@<TRIPOS>MOLECULE
DB07503
24 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -2.0444     4.1239     5.7226	S.3	1	noname	-0.0001
2	C1    -3.4053     5.3631     5.4766	C.2	1	noname	0.0946
3	C2    -1.6157     3.9028     4.0563	C.2	1	noname	0.0768
4	O1    -3.9939     6.1324     6.2666	O.2	1	noname	-0.2709
5	N1    -3.5531     5.1264     4.0242	N.3	1	noname	0.0903
6	C3    -2.2256     4.9943     3.3770	C.2	1	noname	0.0780
7	C4    -1.1268     2.8416     3.4059	C.2	1	noname	0.0092
8	O2    -1.7513     5.6833     2.4482	O.2	1	noname	-0.2830
9	C5    -0.9253     1.5853     3.9157	C.2	1	noname	-0.0367
10	C6    -0.4494     1.3064     5.2364	C.2	1	noname	0.0037
11	C7    -1.5387     0.5887     3.0916	C.2	1	noname	-0.0400
12	C8    -0.7981     0.0397     5.7569	C.2	1	noname	0.0446
13	C9    -1.8268    -0.7002     3.5946	C.2	1	noname	-0.0067
14	O3    -0.6267    -0.4031     7.0210	O.3	1	noname	-0.2019
15	C10    -1.4715    -0.9033     4.9567	C.2	1	noname	0.0437
16	C11    -1.5332    -1.5241     6.9935	C.3	1	noname	0.4955
17	O4    -1.7550    -2.0057     5.6550	O.3	1	noname	-0.2023
18	F1    -1.0295    -2.5382     7.7665	F	1	noname	-0.1470
19	F2    -2.7407    -1.0717     7.4594	F	1	noname	-0.1470
20	H1    -4.4379     5.0637     3.5412	H	1	noname	0.1413
21	H2    -0.8681     3.0172     2.3617	H	1	noname	0.0642
22	H3     0.1439     2.0169     5.8119	H	1	noname	0.0657
23	H4    -1.7924     0.8168     2.0564	H	1	noname	0.0629
24	H5    -2.2861    -1.4753     2.9811	H	1	noname	0.0651
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	1
6	3	7	2
7	5	6	1
8	6	8	2
9	7	9	1
10	9	10	2
11	9	11	1
12	10	12	1
13	11	13	2
14	12	14	1
15	12	15	2
16	13	15	1
17	14	16	1
18	15	17	1
19	16	18	1
20	16	19	1
21	16	17	1
22	5	20	1
23	7	21	1
24	10	22	1
25	11	23	1
26	13	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1