@<TRIPOS>MOLECULE
DB07544
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -2.8692    -0.9621    -5.1814	Cl	1	noname	-0.0831
2	C1    -1.7629    -0.1468    -4.2029	C.2	1	noname	-0.0029
3	C2    -2.0380     1.2015    -3.7958	C.2	1	noname	0.0021
4	C3    -0.5590    -0.8120    -3.7890	C.2	1	noname	-0.0090
5	C4    -1.0833     1.8330    -2.9524	C.2	1	noname	0.0256
6	C5     0.3935    -0.1550    -2.9390	C.2	1	noname	0.0084
7	C6     0.0855     1.1713    -2.5243	C.2	1	noname	0.0522
8	C7    -1.0482     3.1254    -2.4514	C.2	1	noname	0.0508
9	O1     0.7991     2.0318    -1.7677	O.3	1	noname	-0.3263
10	C8     0.1372     3.2171    -1.7198	C.2	1	noname	0.0917
11	C9     0.5744     4.3504    -1.0442	C.2	1	noname	0.0752
12	O2    -0.1134     5.3940    -1.0640	O.2	1	noname	-0.2742
13	N1     1.7332     4.3243    -0.3718	N.3	1	noname	0.0061
14	N2     2.1553     5.4186     0.2804	N.3	1	noname	0.0341
15	S1     3.6709     5.0839     1.0490	S	1	noname	-0.0934
16	O3     4.7657     4.7587    -0.0572	O.2	1	noname	-0.1915
17	O4     3.5091     3.8337     2.0181	O.2	1	noname	-0.1915
18	C10     4.1696     6.4635     1.9659	C.2	1	noname	0.0534
19	C11     4.5660     7.6252     1.3137	C.2	1	noname	0.0594
20	C12     4.1740     6.4103     3.3549	C.2	1	noname	0.0220
21	C13     4.9667     8.7337     2.0504	C.2	1	noname	-0.0015
22	C14     4.5614     7.6811    -0.1453	C.3	1	noname	0.4176
23	C15     4.5747     7.5188     4.0916	C.2	1	noname	-0.0332
24	C16     4.9710     8.6805     3.4394	C.2	1	noname	-0.0213
25	F1     3.3403     8.1261    -0.5817	F	1	noname	-0.1660
26	F2     5.5405     8.5404    -0.5727	F	1	noname	-0.1660
27	F3     4.7993     6.4293    -0.6513	F	1	noname	-0.1660
28	H1    -2.9384     1.7262    -4.1153	H	1	noname	0.0645
29	H2    -0.3652    -1.8306    -4.1249	H	1	noname	0.0639
30	H3     1.3144    -0.6439    -2.6211	H	1	noname	0.0651
31	H4    -1.7951     3.9050    -2.6011	H	1	noname	0.0659
32	H5     2.2880     3.4805    -0.3566	H	1	noname	0.1523
33	H6     1.5428     6.2190     0.2153	H	1	noname	0.1646
34	H7     3.8631     5.4994     3.8664	H	1	noname	0.0639
35	H8     5.2775     9.6447     1.5389	H	1	noname	0.0629
36	H9     4.5780     7.4771     5.1808	H	1	noname	0.0623
37	H10     5.2852     9.5498     4.0171	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	2
6	5	7	2
7	5	8	1
8	6	7	1
9	7	9	1
10	8	10	2
11	9	10	1
12	10	11	1
13	11	12	2
14	11	13	1
15	13	14	1
16	14	15	1
17	15	16	2
18	15	17	2
19	15	18	1
20	18	19	2
21	18	20	1
22	19	21	1
23	19	22	1
24	20	23	2
25	21	24	2
26	22	25	1
27	22	26	1
28	22	27	1
29	23	24	1
30	3	28	1
31	4	29	1
32	6	30	1
33	8	31	1
34	13	32	1
35	14	33	1
36	20	34	1
37	21	35	1
38	23	36	1
39	24	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1