@<TRIPOS>MOLECULE
50389060
39 42 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	F1     0.0654    -2.0200    -1.1267	F	1	noname	-0.1502
2	C1    -0.4753    -0.9686    -0.5837	C.2	1	noname	0.0878
3	C2     0.2948     0.1731    -0.2220	C.2	1	noname	0.1074
4	C3    -1.8750    -0.8923    -0.3158	C.2	1	noname	0.0170
5	O1     1.6146     0.3927    -0.3494	O.3	1	noname	-0.3000
6	C4    -0.2908     1.3199     0.3611	C.2	1	noname	0.0614
7	C5    -2.4660     0.2709     0.2784	C.2	1	noname	-0.0236
8	C6     1.7986     1.6522     0.1287	C.2	1	noname	0.1094
9	N1     0.6700     2.2243     0.5789	N.2	1	noname	-0.1832
10	C7    -1.6812     1.4115     0.6295	C.2	1	noname	-0.0028
11	C8     3.0594     2.3673     0.0994	C.3	1	noname	0.0660
12	C9     3.4500     2.5368    -1.2965	C.2	1	noname	-0.0085
13	N2     4.5805     1.9128    -1.6596	N.2	1	noname	-0.2270
14	N3     2.7685     3.2719    -2.2376	N.3	1	noname	0.0398
15	C10     5.0634     2.0230    -2.9284	C.2	1	noname	-0.0240
16	C11     3.1894     3.3923    -3.5357	C.2	1	noname	0.0582
17	N4     6.2799     1.4823    -3.0926	N.3	1	noname	-0.1067
18	C12     4.3837     2.7570    -3.9414	C.2	1	noname	0.0684
19	O2     2.5215     4.0594    -4.3550	O.2	1	noname	-0.2904
20	C13     6.4544     0.1330    -3.5961	C.3	1	noname	0.0281
21	C14     7.3784     2.2204    -2.5126	C.3	1	noname	0.0281
22	C15     7.6123    -0.6534    -2.8549	C.3	1	noname	0.0599
23	C16     8.0059     1.3637    -1.3604	C.3	1	noname	0.0599
24	O3     8.0894    -0.0852    -1.5904	O.3	1	noname	-0.3786
25	H1    -2.5076    -1.7425    -0.5710	H	1	noname	0.0654
26	H2    -3.5392     0.2885     0.4681	H	1	noname	0.0624
27	H3    -2.1193     2.3033     1.0778	H	1	noname	0.0646
28	H4     2.8708     3.3616     0.5043	H	1	noname	0.0431
29	H5     3.8029     1.7210     0.5659	H	1	noname	0.0431
30	H6     1.9197     3.7452    -1.9626	H	1	noname	0.1386
31	H7     4.7546     2.8282    -4.9639	H	1	noname	0.0708
32	H8     5.5139    -0.3668    -3.3640	H	1	noname	0.0459
33	H9     6.7581     0.2681    -4.6341	H	1	noname	0.0459
34	H10     8.1173     2.3178    -3.3080	H	1	noname	0.0459
35	H11     6.9313     3.1115    -2.0719	H	1	noname	0.0459
36	H12     7.1995    -1.6190    -2.5627	H	1	noname	0.0580
37	H13     8.4877    -0.6084    -3.5028	H	1	noname	0.0580
38	H14     9.0466     1.6758    -1.2732	H	1	noname	0.0580
39	H15     7.3360     1.4553    -0.5054	H	1	noname	0.0580
@<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	1
9	6	10	2
10	7	10	1
11	8	11	1
12	8	9	2
13	11	12	1
14	12	13	2
15	12	14	1
16	13	15	1
17	14	16	1
18	15	17	1
19	15	18	2
20	16	19	2
21	16	18	1
22	17	20	1
23	17	21	1
24	20	22	1
25	21	23	1
26	22	24	1
27	23	24	1
28	4	25	1
29	7	26	1
30	10	27	1
31	11	28	1
32	11	29	1
33	14	30	1
34	18	31	1
35	20	32	1
36	20	33	1
37	21	34	1
38	21	35	1
39	22	36	1
40	22	37	1
41	23	38	1
42	23	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1