@MOLECULE {[2-(1h-benzotriazol-1-yl)-2-(3,4-difluorophenyl)-1,3-propanediyl]bis[4,1-phenylene(difluoromethylene)]}bis(phosphonic acid) 69 73 0 0 0 SMALL GASTEIGER @ATOM 1 C -0.3717 -0.3879 1.0760 C.3 1 UNL1111111111 -0.3191 2 C -1.7765 -0.7013 0.6628 C.ar 1 UNL1111111111 0.0265 3 C -2.0397 -1.2974 -0.5705 C.ar 1 UNL1111111111 -0.1678 4 C -2.8345 -0.3938 1.5229 C.ar 1 UNL1111111111 -0.1801 5 C -3.3522 -1.5412 -0.9657 C.ar 1 UNL1111111111 -0.1080 6 C -4.1475 -0.6422 1.1359 C.ar 1 UNL1111111111 -0.1116 7 C -4.4072 -1.2008 -0.1174 C.ar 1 UNL1111111111 -0.0970 8 C -5.8322 -1.4565 -0.5420 C.3 1 UNL1111111111 0.3973 9 F -6.0032 -1.3592 -1.8670 F 1 UNL1111111111 -0.1684 10 F -6.6891 -0.5547 -0.0475 F 1 UNL1111111111 -0.1668 11 P -6.6660 -3.0871 -0.1652 P.3 1 UNL1111111111 0.2936 12 O -6.9827 -2.7544 1.3683 O.3 1 UNL1111111111 -0.4370 13 O -5.5301 -4.2071 -0.1060 O.3 1 UNL1111111111 -0.3688 14 O -7.7553 -3.5240 -1.0218 O.2 1 UNL1111111111 -0.2309 15 C 0.1113 1.0057 0.5865 C.3 1 UNL1111111111 0.2739 16 C 1.3720 1.4412 1.4046 C.3 1 UNL1111111111 -0.3403 17 C 2.5798 0.6266 1.0592 C.ar 1 UNL1111111111 0.0282 18 C 3.5027 1.1083 0.1281 C.ar 1 UNL1111111111 -0.1855 19 C 2.7822 -0.6220 1.6493 C.ar 1 UNL1111111111 -0.1818 20 C 4.5882 0.3260 -0.2548 C.ar 1 UNL1111111111 -0.0987 21 C 3.8667 -1.4082 1.2698 C.ar 1 UNL1111111111 -0.0986 22 C 4.7613 -0.9414 0.3053 C.ar 1 UNL1111111111 -0.0900 23 C 5.9314 -1.7960 -0.1195 C.3 1 UNL1111111111 0.3991 24 F 5.6768 -3.1077 -0.0269 F 1 UNL1111111111 -0.1676 25 F 6.2548 -1.6266 -1.4067 F 1 UNL1111111111 -0.1606 26 P 7.5716 -1.6701 0.7714 P.3 1 UNL1111111111 0.2967 27 O 8.1243 -0.4241 -0.0665 O.3 1 UNL1111111111 -0.4319 28 O 7.2785 -1.0735 2.2236 O.3 1 UNL1111111111 -0.3750 29 O 8.3957 -2.8621 0.8757 O.2 1 UNL1111111111 -0.2333 30 C -1.0208 2.0135 0.7570 C.ar 1 UNL1111111111 -0.0581 31 C -1.1670 2.7035 1.9623 C.ar 1 UNL1111111111 -0.1918 32 C -1.9512 2.2010 -0.2710 C.ar 1 UNL1111111111 -0.1248 33 C -3.1509 3.7808 1.0675 C.ar 1 UNL1111111111 0.1300 34 C -2.2339 3.5852 2.1047 C.ar 1 UNL1111111111 0.1191 35 C -3.0177 3.0857 -0.1303 C.ar 1 UNL1111111111 -0.1663 36 F -2.3901 4.2469 3.2374 F 1 UNL1111111111 -0.1391 37 F -4.1488 4.6277 1.2390 F 1 UNL1111111111 -0.1329 38 N 0.5002 0.9687 -0.8369 N.ar 1 UNL1111111111 -0.2794 39 N 0.7653 -0.1932 -1.5244 N.ar 1 UNL1111111111 0.0046 40 N 1.2703 0.0625 -2.6692 N.ar 