@MOLECULE (1e)-2-diazonio-3,3,3-trifluoro-1-{[(2e,6e)-8-{[hydroxy(phosphonooxy)phosphoryl]oxy}-2,6-dimethyl-2,6-octadien-1-yl]oxy}-1-propen-1-olate 48 47 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -1.7382 2.1489 -1.4799 P.3 1 UNL1 0.3606 2 P -0.2932 2.5299 1.2395 P.3 1 UNL1 0.3698 3 F 4.1340 0.6088 1.3915 F 1 UNL1 -0.2153 4 F 2.0679 0.1703 1.1657 F 1 UNL1 -0.1240 5 F 3.4404 -1.3654 1.6786 F 1 UNL1 -0.1929 6 O -2.3812 0.7080 -1.4366 O.3 1 UNL1 -0.1589 7 O 1.6781 -1.9902 -0.2831 O.3 1 UNL1 -0.3501 8 O -0.7761 2.3359 -0.2467 O.3 1 UNL1 -0.3158 9 O -2.9881 3.1058 -1.2419 O.3 1 UNL1 -0.3785 10 O -0.9052 2.3367 -2.6535 O.2 1 UNL1 -0.1990 11 O 2.7740 -2.0514 -2.2654 O.2 1 UNL1 -0.5242 12 O 1.0632 3.3035 0.9341 O.3 1 UNL1 -0.2734 13 O -1.1771 3.7395 1.7906 O.3 1 UNL1 -0.3491 14 O -0.1974 1.3324 2.0487 O.2 1 UNL1 -0.2631 15 N 4.4352 -0.0174 -1.2575 N.3 1 UNL1 0.3979 16 N 5.2426 0.4645 -1.8806 N.3 1 UNL1 -0.0437 17 C -3.9316 -3.4592 0.0641 C.3 1 UNL1 -0.2864 18 C -2.6475 -4.0562 0.6791 C.3 1 UNL1 -0.2500 19 C -3.9747 -1.9745 0.2782 C.2 1 UNL1 0.0309 20 C -1.4626 -3.7871 -0.1889 C.2 1 UNL1 -0.2382 21 C -0.3821 -3.0751 0.1626 C.2 1 UNL1 0.0314 22 C -3.4358 -1.1378 -0.6170 C.2 1 UNL1 -0.2370 23 C -4.6168 -1.5079 1.5425 C.3 1 UNL1 -0.4618 24 C -3.3971 0.3479 -0.4483 C.3 1 UNL1 -0.0295 25 C 0.7105 -2.8982 -0.8540 C.3 1 UNL1 -0.0461 26 C -0.1679 -2.4071 1.4681 C.3 1 UNL1 -0.4494 27 C 2.6411 -1.6097 -1.1483 C.2 1 UNL1 0.6497 28 C 3.5106 -0.5969 -0.5432 C.3 1 UNL1 -0.4782 29 C 3.2811 -0.2937 0.8979 C.3 1 UNL1 0.5949 30 H -4.8219 -3.9435 0.5080 H 1 UNL1 0.1395 31 H -3.9793 -3.7043 -1.0157 H 1 UNL1 0.1485 32 H -2.5107 -3.6590 1.7051 H 1 UNL1 0.1464 33 H -2.7725 -5.1521 0.8034 H 1 UNL1 0.1407 34 H -1.5451 -4.2285 -1.1818 H 1 UNL1 0.1451 35 H -2.9584 -1.5042 -1.5291 H 1 UNL1 0.1717 36 H -3.8492 -1.2825 2.3011 H 1 UNL1 0.1641 37 H -5.2095 -0.5954 1.3947 H 1 UNL1 0.1518 38 H -5.2932 -2.2569 1.9763 H 1 UNL1 0.1496 39 H -3.1345 0.6297 0.5919 H 1 UNL1 0.1482 40 H -4.3679 0.8155 -0.7214 H 1 UNL1 0.1366 41 H 1.2314 -3.8468 -1.0860 H 1 UNL1 0.1486 42 H 0.3277 -2.4473 -1.7936 H 1 UNL1 0.1604 43 H -0.8795 -2.7150 2.2416 H 1 UNL1 0.1431 44 H 0.8418 -2.5860 1.8669 H 1 UNL1 0.1681 45 H -0.2707 -1.3077 1.3586 H 1 UNL1 0.1998 46 H -2.6591 4.0258 -0.9379 H 1 UNL1 0.3276 47 H 1.2684 3.1754 -0.0794 H 1 UNL1 0.3301 48 H -1.7254 3.3943 2.5839 H 1 UNL1 0.3095 @BOND 1 10 1 2 2 11 27 2 3 16 15 1 4 42 25 1 5 35 22 1 6 1 6 1 7 1 9 1 8 1 8 1 9 6 24 1 10 15 28 1 11 9 46 1 12 34 20 1 13 27 28 1 14 27 7 1 15 41 25 1 16 31 17 1 17 25 7 1 18 25 21 1 19 40 24 1 20 22 24 1 21 22 19 2 22 28 29 1 23 24 39 1 24 8 2 1 25 20 21 2 26 20 18 1 27 47 12 1 28 17 19 1 29 17 30 1 30 17 18 1 31 21 26 1 32 19 23 1 33 18 33 1 34 18 32 1 35 29 4 1 36 29 3 1 37 29 5 1 38 12 2 1 39 2 13 1 40 2 14 2 41 45 26 1 42 37 23 1 43 26 44 1 44 26 43 1 45 23 38 1 46 23 36 1 47 13 48 1