@<TRIPOS>MOLECULE
DB07217
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.2660     0.5181     0.1902	S.3	1	noname	-0.2184
2	C1     2.4128     2.1169    -0.5457	C.2	1	noname	0.0728
3	C2     1.4006    -0.3338    -1.0948	C.2	1	noname	0.0114
4	N1     2.9534     3.2286    -0.0286	N.3	1	noname	-0.1115
5	C3     1.8250     1.9353    -1.8019	C.2	1	noname	0.0475
6	C4     1.2848     0.6572    -2.0827	C.2	1	noname	0.0139
7	C5     0.8001    -1.6968    -1.1505	C.3	1	noname	0.0311
8	C6     2.9244     3.4345     1.2952	C.2	1	noname	0.1040
9	C7     1.7772     2.8925    -2.6684	C.1	1	noname	0.0769
10	C8     0.5518     0.3776    -3.3461	C.3	1	noname	0.0228
11	C9    -0.5596    -1.6093    -1.9234	C.3	1	noname	-0.0481
12	O1     2.3931     2.5896     2.0477	O.2	1	noname	-0.2733
13	C10     3.4852     4.5878     1.8316	C.2	1	noname	0.0375
14	N2     1.7347     3.7430    -3.4384	N.1	1	noname	-0.1806
15	C11    -0.5553    -0.7107    -3.2124	C.3	1	noname	-0.0488
16	C12     3.4552     4.8014     3.2048	C.2	1	noname	0.0636
17	C13     4.0760     5.5274     0.9948	C.2	1	noname	0.0003
18	F1     2.9022     3.9219     3.9879	F	1	noname	-0.1573
19	C14     4.0159     5.9546     3.7412	C.2	1	noname	0.0049
20	C15     4.6367     6.6806     1.5312	C.2	1	noname	-0.0500
21	C16     4.6067     6.8942     2.9044	C.2	1	noname	-0.0260
22	H1     3.3826     3.9114    -0.6366	H	1	noname	0.1383
23	H2     1.4828    -2.3047    -1.7442	H	1	noname	0.0324
24	H3     0.5804    -1.9734    -0.1193	H	1	noname	0.0324
25	H4     0.0444     1.3116    -3.5877	H	1	noname	0.0316
26	H5     1.3052    -0.0245    -4.0234	H	1	noname	0.0316
27	H6    -0.7573    -2.6219    -2.2753	H	1	noname	0.0270
28	H7    -1.2528    -1.1267    -1.2345	H	1	noname	0.0270
29	H8    -1.4899    -0.1513    -3.1708	H	1	noname	0.0270
30	H9    -0.3682    -1.3987    -4.0368	H	1	noname	0.0270
31	H10     4.0995     5.3599    -0.0820	H	1	noname	0.0631
32	H11     3.9924     6.1221     4.8180	H	1	noname	0.0653
33	H12     5.1000     7.4175     0.8751	H	1	noname	0.0622
34	H13     5.0464     7.7985     3.3250	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	2
5	3	6	2
6	3	7	1
7	4	8	1
8	5	9	1
9	5	6	1
10	6	10	1
11	7	11	1
12	8	12	2
13	8	13	1
14	9	14	3
15	10	15	1
16	11	15	1
17	13	16	2
18	13	17	1
19	16	18	1
20	16	19	1
21	17	20	2
22	19	21	2
23	20	21	1
24	4	22	1
25	7	23	1
26	7	24	1
27	10	25	1
28	10	26	1
29	11	27	1
30	11	28	1
31	15	29	1
32	15	30	1
33	17	31	1
34	19	32	1
35	20	33	1
36	21	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1