@<TRIPOS>MOLECULE
DB03009
35 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     0.8044    -1.3262     1.1497	S.3	1	noname	-0.0281
2	C1     0.4287     0.1211     0.2093	C.2	1	noname	0.1034
3	C2     0.8099    -0.8085     2.9230	C.3	1	noname	0.0752
4	N1     0.3516     0.0742    -1.1610	N.2	1	noname	-0.1772
5	N2     0.2062     1.3191     0.8369	N.2	1	noname	-0.1884
6	C3     1.0736    -1.9389     3.9273	C.2	1	noname	0.0471
7	C4     0.0595     1.1896    -1.9063	C.2	1	noname	0.0887
8	C5    -0.0889     2.4637     0.1450	C.2	1	noname	0.0791
9	O1     1.2406    -3.1100     3.5233	O.2	1	noname	-0.2918
10	N3     1.1300    -1.6352     5.3896	N.3	1	noname	-0.0669
11	O2    -0.0068     1.1000    -3.2517	O.3	1	noname	-0.2493
12	C6    -0.1726     2.4328    -1.2713	C.2	1	noname	0.0632
13	C7    -0.3171     3.7140     0.8636	C.3	1	noname	0.4332
14	C8     1.8465    -2.7059     6.1403	C.3	1	noname	0.0058
15	C9     0.6580    -0.3497     6.0130	C.3	1	noname	0.0058
16	F1     0.8053     4.0407     1.5799	F	1	noname	-0.1645
17	F2    -1.3774     3.5623     1.7194	F	1	noname	-0.1645
18	F3    -0.5933     4.7130    -0.0338	F	1	noname	-0.1645
19	C10     1.9441    -2.5742     7.6698	C.3	1	noname	-0.0399
20	C11     0.3440    -0.4540     7.5306	C.3	1	noname	-0.0399
21	C12     1.3424    -1.3158     8.3357	C.3	1	noname	-0.0508
22	H1     1.6604    -0.1498     3.0987	H	1	noname	0.0481
23	H2    -0.1938    -0.4892     3.2035	H	1	noname	0.0481
24	H3    -0.0195     0.1756    -3.5106	H	1	noname	0.2199
25	H4    -0.4057     3.3278    -1.8482	H	1	noname	0.0690
26	H5     1.2533    -3.6025     5.9610	H	1	noname	0.0435
27	H6     2.8722    -2.6490     5.7757	H	1	noname	0.0435
28	H7     1.4992     0.3372     5.9200	H	1	noname	0.0435
29	H8    -0.2870    -0.1241     5.5187	H	1	noname	0.0435
30	H9     1.3569    -3.4063     8.0583	H	1	noname	0.0280
31	H10     3.0129    -2.5182     7.8762	H	1	noname	0.0280
32	H11     0.4461     0.5571     7.9246	H	1	noname	0.0280
33	H12    -0.6124    -0.9722     7.6005	H	1	noname	0.0280
34	H13     0.7643    -1.6965     9.1777	H	1	noname	0.0267
35	H14     2.1953    -0.6603     8.5122	H	1	noname	0.0267
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	1
6	4	7	1
7	5	8	2
8	6	9	2
9	6	10	1
10	7	11	1
11	7	12	2
12	8	13	1
13	8	12	1
14	10	14	1
15	10	15	1
16	13	16	1
17	13	17	1
18	13	18	1
19	14	19	1
20	15	20	1
21	19	21	1
22	20	21	1
23	3	22	1
24	3	23	1
25	11	24	1
26	12	25	1
27	14	26	1
28	14	27	1
29	15	28	1
30	15	29	1
31	19	30	1
32	19	31	1
33	20	32	1
34	20	33	1
35	21	34	1
36	21	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1