1 UNL1111111111 -0.1829 41 C 1.4235 1.4546 -2.8194 C.ar 1 UNL1111111111 -0.0236 42 C 0.9288 2.0521 -1.6132 C.ar 1 UNL1111111111 0.0604 43 C 1.9316 2.2435 -3.8564 C.ar 1 UNL1111111111 -0.0766 44 C 0.9304 3.4412 -1.4371 C.ar 1 UNL1111111111 -0.1970 45 C 1.9356 3.6110 -3.6627 C.ar 1 UNL1111111111 -0.1850 46 C 1.4402 4.1982 -2.4737 C.ar 1 UNL1111111111 -0.0960 47 H -0.2803 -0.4260 2.1816 H 1 UNL1111111111 0.1630 48 H 0.3263 -1.1741 0.7020 H 1 UNL1111111111 0.1920 49 H -1.2155 -1.5703 -1.2347 H 1 UNL1111111111 0.1815 50 H -2.6357 0.0546 2.4942 H 1 UNL1111111111 0.1531 51 H -3.5334 -1.9994 -1.9408 H 1 UNL1111111111 0.1726 52 H -4.9600 -0.3936 1.8215 H 1 UNL1111111111 0.1686 53 H -7.7140 -3.3693 1.7186 H 1 UNL1111111111 0.3378 54 H -4.8338 -3.9832 0.6059 H 1 UNL1111111111 0.3118 55 H 1.5665 2.5198 1.2210 H 1 UNL1111111111 0.1692 56 H 1.1548 1.3629 2.4897 H 1 UNL1111111111 0.1691 57 H 3.3652 2.0919 -0.3198 H 1 UNL1111111111 0.1588 58 H 2.0903 -0.9908 2.4034 H 1 UNL1111111111 0.1534 59 H 5.2879 0.7155 -0.9988 H 1 UNL1111111111 0.1737 60 H 3.9997 -2.3866 1.7367 H 1 UNL1111111111 0.1693 61 H 9.1374 -0.3676 0.0152 H 1 UNL1111111111 0.3373 62 H 6.8343 -0.1572 2.1569 H 1 UNL1111111111 0.3125 63 H -0.4730 2.5601 2.7903 H 1 UNL1111111111 0.1780 64 H -1.8580 1.6345 -1.2030 H 1 UNL1111111111 0.1818 65 H -3.7360 3.2194 -0.9418 H 1 UNL1111111111 0.1881 66 H 2.3039 1.7789 -4.7686 H 1 UNL1111111111 0.1763 67 H 0.5380 3.8945 -0.5314 H 1 UNL1111111111 0.1716 68 H 2.3247 4.2672 -4.4414 H 1 UNL1111111111 0.1631 69 H 1.4634 5.2861 -2.3845 H 1 UNL1111111111 0.1602 @BOND 1 1 2 1 2 1 15 1 3 1 47 1 4 1 48 1 5 2 3 ar 6 2 4 ar 7 3 5 ar 8 3 49 1 9 4 6 ar 10 4 50 1 11 5 7 ar 12 5 51 1 13 6 7 ar 14 6 52 1 15 7 8 1 16 8 9 1 17 8 10 1 18 8 11 1 19 11 12 1 20 11 13 1 21 11 14 2 22 12 53 1 23 13 54 1 24 15 16 1 25 15 30 1 26 15 38 1 27 16 17 1 28 16 55 1 29 16 56 1 30 17 18 ar 31 17 19 ar 32 18 20 ar 33 18 57 1 34 19 21 ar 35 19 58 1 36 20 22 ar 37 20 59 1 38 21 22 ar 39 21 60 1 40 22 23 1 41 23 24 1 42 23 25 1 43 23 26 1 44 26 27 1 45 26 28 1 46 26 29 2 47 27 61 1 48 28 62 1 49 30 31 ar 50 30 32 ar 51 31 34 ar 52 31 63 1 53 32 35 ar 54 32 64 1 55 33 34 ar 56 33 35 ar 57 33 37 1 58 34 36 1 59 35 65 1 60 38 39 ar 61 38 42 ar 62 39 40 ar 63 40 41 ar 64 41 42 ar 65 41 43 ar 66 42 44 ar 67 43 45 ar 68 43 66 1 69 44 46 ar 70 44 67 1 71 45 46 ar 72 45 68 1 73 46 69 1