@<TRIPOS>MOLECULE
DB03384
27 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     6.1935     0.0316    -3.0824	S.3	1	noname	-0.1779
2	C1     4.8551    -0.2119    -1.9037	C.3	1	noname	0.0033
3	C2     4.3758     1.1466    -1.3884	C.3	1	noname	0.0119
4	N1     3.3274     0.9558    -0.4650	N.3	1	noname	-0.0719
5	C3     2.7487     2.0136     0.1196	C.2	1	noname	0.0140
6	O1     3.4099     3.0547     0.3229	O.2	1	noname	-0.2902
7	C4     1.4131     1.9531     0.4999	C.2	1	noname	-0.0570
8	N2     0.7700     0.8255     0.8764	N.3	1	noname	-0.0260
9	C5     0.5473     3.0508     0.5464	C.2	1	noname	-0.0020
10	C6    -0.4979     1.1514     1.1796	C.2	1	noname	-0.0693
11	C7    -0.6762     2.5260     0.9444	C.2	1	noname	-0.0108
12	C8    -1.5635     0.3175     1.6478	C.2	1	noname	-0.0239
13	C9    -1.9493     3.1650     1.0892	C.2	1	noname	0.0150
14	C10    -2.8218     0.9572     1.8580	C.2	1	noname	0.0047
15	C11    -3.0149     2.3455     1.5659	C.2	1	noname	0.0314
16	F1    -4.1915     2.8726     1.7397	F	1	noname	-0.1647
17	H1     7.3224     0.2371    -2.4299	H	1	noname	0.1022
18	H2     3.9853    -0.6178    -2.4204	H	1	noname	0.0390
19	H3     5.2409    -0.7085    -1.0134	H	1	noname	0.0390
20	H4     5.1860     1.5978    -0.8156	H	1	noname	0.0441
21	H5     3.9304     1.6886    -2.2226	H	1	noname	0.0441
22	H6     2.9827     0.0395    -0.2165	H	1	noname	0.1314
23	H7     1.1685    -0.1014     0.9231	H	1	noname	0.1529
24	H8     0.7769     4.0922     0.3207	H	1	noname	0.0651
25	H9    -1.4243    -0.7473     1.8343	H	1	noname	0.0643
26	H10    -2.0991     4.2177     0.8496	H	1	noname	0.0660
27	H11    -3.6538     0.3724     2.2503	H	1	noname	0.0653
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	3	4	1
4	4	5	1
5	5	6	2
6	5	7	1
7	7	8	1
8	7	9	2
9	8	10	1
10	9	11	1
11	10	12	1
12	10	11	2
13	11	13	1
14	12	14	2
15	13	15	2
16	14	15	1
17	15	16	1
18	1	17	1
19	2	18	1
20	2	19	1
21	3	20	1
22	3	21	1
23	4	22	1
24	8	23	1
25	9	24	1
26	12	25	1
27	13	26	1
28	14	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1