@<TRIPOS>MOLECULE
DB05351
39 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     7.8185     3.7233     2.9748	S.2	1	noname	0.1665
2	O1     8.8218     2.8523     3.8766	O.2	1	noname	-0.2884
3	C1     7.5416     5.2659     3.7693	C.2	1	noname	-0.0038
4	C2     6.2038     2.8295     2.8999	C.3	1	noname	0.0567
5	N1     6.7271     6.2168     3.2743	N.2	1	noname	-0.1998
6	N2     8.1351     5.6416     4.9158	N.3	1	noname	-0.0068
7	C3     6.4387     1.5594     2.2407	C.2	1	noname	0.0077
8	C4     6.7980     7.2399     4.1349	C.2	1	noname	0.0157
9	C5     7.6589     6.8612     5.1863	C.2	1	noname	-0.0431
10	N3     6.1317     0.3969     2.9251	N.2	1	noname	-0.2624
11	C6     6.9584     1.5331     0.9157	C.2	1	noname	0.0121
12	C7     6.1472     8.5085     4.1056	C.2	1	noname	-0.0100
13	C8     7.8865     7.7023     6.3176	C.2	1	noname	-0.0326
14	C9     6.3117    -0.8555     2.3701	C.2	1	noname	-0.0040
15	C10     7.1622     0.2536     0.3230	C.2	1	noname	0.0124
16	C11     7.2692     2.7643     0.1951	C.3	1	noname	0.0204
17	C12     6.3862     9.3705     5.2196	C.2	1	noname	-0.0439
18	C13     7.2276     8.9692     6.3098	C.2	1	noname	-0.0475
19	C14     6.8382    -0.9405     1.0413	C.2	1	noname	0.0019
20	O2     7.6653     0.1672    -0.9268	O.3	1	noname	-0.2664
21	C15     9.0824     0.1021    -0.8632	C.3	1	noname	0.1490
22	C16     9.6525     0.0042    -2.2796	C.3	1	noname	0.4120
23	F1    11.0207    -0.0586    -2.2182	F	1	noname	-0.1684
24	F2     9.2776     1.1086    -3.0005	F	1	noname	-0.1684
25	F3     9.1701    -1.1249    -2.8895	F	1	noname	-0.1684
26	H1     5.8762     2.5335     3.8965	H	1	noname	0.0417
27	H2     5.5110     3.3331     2.2257	H	1	noname	0.0417
28	H3     8.8020     5.1155     5.4621	H	1	noname	0.1544
29	H4     5.5027     8.8031     3.2774	H	1	noname	0.0645
30	H5     8.5286     7.3940     7.1427	H	1	noname	0.0643
31	H6     6.0500    -1.7374     2.9548	H	1	noname	0.0840
32	H7     7.4706     3.5625     0.9096	H	1	noname	0.0281
33	H8     8.1474     2.6070    -0.4311	H	1	noname	0.0281
34	H9     6.4215     3.0426    -0.4311	H	1	noname	0.0281
35	H10     5.9169    10.3541     5.2382	H	1	noname	0.0623
36	H11     7.3700     9.6442     7.1537	H	1	noname	0.0623
37	H12     6.9923    -1.9143     0.5766	H	1	noname	0.0666
38	H13     9.3984     1.0543    -0.4371	H	1	noname	0.0667
39	H14     9.3077    -0.8291    -0.3435	H	1	noname	0.0667
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	1	4	1
4	3	5	2
5	3	6	1
6	4	7	1
7	5	8	1
8	6	9	1
9	7	10	2
10	7	11	1
11	8	12	1
12	8	9	2
13	9	13	1
14	10	14	1
15	11	15	2
16	11	16	1
17	12	17	2
18	13	18	2
19	14	19	2
20	15	20	1
21	15	19	1
22	17	18	1
23	20	21	1
24	21	22	1
25	22	23	1
26	22	24	1
27	22	25	1
28	4	26	1
29	4	27	1
30	6	28	1
31	12	29	1
32	13	30	1
33	14	31	1
34	16	32	1
35	16	33	1
36	16	34	1
37	17	35	1
38	18	36	1
39	19	37	1
40	21	38	1
41	21	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1