1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55
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@<TRIPOS>MOLECULE
1FK9
21 23 1 0 0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
1 CL -2.5520 -35.3570 21.8750 Cl 1 **** 0.0000
2 F1 3.1030 -39.5330 20.6530 F 1 **** 0.0000
3 F2 1.2910 -39.2200 21.7330 F 1 **** 0.0000
4 F3 1.2330 -39.5340 19.6260 F 1 **** 0.0000
5 O1 3.4730 -37.3540 17.0970 O.2 1 **** 0.0000
6 O2 2.9980 -37.1980 19.2620 O.3 1 **** 0.0000
7 N 1.2850 -37.0810 17.6750 N.am 1 **** 0.0000
8 C1 0.3440 -36.6360 18.6620 C.ar 1 **** 0.0000
9 C2 -0.9260 -36.1430 18.3080 C.ar 1 **** 0.0000
10 C3 -1.8100 -35.7430 19.3240 C.ar 1 **** 0.0000
11 C4 -1.4490 -35.8480 20.6560 C.ar 1 **** 0.0000
12 C5 -0.2120 -36.3390 21.0180 C.ar 1 **** 0.0000
13 C6 0.6660 -36.7760 20.0190 C.ar 1 **** 0.0000
14 C7 2.0460 -37.3860 20.3660 C.3 1 **** 0.0000
15 C8 2.6380 -36.8100 21.5930 C.1 1 **** 0.0000
16 C9 3.0920 -36.3400 22.5620 C.1 1 **** 0.0000
17 C10 3.7560 -35.6460 23.9670 C.3 1 **** 0.0000
18 C11 4.1860 -34.5430 23.6190 C.3 1 **** 0.0000
19 C12 3.0560 -34.6560 24.2110 C.3 1 **** 0.0000
20 C13 1.9130 -38.9380 20.5960 C.3 1 **** 0.0000
21 C14 2.6380 -37.2190 17.9350 C.2 1 **** 0.0000
@<TRIPOS>BOND
1 8 7 1
2 9 8 ar
3 10 9 ar
4 11 1 1
5 11 10 ar
6 12 11 ar
7 13 8 ar
8 13 12 ar
9 14 6 1
10 14 13 1
11 15 14 1
12 16 15 3
13 17 16 1
14 18 17 1
15 19 17 1
16 19 18 1
17 20 2 1
18 20 3 1
19 20 4 1
20 20 14 1
21 21 5 2
22 21 6 1
23 21 7 1
@<TRIPOS>SUBSTRUCTURE
1 **** 1
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