@<TRIPOS>MOLECULE
118856509
37 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     0.5838    -5.8879     5.2600	Br	1	noname	-0.0450
2	Br2     1.1789    -1.4822     6.9935	Br	1	noname	-0.0436
3	Br3     1.4330    -7.0513    -0.2450	Br	1	noname	-0.0479
4	Br4     1.9117     2.8508     3.3050	Br	1	noname	-0.0465
5	Cl1     0.2046    -3.1479    -0.7451	Cl	1	noname	-0.0661
6	Cl2     4.6387     1.2082    -1.3382	Cl	1	noname	-0.0582
7	Cl3     1.6228    -2.7231    -3.4358	Cl	1	noname	-0.0568
8	Cl4     3.4965    -0.3204    -3.7337	Cl	1	noname	-0.0600
9	O1     1.3710    -3.0763     4.3359	O.3	1	noname	-0.1876
10	O2     0.7300    -7.5724     2.6967	O.3	1	noname	-0.2711
11	O3     1.4522     1.3896     5.9479	O.2	1	noname	-0.2829
12	O4     4.7042    -1.0747     2.3327	O.3	1	noname	-0.2171
13	O5     4.8562     0.8953     1.2518	O.2	1	noname	-0.2568
14	C1     1.9466    -2.1740     1.7504	C.2	1	noname	0.0220
15	C2     1.8195    -3.5817     2.0244	C.2	1	noname	-0.0012
16	C3     1.7052    -1.2475     2.8230	C.2	1	noname	0.0242
17	C4     2.3359    -1.6913     0.4271	C.2	1	noname	0.0580
18	C5     1.3990    -3.9901     3.3191	C.2	1	noname	0.0550
19	C6     1.5538    -1.7283     4.1572	C.2	1	noname	0.0422
20	C7     2.0007    -4.6177     1.0596	C.2	1	noname	0.0024
21	C8     1.6804     0.1656     2.6363	C.2	1	noname	0.0253
22	C9     3.4155    -0.7293     0.2444	C.2	1	noname	0.0511
23	C10     1.0230    -5.3320     3.5459	C.2	1	noname	0.0489
24	C11     1.5285    -0.8368     5.2711	C.2	1	noname	0.1094
25	C12     1.6412    -2.1839    -0.7409	C.2	1	noname	0.0502
26	C13     1.4985    -5.9110     1.2295	C.2	1	noname	0.0074
27	C14     1.6699     1.0614     3.7048	C.2	1	noname	0.0758
28	C15     1.0458    -6.2747     2.4987	C.2	1	noname	0.0610
29	C16     1.5840     0.5629     5.0176	C.2	1	noname	0.1211
30	C17     3.6389    -0.1745    -1.0444	C.2	1	noname	0.0768
31	C18     2.1482    -1.8858    -2.0267	C.2	1	noname	0.0767
32	C19     3.0766    -0.8305    -2.1637	C.2	1	noname	0.0663
33	C20     4.3720    -0.2555     1.3124	C.2	1	noname	0.0984
34	H1     2.4778    -4.4565     0.1790	H	1	noname	0.0642
35	H2     1.6699     0.5351     1.6856	H	1	noname	0.0643
36	H3     0.5008    -7.7127     3.6392	H	1	noname	0.2182
37	H4     4.9314    -0.6989     3.2088	H	1	noname	0.2216
@<TRIPOS>BOND
1	1	23	1
2	2	24	1
3	3	26	1
4	4	27	1
5	5	25	1
6	6	30	1
7	7	31	1
8	8	32	1
9	9	18	1
10	9	19	1
11	10	28	1
12	10	36	1
13	11	29	2
14	12	33	1
15	12	37	1
16	13	33	2
17	14	15	1
18	14	16	2
19	14	17	1
20	15	18	1
21	15	20	2
22	16	19	1
23	16	21	1
24	17	22	2
25	17	25	1
26	18	23	2
27	19	24	2
28	20	26	1
29	20	34	1
30	21	27	2
31	21	35	1
32	22	30	1
33	22	33	1
34	23	28	1
35	24	29	1
36	25	31	2
37	26	28	2
38	27	29	1
39	30	32	2
40	31	32	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1