@<TRIPOS>MOLECULE
DB02834
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.9202     0.3272    -0.0241	S.3	1	noname	-0.1522
2	C1     0.2039     0.1856     0.3448	C.2	1	noname	0.0960
3	C2     1.9672     2.0120    -0.5270	C.2	1	noname	0.0746
4	C3    -0.6158    -0.8522     0.8750	C.2	1	noname	0.0856
5	C4    -0.2782     1.4861    -0.0046	C.2	1	noname	0.0968
6	N1     0.6552     2.3845    -0.4524	N.2	1	noname	-0.1989
7	C5     3.1213     2.8128    -0.9250	C.3	1	noname	0.0552
8	F1    -0.1290    -2.0092     1.2169	F	1	noname	-0.1541
9	C6    -1.9972    -0.5470     1.0078	C.2	1	noname	0.0805
10	C7    -1.6675     1.7638     0.1494	C.2	1	noname	0.1199
11	N2     4.0439     2.8693     0.1397	N.3	1	noname	-0.0711
12	C8    -2.5255     0.7351     0.6484	C.2	1	noname	0.1105
13	F2    -2.1467     2.9335    -0.1589	F	1	noname	-0.1390
14	C9     5.1867     3.5549     0.0003	C.2	1	noname	0.0217
15	F3    -3.7994     0.9656     0.7775	F	1	noname	-0.1461
16	O1     5.4349     4.1443    -1.0737	O.2	1	noname	-0.2934
17	C10     6.0963     3.6107     1.0499	C.2	1	noname	0.0125
18	C11     7.2818     4.3218     0.9053	C.2	1	noname	0.0550
19	C12     5.8203     2.9552     2.2442	C.2	1	noname	0.0064
20	O2     7.5498     4.9584    -0.2547	O.3	1	noname	-0.2571
21	C13     8.1913     4.3776     1.9549	C.2	1	noname	0.0340
22	C14     6.7298     3.0110     3.2939	C.2	1	noname	-0.0062
23	C15     8.2475     4.0807    -1.1260	C.3	1	noname	0.1390
24	C16     7.9153     3.7221     3.1492	C.2	1	noname	0.0450
25	C17     8.5374     4.7691    -2.3805	C.2	1	noname	0.1487
26	F4     8.7666     3.7743     4.1317	F	1	noname	-0.1619
27	O3     8.0897     4.3201    -3.4577	O.2	1	noname	-0.2461
28	O4     9.2889     5.8906    -2.3769	O.3	1	noname	-0.2113
29	H1     3.6230     2.2813    -1.7336	H	1	noname	0.0508
30	H2     2.7717     3.8338    -1.0784	H	1	noname	0.0508
31	H3    -2.6675    -1.3146     1.3945	H	1	noname	0.0685
32	H4     3.8822     2.4077     1.0234	H	1	noname	0.1318
33	H5     4.8906     2.3976     2.3576	H	1	noname	0.0632
34	H6     9.1209     4.9352     1.8415	H	1	noname	0.0681
35	H7     6.5134     2.4970     4.2304	H	1	noname	0.0653
36	H8     9.2026     3.8682    -0.6456	H	1	noname	0.0682
37	H9     7.5597     3.2668    -1.3553	H	1	noname	0.0682
38	H10     9.4657     6.1545    -1.4710	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	2
6	3	7	1
7	4	8	1
8	4	9	1
9	5	10	2
10	5	6	1
11	7	11	1
12	9	12	2
13	10	13	1
14	10	12	1
15	11	14	1
16	12	15	1
17	14	16	2
18	14	17	1
19	17	18	2
20	17	19	1
21	18	20	1
22	18	21	1
23	19	22	2
24	20	23	1
25	21	24	2
26	22	24	1
27	23	25	1
28	24	26	1
29	25	27	2
30	25	28	1
31	7	29	1
32	7	30	1
33	9	31	1
34	11	32	1
35	19	33	1
36	21	34	1
37	22	35	1
38	23	36	1
39	23	37	1
40	28	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1