6907374 -OEChem-03282409493D 35 37 0 0 0 0 0 0 0999 V2000 2.2864 1.8985 -0.3474 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2616 -1.4653 -1.8501 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.2109 1.4784 0.2303 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2870 -0.4204 0.5289 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3620 0.8770 0.6177 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6784 -1.7296 0.2612 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1135 2.8109 -0.1857 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 0.7951 0.2158 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1304 3.1941 -0.5255 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3045 3.7089 -0.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6387 -0.7835 0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0033 0.3127 -0.3532 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2784 -0.3948 -0.1403 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0962 -1.3051 -0.8137 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5073 -0.6178 1.4659 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4373 -1.6648 -0.9469 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8484 -0.9778 1.3324 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3134 -1.5013 0.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9179 -0.9784 -1.2156 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8117 -0.4634 1.1313 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1127 -1.6328 -0.9629 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0114 -1.1407 1.2791 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4159 4.1776 -0.8716 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0342 4.7218 -0.5559 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7733 3.7829 0.7473 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0444 3.3248 -0.9486 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6179 0.3370 -1.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1536 -0.2134 2.4106 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7992 -2.0720 -1.8864 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5304 -0.8509 2.1681 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3575 -1.7815 0.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5162 -0.9364 -2.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3373 -0.0173 1.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6641 -2.1120 -1.7653 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4826 -1.2304 2.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 14 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 8 2 0 0 0 0 4 11 1 0 0 0 0 5 12 2 0 0 0 0 6 21 2 0 0 0 0 6 22 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 14 1 0 0 0 0 11 15 2 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 13 19 2 0 0 0 0 13 20 1 0 0 0 0 14 16 2 0 0 0 0 15 17 1 0 0 0 0 15 28 1 0 0 0 0 16 18 1 0 0 0 0 16 29 1 0 0 0 0 17 18 2 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 19 21 1 0 0 0 0 19 32 1 0 0 0 0 20 22 2 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 M END > 6907374 > 0.6 > 1 7 4 6 8 3 2 5 > 32 1 -0.24 10 0.14 11 0.18 12 0.3 13 0.09 14 0.19 15 -0.15 16 -0.15 17 -0.15 18 -0.15 19 -0.15 2 -0.19 20 -0.15 21 0.16 22 0.16 23 0.15 27 0.06 28 0.15 29 0.15 3 -0.11 30 0.15 31 0.15 32 0.15 33 0.15 34 0.15 35 0.15 4 -0.63 5 -0.49 6 -0.62 7 -0.04 8 0.64 9 -0.05 > 3 > 6 1 5 acceptor 1 6 acceptor 3 3 4 8 cation 5 1 3 7 8 9 rings 6 11 14 15 16 17 18 rings 6 6 13 19 20 21 22 rings > 22 > 0 > 0 > 1 > 0 > 0 > 1 > 1 > 006965EE00000001 > 70.3224 > 30.446 > 10042902 136 17846221089437757830 11265709 11 18409448080971026153 12107183 9 18341063921976665057 12363563 72 18335143085244857059 12553582 1 18335704918628380155 12623949 98 17561092367296144310 12633257 1 18340208587197117791 12841375 25 18409449185025411049 12892183 10 16558752291084222315 13009979 54 18130239215406330633 13083527 12 18409440406429204372 13464513 79 18342457045673614770 13533116 47 18195250151628944779 13544653 18 18408600366101226625 13899415 180 18335411387826039365 14251740 57 18059581329260611062 14341114 328 15195562433207485474 14767858 380 18187664521987195924 14848160 33 18335136535641250655 14863182 85 18266178520959737068 15099037 37 18268703923021935392 17539 30 18263636265171400093 17818456 19 17845394180059732465 1813 80 18341620308286192599 18222031 100 18411976966420812146 193927 3 18410299111792909595 20028762 73 18200872980367706831 20388580 30 18333733541424139116 20645477 70 18263639735720447341 20693207 138 17531810289705004435 21756936 100 14044588198844166906 23402539 116 18337105670640603970 23557571 272 18126281939998367516 23559900 14 17168421679391991359 2838139 119 12251903702557657894 3004659 81 18113336414050736182 312423 11 18337402620817193513 314173 85 18413107238788796585 329604 57 18187368727125387236 3421961 26 18339079405692310457 3737641 26 17915469302560695246 5281201 14 17749665303086982973 7064713 232 17131836482028831735 7970288 3 18409165493624939242 8863177 126 17751092512235426939 9709674 26 18044657748822158675 9841814 1 18187637046332674280 > 429.4 11.95 3.33 1.29 6.12 4.22 0.02 -12.12 -1.04 -0.08 0.65 -0.15 -0.65 0.01 > 920.434 > 240.6 > 2 5 10 $$$$