@<TRIPOS>MOLECULE
76971184
36 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     6.6533     0.3039     1.5626	Br	1	noname	-0.0269
2	Cl1     6.1479     3.0867    -9.8351	Cl	1	noname	-0.0843
3	Cl2     5.2648     5.1867    -2.4639	Cl	1	noname	-0.0656
4	O1     3.0605     3.4298    -5.5743	O.2	1	noname	-0.2596
5	N1     6.6309     2.2665    -4.0347	N.3	1	noname	0.0707
6	N2     4.6131     2.6395    -0.9213	N.3	1	noname	0.0333
7	N3     4.3422     2.7365    -3.8255	N.2	1	noname	-0.1568
8	N4     4.8239     2.0612     0.2166	N.2	1	noname	-0.2439
9	N5     2.3406     3.3453    -0.5063	N.2	1	noname	-0.2373
10	C1     6.5465     2.5155    -5.3650	C.2	1	noname	0.0049
11	C2     5.2961     2.9515    -5.9527	C.2	1	noname	0.0062
12	C3     5.5202     2.3878    -3.2350	C.2	1	noname	0.0282
13	C4     5.5043     2.1592    -1.8296	C.2	1	noname	-0.0149
14	C5     7.6657     2.2416    -6.1995	C.2	1	noname	-0.0258
15	C6     4.1680     3.0580    -5.1296	C.2	1	noname	0.1137
16	C7     5.1470     3.1671    -7.3492	C.2	1	noname	0.0171
17	C8     7.5001     2.4087    -7.6092	C.2	1	noname	-0.0068
18	C9     6.4057     1.3476    -1.1399	C.2	1	noname	0.0480
19	C10     6.2687     2.8762    -8.1657	C.2	1	noname	-0.0039
20	C11     8.9394     1.8049    -5.6352	C.3	1	noname	0.0030
21	C12     3.5859     3.5678    -1.0781	C.2	1	noname	0.0720
22	C13     5.9229     1.2813     0.1626	C.2	1	noname	0.0642
23	C14     3.7435     4.7202    -1.9035	C.2	1	noname	0.0288
24	C15     2.5731     5.4676    -2.2414	C.2	1	noname	-0.0093
25	C16     1.1809     4.0391    -0.7932	C.2	1	noname	-0.0024
26	C17     1.2837     5.1254    -1.7122	C.2	1	noname	-0.0414
27	H1     7.4792     2.0015    -3.6460	H	1	noname	0.0652
28	H2     4.2739     3.5149    -7.7456	H	1	noname	0.0646
29	H3     8.2775     2.1895    -8.2321	H	1	noname	0.0641
30	H4     7.2421     0.8980    -1.5124	H	1	noname	0.0673
31	H5     9.1980     0.8252    -6.0370	H	1	noname	0.0280
32	H6     8.8537     1.7417    -4.5504	H	1	noname	0.0280
33	H7     9.7176     2.5219    -5.8970	H	1	noname	0.0280
34	H8     2.6563     6.2635    -2.8739	H	1	noname	0.0640
35	H9     0.2898     3.7857    -0.3665	H	1	noname	0.0840
36	H10     0.4541     5.6505    -1.9887	H	1	noname	0.0639
@<TRIPOS>BOND
1	1	22	1
2	2	19	1
3	3	23	1
4	4	15	2
5	5	10	1
6	5	12	1
7	5	27	1
8	6	8	1
9	6	13	1
10	6	21	1
11	7	12	2
12	7	15	1
13	8	22	2
14	9	21	1
15	9	25	2
16	10	11	2
17	10	14	1
18	11	15	1
19	11	16	1
20	12	13	1
21	13	18	2
22	14	17	2
23	14	20	1
24	16	19	2
25	16	28	1
26	17	19	1
27	17	29	1
28	18	22	1
29	18	30	1
30	20	31	1
31	20	32	1
32	20	33	1
33	21	23	2
34	23	24	1
35	24	26	2
36	24	34	1
37	25	26	1
38	25	35	1
39	26	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1