@<TRIPOS>MOLECULE

34 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	C1     1.7674     1.5205    -1.8687	C.3	1	noname	0.0743
2	C2     1.5110     0.7351    -3.1792	C.3	1	noname	0.1110
3	C3     2.7506    -0.0923    -3.5913	C.3	1	noname	0.1148
4	C4     2.0789    -1.0514    -4.5848	C.3	1	noname	0.1254
5	C5     0.7508    -1.3627    -3.8557	C.3	1	noname	0.1586
6	O1     0.4199    -0.1958    -3.0747	O.3	1	noname	-0.3484
7	N1    -0.2889    -1.7700    -4.7639	N.3	1	noname	0.0379
8	C6    -1.1875    -0.9829    -5.3822	C.2	1	noname	0.0182
9	C7    -1.9666    -1.7908    -6.2024	C.2	1	noname	0.0708
10	C8    -2.9875    -1.2082    -6.9689	C.2	1	noname	0.1464
11	O2    -3.7107    -1.8878    -7.7303	O.2	1	noname	-0.2464
12	N2    -3.1822     0.1340    -6.8574	N.2	1	noname	-0.1573
13	C9    -2.4129     0.9088    -6.0398	C.2	1	noname	-0.0475
14	N3    -1.4086     0.3539    -5.3105	N.3	1	noname	0.0750
15	N4    -2.6539     2.2213    -5.9317	N.3	1	noname	-0.1336
16	N5    -1.5612    -3.0591    -6.0831	N.2	1	noname	-0.1808
17	C10    -0.5454    -3.0290    -5.1979	C.2	1	noname	0.0087
18	Br1     0.3583    -4.5769    -4.6978	Br	1	noname	-0.0104
19	O3     2.8544    -2.2158    -4.8595	O.3	1	noname	-0.3857
20	O4     3.3381    -0.8777    -2.5249	O.3	1	noname	-0.2735
21	P1     3.6119    -0.0843    -1.1739	P	1	noname	-0.1877
22	S1     5.1547     1.0835    -1.3331	S.2	1	noname	-0.1416
23	O5     2.2899     0.7182    -0.7920	O.3	1	noname	-0.2778
24	O6     3.8774    -1.1464    -0.0370	O.3	1	noname	-0.4810
25	H1     2.5577     2.2420    -2.0759	H	1	noname	0.0587
26	H2     0.7987     1.8629    -1.5047	H	1	noname	0.0587
27	H3     1.2078     1.4640    -3.9308	H	1	noname	0.0656
28	H4     3.6084     0.5022    -3.9057	H	1	noname	0.0653
29	H5     1.9947    -0.6864    -5.6084	H	1	noname	0.0674
30	H6     0.7845    -2.2136    -3.1753	H	1	noname	0.0853
31	H7    -0.8296     0.9318    -4.7182	H	1	noname	0.0676
32	H8    -1.8845     2.8744    -5.8909	H	1	noname	0.1257
33	H9    -3.6051     2.5584    -5.8909	H	1	noname	0.1257
34	H10     3.1251    -2.6222    -4.0330	H	1	noname	0.2107
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	3	4	1
4	4	5	1
5	5	6	1
6	2	6	1
7	5	7	1
8	7	8	1
9	8	9	2
10	9	10	1
11	10	11	2
12	10	12	1
13	12	13	2
14	13	14	1
15	8	14	1
16	13	15	1
17	9	16	1
18	16	17	2
19	7	17	1
20	17	18	1
21	4	19	1
22	3	20	1
23	20	21	1
24	21	22	2
25	21	23	1
26	1	23	1
27	21	24	1
28	1	25	1
29	1	26	1
30	2	27	1
31	3	28	1
32	4	29	1
33	5	30	1
34	14	31	1
35	15	32	1
36	15	33	1
37	19	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1