    -0.5559    -0.4947	H	1	noname	0.0637
24	H2     2.6323    -0.8368     1.7653	H	1	noname	0.2182
25	H3     1.5714     1.7506    -2.5015	H	1	noname	0.0634
26	H4    -1.2277    -0.1762    -3.1371	H	1	noname	0.0279
27	H5    -1.8080     1.3533    -2.4355	H	1	noname	0.0279
28	H6    -0.4096     1.3533    -3.5367	H	1	noname	0.0279
29	H7     3.4704     1.8141     1.4510	H	1	noname	0.1374
30	H8     5.2658     2.7335     2.6888	H	1	noname	0.0655
31	H9     5.3688     2.3420    -1.5876	H	1	noname	0.0639
32	H10     7.6386     3.3406    -1.6243	H	1	noname	0.0631
33	H11     9.7962     3.3966    -1.0121	H	1	noname	0.1888
34	H12    10.5408     4.6531     1.6448	H	1	noname	0.1257
35	H13     8.9831     4.6531     2.4409	H	1	noname	0.1257
@<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	1
8	6	9	2
9	7	10	1
10	7	9	1
11	8	11	2
12	8	12	1
13	12	13	1
14	13	14	2
15	13	15	1
16	14	16	1
17	15	17	2
18	16	18	1
19	16	19	2
20	17	19	1
21	19	20	1
22	20	21	2
23	20	22	1
24	4	23	1
25	5	24	1
26	9	25	1
27	10	26	1
28	10	27	1
29	10	28	1
30	12	29	1
31	14	30	1
32	15	31	1
33	17	32	1
34	21	33	1
35	22	34	1
36	22	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1