@<TRIPOS>MOLECULE
DB00879
26 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.5520    -2.8463    -1.1601	S.3	1	noname	-0.1239
2	C1    -0.1891    -3.1831     0.0260	C.3	1	noname	0.1283
3	C2    -2.4304    -1.4757    -0.3456	C.3	1	noname	0.0369
4	O1    -0.4073    -2.1493     1.0171	O.3	1	noname	-0.3450
5	C3    -0.3984    -4.5565     0.6669	C.3	1	noname	0.0790
6	C4    -1.1657    -1.0151     0.4386	C.3	1	noname	0.1332
7	O2     0.6547    -4.8167     1.5832	O.3	1	noname	-0.3926
8	N1    -1.5562     0.0268     1.3605	N.3	1	noname	0.0703
9	C5    -1.6522     1.3291     0.8960	C.2	1	noname	0.1078
10	C6    -1.9223    -0.2963     2.6667	C.2	1	noname	0.0080
11	O3    -1.3237     1.6267    -0.2728	O.2	1	noname	-0.2480
12	N2    -2.1216     2.2796     1.7680	N.2	1	noname	-0.1407
13	C7    -2.3981     0.6630     3.5952	C.2	1	noname	0.0434
14	C8    -2.4790     1.9804     3.0656	C.2	1	noname	0.0091
15	F1    -2.7298     0.3662     4.8177	F	1	noname	-0.1510
16	N3    -2.9192     2.9678     3.8573	N.3	1	noname	-0.1141
17	H1     0.8686    -3.1813    -0.2375	H	1	noname	0.0747
18	H2    -2.6987    -0.6896    -1.0514	H	1	noname	0.0422
19	H3    -3.1653    -1.8358     0.3744	H	1	noname	0.0422
20	H4    -1.3050    -4.5128     1.2705	H	1	noname	0.0600
21	H5    -0.2986    -5.3117    -0.1128	H	1	noname	0.0600
22	H6    -0.3985    -0.5419    -0.1743	H	1	noname	0.0796
23	H7     0.3250    -4.7352     2.4811	H	1	noname	0.2101
24	H8    -1.8332    -1.3384     2.9736	H	1	noname	0.0790
25	H9    -2.2862     3.6961     4.1556	H	1	noname	0.1258
26	H10    -3.8840     2.9838     4.1556	H	1	noname	0.1258
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	1
6	4	6	1
7	5	7	1
8	6	8	1
9	8	9	1
10	8	10	1
11	9	11	2
12	9	12	1
13	10	13	2
14	12	14	2
15	13	15	1
16	13	14	1
17	14	16	1
18	2	17	1
19	3	18	1
20	3	19	1
21	5	20	1
22	5	21	1
23	6	22	1
24	7	23	1
25	10	24	1
26	16	25	1
27	16	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1