1046818 -OEChem-05241312053D 37 40 0 0 0 0 0 0 0999 V2000 -1.9486 -2.5804 -0.0713 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4119 1.4487 2.0149 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7036 1.8536 1.7602 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.0179 -0.1893 2.0521 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.5825 0.3371 -0.8604 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8859 0.7759 -0.1488 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2517 0.2490 -2.1600 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1519 2.7962 -0.4788 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9217 1.5850 0.1309 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4672 2.8154 -0.0728 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5747 0.7978 -0.0651 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4827 1.0239 -0.9046 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8124 1.5283 -0.5197 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8629 -0.0313 -0.4458 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0152 0.6715 -2.1796 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7162 0.9747 1.3956 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9864 -0.5995 -0.0459 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1489 -1.3360 -0.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8511 0.9467 -0.4266 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2183 -1.4186 -0.8732 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8565 -1.1677 0.8845 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4405 -1.6680 0.3472 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1429 0.6146 -0.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4376 -0.6927 0.3691 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3202 -2.8059 -0.7702 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9585 -2.5550 0.9876 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1903 -3.3741 0.1602 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5349 0.7059 -3.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6366 1.9700 -0.7248 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6152 -1.0589 -1.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4611 -0.5555 1.5491 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6870 -2.6819 0.6522 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9190 1.3741 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4432 -0.9510 0.6876 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7413 -3.4445 -1.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6352 -2.9978 1.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2736 -4.4542 0.2366 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 16 1 0 0 0 0 3 16 1 0 0 0 0 4 16 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 6 17 1 0 0 0 0 7 15 2 0 0 0 0 8 10 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 14 18 1 0 0 0 0 14 19 2 0 0 0 0 15 28 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 22 2 0 0 0 0 19 23 1 0 0 0 0 19 29 1 0 0 0 0 20 25 1 0 0 0 0 20 30 1 0 0 0 0 21 26 2 0 0 0 0 21 31 1 0 0 0 0 22 24 1 0 0 0 0 22 32 1 0 0 0 0 23 24 2 0 0 0 0 23 33 1 0 0 0 0 24 34 1 0 0 0 0 25 27 2 0 0 0 0 25 35 1 0 0 0 0 26 27 1 0 0 0 0 26 36 1 0 0 0 0 27 37 1 0 0 0 0 M END > 1046818 > 0.8 > 1 5 7 2 8 3 6 4 > 35 1 -0.18 11 -0.33 13 0.19 14 -0.02 15 0.14 16 1.2 17 -0.02 18 0.18 19 -0.15 2 -0.34 20 -0.15 21 -0.15 22 -0.15 23 -0.15 24 -0.15 25 -0.15 26 -0.15 27 -0.15 28 0.15 29 0.15 3 -0.34 30 0.15 31 0.15 32 0.15 33 0.15 34 0.15 35 0.15 36 0.15 37 0.15 4 -0.34 5 0.59 6 0.59 7 -0.71 8 -0.34 9 -0.42 > 4 > 6 1 7 acceptor 3 6 8 13 cation 5 5 7 11 12 15 rings 5 6 8 9 10 13 rings 6 14 18 19 22 23 24 rings 6 17 20 21 25 26 27 rings > 27 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 000FF92200000001 > 88.0828 > 30.448 > 10616163 171 18121220037076499879 10863032 1 18410856607222144005 10906281 52 16878801528890639036 11370993 70 18265051521013323511 11578080 2 13552624931692725846 11582403 64 15804034419220047188 12107183 9 18123192295086445433 12422481 6 18117249615168699072 12467345 10 18410856538555375985 12592029 89 18337111284326370508 12633257 1 18340211765171761951 12788726 201 17632027381151807297 13533116 47 18410856573163111991 13583140 156 18130220592433350797 14787075 74 17482553388071264804 14790565 3 17829616415423197220 15848702 151 18113896065933348445 16752209 62 16702031854676191729 17349148 13 17846503586917176365 17492 89 18410859845627965803 17974551 9 15477038234984756066 1813 80 16732984232474249015 19930381 70 18120370952154532203 20691752 17 17095794499470883235 20715895 44 18125721189205267337 21421861 104 18271825504962583051 21859007 373 17532354389258142893 23559900 14 18412261722636290912 25222932 49 17771912898625724487 3286 77 18187363173495283702 3421961 26 18336262362633954014 3797600 57 17845097444631286118 392239 28 17415526983713156570 394222 165 17987805244701485292 404807 14 17618789050995995875 4072396 5 17203327767786275893 4340502 62 18269839885530743845 484985 159 17109030128414934198 5104073 3 18336839641109822315 56638632 33 18340471310182889314 59755656 520 18051970622307666636 633830 44 16008753515671140653 6823239 73 18200891599155936662 7399639 24 18116419518049824948 79837 15 16686801733141339049 8272917 22 18412269458009846708 8509985 295 17989488507315380921 9709674 26 18260553363442164291 9981440 41 16308819314289918477 > 505.81 9.27 3.27 1.53 6.21 1.02 0.07 3.32 1.38 -3.79 0.12 0.12 -0.43 -0.21 > 1119.953 > 274 > 2 5 10 $$$$