@<TRIPOS>MOLECULE
125339
39 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	F1     3.0854    -6.3572     0.0908	F	1	noname	-0.1596
2	C1     2.8253    -5.0850     0.0097	C.2	1	noname	0.0223
3	C2     3.8403    -4.1862    -0.2970	C.2	1	noname	0.0465
4	C3     1.5323    -4.6246     0.2296	C.2	1	noname	-0.0014
5	O1     5.0960    -4.6334    -0.5106	O.3	1	noname	-0.2624
6	C4     3.5623    -2.8271    -0.3837	C.2	1	noname	-0.0116
7	C5     1.2543    -3.2655     0.1429	C.2	1	noname	-0.0517
8	C6     5.8075    -4.6515     0.7182	C.3	1	noname	0.0424
9	C7     2.2693    -2.3667    -0.1637	C.2	1	noname	-0.0240
10	N1     1.9846    -0.9746    -0.2525	N.3	1	noname	0.0084
11	C8     0.9213    -0.1222    -0.1220	C.2	1	noname	0.0623
12	N2     1.4147     1.1386    -0.3586	N.2	1	noname	-0.2490
13	C9    -0.4911    -0.3017     0.1908	C.2	1	noname	0.0096
14	C10     0.6733     2.2865    -0.3265	C.2	1	noname	0.0085
15	C11    -1.1455    -1.5611     0.4608	C.2	1	noname	0.0827
16	C12    -1.2581     0.9083     0.2217	C.2	1	noname	-0.0056
17	C13    -0.7054     2.1940    -0.0299	C.2	1	noname	-0.0425
18	N3    -2.4879    -1.6827     0.7529	N.2	1	noname	-0.2174
19	N4    -0.4079    -2.7100     0.4296	N.2	1	noname	-0.2388
20	C14    -3.0379    -2.9114     0.9979	C.2	1	noname	0.0964
21	C15    -0.9340    -3.9452     0.6703	C.2	1	noname	0.0686
22	N5    -2.2596    -4.0352     0.9555	N.2	1	noname	-0.2276
23	N6    -4.3437    -3.0140     1.2804	N.3	1	noname	-0.0771
24	C16    -0.0950    -5.1392     0.6228	C.3	1	noname	0.0696
25	H1     0.7363    -5.3295     0.4701	H	1	noname	0.0654
26	H2     4.3583    -2.1223    -0.6241	H	1	noname	0.0668
27	H3     0.2404    -2.9045     0.3154	H	1	noname	0.0640
28	H4     5.9829    -5.6838     1.0212	H	1	noname	0.0535
29	H5     6.7630    -4.1424     0.5924	H	1	noname	0.0535
30	H6     5.2226    -4.1424     1.4842	H	1	noname	0.0535
31	H7     2.7933    -0.4139    -0.4803	H	1	noname	0.1357
32	H8     1.1627     3.2391    -0.5295	H	1	noname	0.0839
33	H9    -2.3223     0.8471     0.4495	H	1	noname	0.0631
34	H10    -1.3254     3.0899     0.0038	H	1	noname	0.0639
35	H11    -4.9044    -2.1807     1.3869	H	1	noname	0.1273
36	H12    -4.7674    -3.9247     1.3869	H	1	noname	0.1273
37	H13     0.1330    -5.4637     1.6380	H	1	noname	0.0312
38	H14    -0.6241    -5.9343     0.0974	H	1	noname	0.0312
39	H15     0.8323    -4.9109     0.0974	H	1	noname	0.0312
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	2
7	5	8	1
8	6	9	2
9	7	9	1
10	9	10	1
11	10	11	1
12	11	12	2
13	11	13	1
14	12	14	1
15	13	15	1
16	13	16	2
17	14	17	2
18	15	18	2
19	15	19	1
20	16	17	1
21	18	20	1
22	19	21	2
23	20	22	2
24	20	23	1
25	21	24	1
26	21	22	1
27	4	25	1
28	6	26	1
29	7	27	1
30	8	28	1
31	8	29	1
32	8	30	1
33	10	31	1
34	14	32	1
35	16	33	1
36	17	34	1
37	23	35	1
38	23	36	1
39	24	37	1
40	24	38	1
41	24	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1