@<TRIPOS>MOLECULE
DB06623
39 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	F1     0.0861    -1.5759    -1.1684	F	1	noname	-0.1655
2	C1     0.5450    -0.3762    -0.9615	C.2	1	noname	0.0231
3	C2     1.2574    -0.1154     0.2538	C.2	1	noname	-0.0062
4	C3     0.3159     0.6263    -1.9590	C.2	1	noname	-0.0062
5	C4     1.7486     1.2066     0.4803	C.2	1	noname	-0.0366
6	C5     0.8121     1.9443    -1.7207	C.2	1	noname	-0.0366
7	C6     1.5089     2.2207    -0.5012	C.2	1	noname	-0.0511
8	C7     2.1314     3.5244    -0.3290	C.3	1	noname	0.0265
9	N1     1.4185     4.5721     0.3254	N.3	1	noname	-0.1063
10	C8     1.8939     5.8397     0.5481	C.2	1	noname	0.0204
11	N2     1.0343     6.7066     1.2044	N.2	1	noname	-0.2769
12	C9     3.1866     6.3357     0.1643	C.2	1	noname	-0.0627
13	C10     1.2994     8.0196     1.5317	C.2	1	noname	0.0439
14	C11     3.4916     7.6895     0.4883	C.2	1	noname	-0.0217
15	N3     0.3940     8.7738     2.1697	N.3	1	noname	-0.1103
16	C12     2.5665     8.5410     1.1673	C.2	1	noname	-0.0378
17	N4     2.8907     9.8091     1.4545	N.3	1	noname	-0.1124
18	C13     3.7354    10.4810     0.6604	C.2	1	noname	0.1296
19	O1     4.0378    11.6639     0.9283	O.2	1	noname	-0.2324
20	O2     4.2599     9.8803    -0.4289	O.3	1	noname	-0.1883
21	C14     5.1551    10.5923    -1.2704	C.3	1	noname	0.0549
22	C15     5.5987     9.6893    -2.4231	C.3	1	noname	-0.0409
23	H1     1.4217    -0.9038     0.9884	H	1	noname	0.0653
24	H2    -0.2229     0.3919    -2.8771	H	1	noname	0.0653
25	H3     2.2998     1.4388     1.3916	H	1	noname	0.0627
26	H4     0.6607     2.7301    -2.4609	H	1	noname	0.0627
27	H5     2.9890     3.3428     0.3188	H	1	noname	0.0482
28	H6     2.2827     3.8993    -1.3413	H	1	noname	0.0482
29	H7     0.4833     4.3990     0.6653	H	1	noname	0.1300
30	H8     3.9104     5.7070    -0.3544	H	1	noname	0.0656
31	H9     4.4666     8.0876     0.2069	H	1	noname	0.0641
32	H10     0.6127     9.7301     2.4101	H	1	noname	0.1258
33	H11    -0.5070     8.3861     2.4101	H	1	noname	0.1258
34	H12     2.4982    10.2585     2.2694	H	1	noname	0.1397
35	H13     4.5710    11.4119    -1.6890	H	1	noname	0.0570
36	H14     6.0278    10.8049    -0.6529	H	1	noname	0.0570
37	H15     5.4862     8.6453    -2.1308	H	1	noname	0.0254
38	H16     4.9824     9.8897    -3.2995	H	1	noname	0.0254
39	H17     6.6436     9.8897    -2.6602	H	1	noname	0.0254
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	2
6	5	7	2
7	6	7	1
8	7	8	1
9	8	9	1
10	9	10	1
11	10	11	2
12	10	12	1
13	11	13	1
14	12	14	2
15	13	15	1
16	13	16	2
17	14	16	1
18	16	17	1
19	17	18	1
20	18	19	2
21	18	20	1
22	20	21	1
23	21	22	1
24	3	23	1
25	4	24	1
26	5	25	1
27	6	26	1
28	8	27	1
29	8	28	1
30	9	29	1
31	12	30	1
32	14	31	1
33	15	32	1
34	15	33	1
35	17	34	1
36	21	35	1
37	21	36	1
38	22	37	1
39	22	38	1
40	22	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1