@<TRIPOS>MOLECULE
69239765
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	F1    -3.7286    -0.9586     1.8367	F	1	noname	-0.1637
2	O1    -0.4955     2.8898     1.9447	O.2	1	noname	-0.2892
3	O2     3.3292     3.4989     0.9281	O.3	1	noname	-0.2151
4	O3     1.2667     4.3914     0.7801	O.2	1	noname	-0.2535
5	N1     1.5278    -0.2489     0.3802	N.3	1	noname	0.0442
6	N2    -2.3049    -3.0926     0.9025	N.3	1	noname	-0.1246
7	N3    -2.7326    -5.9734     3.1467	N.3	1	noname	-0.3291
8	C1     2.2750    -1.3422    -0.1039	C.3	1	noname	-0.0155
9	C2     3.0871    -1.9516     1.0407	C.3	1	noname	-0.0458
10	C3     3.7685    -1.0351     0.0225	C.3	1	noname	-0.0458
11	C4     0.2597    -0.4784     0.8637	C.2	1	noname	-0.0058
12	C5     2.0953     1.0020     0.3500	C.2	1	noname	-0.0020
13	C6    -0.5027     0.6414     1.3932	C.2	1	noname	-0.0311
14	C7     1.4056     2.1103     0.8775	C.2	1	noname	0.1011
15	C8    -0.3302    -1.7689     0.7217	C.2	1	noname	-0.0357
16	C9     0.1082     1.9245     1.4287	C.2	1	noname	0.0954
17	C10    -1.7062    -1.9038     1.0574	C.2	1	noname	0.0360
18	C11    -1.8733     0.4846     1.7585	C.2	1	noname	0.0316
19	C12    -2.4684    -0.7928     1.5591	C.2	1	noname	0.0114
20	C13     1.9869     3.3728     0.8596	C.2	1	noname	0.1173
21	C14    -2.1793    -3.8405     2.0911	C.3	1	noname	0.0124
22	C15    -2.8629    -5.1978     1.9143	C.3	1	noname	0.0053
23	H1     1.7715    -2.2791    -0.3422	H	1	noname	0.0352
24	H2     3.9002    -0.0441     0.4568	H	1	noname	0.0273
25	H3     4.5785    -1.6227    -0.4099	H	1	noname	0.0273
26	H4     2.8952    -1.3959     1.9585	H	1	noname	0.0273
27	H5     3.3114    -3.0165     0.9777	H	1	noname	0.0273
28	H6     3.0219     1.1285    -0.0570	H	1	noname	0.0635
29	H7     0.2143    -2.5658     0.3917	H	1	noname	0.0646
30	H8    -2.4077     1.2608     2.1488	H	1	noname	0.0661
31	H9    -1.8851    -3.5733     0.1720	H	1	noname	0.1282
32	H10    -2.6510    -3.3003     2.9119	H	1	noname	0.0445
33	H11    -1.1233    -3.9920     2.3152	H	1	noname	0.0445
34	H12    -3.9188    -5.0464     1.6902	H	1	noname	0.0438
35	H13    -2.3912    -5.7381     1.0935	H	1	noname	0.0438
36	H14     3.7726     4.2592     0.4972	H	1	noname	0.2216
37	H15    -3.1893    -6.8800     3.0286	H	1	noname	0.1184
38	H16    -3.1749    -5.4669     3.9164	H	1	noname	0.1184
@<TRIPOS>BOND
1	1	19	1
2	2	16	2
3	3	20	1
4	3	36	1
5	4	20	2
6	5	8	1
7	5	11	1
8	5	12	1
9	6	17	1
10	6	21	1
11	6	31	1
12	7	22	1
13	7	37	1
14	7	38	1
15	8	9	1
16	8	10	1
17	8	23	1
18	9	10	1
19	9	26	1
20	9	27	1
21	10	24	1
22	10	25	1
23	11	13	1
24	11	15	2
25	12	14	2
26	12	28	1
27	13	16	1
28	13	18	2
29	14	16	1
30	14	20	1
31	15	17	1
32	15	29	1
33	17	19	2
34	18	19	1
35	18	30	1
36	21	22	1
37	21	32	1
38	21	33	1
39	22	34	1
40	22	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1