@<TRIPOS>MOLECULE
DB03804
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1    -1.0577    -0.3302    -7.1956	Br	1	noname	-0.0389
2	C1    -1.3984    -0.3849    -5.3709	C.2	1	noname	0.0536
3	S1    -1.0435    -1.6698    -4.2245	S.3	1	noname	-0.1795
4	C2    -2.0015     0.5856    -4.5646	C.2	1	noname	0.0045
5	C3    -1.6777    -0.9389    -2.7426	C.2	1	noname	0.0407
6	C4    -2.1496     0.3059    -3.1941	C.2	1	noname	0.0008
7	C5    -1.7196    -1.4607    -1.4228	C.2	1	noname	0.0517
8	C6    -2.2351    -0.7905    -0.2718	C.2	1	noname	0.0731
9	C7    -1.2024    -2.7521    -1.1904	C.2	1	noname	-0.0251
10	O1    -2.7172     0.3565    -0.3931	O.2	1	noname	-0.2848
11	N1    -2.2102    -1.3840     0.9642	N.3	1	noname	0.0825
12	N2    -1.1501    -3.3187     0.0589	N.3	1	noname	0.0390
13	C8    -1.6663    -2.6325     1.1341	C.2	1	noname	0.0307
14	C9    -0.6335    -4.6239     0.2941	C.3	1	noname	0.1250
15	O2    -1.6396    -3.1492     2.2720	O.2	1	noname	-0.2797
16	O3    -1.6625    -5.5805     0.1494	O.3	1	noname	-0.3538
17	C10     0.5540    -5.1435    -0.5543	C.3	1	noname	0.0167
18	C11    -0.9277    -6.7864     0.2822	C.3	1	noname	0.1087
19	C12     0.4011    -6.6422    -0.4482	C.3	1	noname	0.0864
20	C13    -1.7245    -7.9394    -0.3316	C.3	1	noname	0.0721
21	O4     1.4443    -7.1684     0.3588	O.3	1	noname	-0.3900
22	O5    -2.9682    -8.0664     0.3416	O.3	1	noname	-0.3934
23	H1    -2.3447     1.5286    -4.9902	H	1	noname	0.0643
24	H2    -2.6093     1.0216    -2.5125	H	1	noname	0.0638
25	H3    -0.8222    -3.3450    -2.0223	H	1	noname	0.0766
26	H4    -2.5971    -0.8956     1.7590	H	1	noname	0.1418
27	H5    -0.3310    -4.4794     1.3313	H	1	noname	0.0788
28	H6     0.3872    -4.8633    -1.5944	H	1	noname	0.0335
29	H7     1.4838    -4.8664    -0.0576	H	1	noname	0.0335
30	H8    -0.7806    -6.9294     1.3527	H	1	noname	0.0655
31	H9     0.4883    -7.1864    -1.3886	H	1	noname	0.0629
32	H10    -1.9753    -7.6682    -1.3571	H	1	noname	0.0591
33	H11    -1.1880    -8.8663    -0.1287	H	1	noname	0.0591
34	H12     1.2202    -7.0554     1.2854	H	1	noname	0.2105
35	H13    -2.8216    -8.0514     1.2903	H	1	noname	0.2101
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	2	4	2
4	3	5	1
5	4	6	1
6	5	7	1
7	5	6	2
8	7	8	1
9	7	9	2
10	8	10	2
11	8	11	1
12	9	12	1
13	11	13	1
14	14	12	1
15	12	13	1
16	13	15	2
17	14	16	1
18	14	17	1
19	16	18	1
20	17	19	1
21	18	20	1
22	18	19	1
23	19	21	1
24	20	22	1
25	4	23	1
26	6	24	1
27	9	25	1
28	11	26	1
29	14	27	1
30	17	28	1
31	17	29	1
32	18	30	1
33	19	31	1
34	20	32	1
35	20	33	1
36	21	34	1
37	22	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1