@<TRIPOS>MOLECULE
DB04438
37 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1    -1.4003     4.6987     4.2825	Br	1	noname	-0.0594
2	C1    -1.4439     2.8848     4.0689	C.2	1	noname	-0.0215
3	C2    -1.7452     2.1008     5.1001	C.2	1	noname	-0.0070
4	C3    -1.7777     0.7505     4.9411	C.2	1	noname	0.0183
5	C4    -2.0906    -0.1402     5.9961	C.2	1	noname	0.0472
6	C5    -1.5005     0.1134     3.7027	C.2	1	noname	-0.0349
7	O1    -2.3577     0.3656     7.2190	O.3	1	noname	-0.2544
8	N1    -2.1319    -1.5062     5.8170	N.2	1	noname	-0.1253
9	N2    -1.5384    -1.2620     3.5431	N.3	1	noname	0.0591
10	C6    -1.8739    -2.0883     4.6036	C.2	1	noname	0.1097
11	C7    -1.2549    -1.7538     2.2187	C.3	1	noname	0.1256
12	O2    -1.9393    -3.3280     4.4578	O.2	1	noname	-0.2474
13	O3    -2.4662    -1.8472     1.4665	O.3	1	noname	-0.3537
14	C8    -0.5455    -3.1142     2.0332	C.3	1	noname	0.0167
15	C9    -2.0007    -2.4807     0.2744	C.3	1	noname	0.1100
16	C10    -0.9926    -3.5709     0.6503	C.3	1	noname	0.0864
17	C11    -3.1835    -3.1120    -0.4628	C.3	1	noname	0.0913
18	O4     0.1102    -3.5243    -0.2430	O.3	1	noname	-0.3900
19	O5    -4.1245    -2.1033    -0.7993	O.3	1	noname	-0.1525
20	P1    -5.3150    -2.7387    -1.5413	P	1	noname	0.0149
21	O6    -6.2693    -1.7157    -1.8826	O.2	1	noname	-0.1967
22	O7    -5.9868    -3.7850    -0.6328	O.3	1	noname	-0.1645
23	O8    -4.8130    -3.4219    -2.8270	O.3	1	noname	-0.1645
24	H1    -1.2722     2.1986     3.2395	H	1	noname	0.0703
25	H2    -1.9630     2.5596     6.0645	H	1	noname	0.0636
26	H3    -1.2452     0.7120     2.8283	H	1	noname	0.0765
27	H4    -2.4934    -0.3537     7.8401	H	1	noname	0.2199
28	H5    -0.5966    -0.9477     1.8946	H	1	noname	0.0788
29	H6     0.5289    -2.9350     1.9930	H	1	noname	0.0335
30	H7    -0.9545    -3.8134     2.7626	H	1	noname	0.0335
31	H8    -1.5391    -1.6959    -0.3249	H	1	noname	0.0656
32	H9    -1.3426    -4.6006     0.5769	H	1	noname	0.0630
33	H10    -2.8201    -3.4998    -1.4145	H	1	noname	0.0605
34	H11    -3.7013    -3.7724     0.2327	H	1	noname	0.0605
35	H12     0.9276    -3.4897     0.2592	H	1	noname	0.2105
36	H13    -5.8379    -3.5531     0.2868	H	1	noname	0.2283
37	H14    -4.8547    -4.3750    -2.7201	H	1	noname	0.2283
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	3	4	1
4	4	5	1
5	4	6	2
6	5	7	1
7	5	8	2
8	6	9	1
9	8	10	1
10	11	9	1
11	9	10	1
12	10	12	2
13	11	13	1
14	11	14	1
15	13	15	1
16	14	16	1
17	15	17	1
18	15	16	1
19	16	18	1
20	17	19	1
21	19	20	1
22	20	21	2
23	20	22	1
24	20	23	1
25	2	24	1
26	3	25	1
27	6	26	1
28	7	27	1
29	11	28	1
30	14	29	1
31	14	30	1
32	15	31	1
33	16	32	1
34	17	33	1
35	17	34	1
36	18	35	1
37	22	36	1
38	23	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1