5362129 -OEChem-05112417213D 62 64 0 1 0 0 0 0 0999 V2000 1.9038 2.8172 0.4708 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0789 -2.6276 -0.9358 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7662 -1.2947 0.8867 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1679 2.2009 -0.2198 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6811 2.9105 1.3925 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8078 0.8583 -0.3638 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5737 2.0246 -0.0390 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0388 -0.0049 -0.4423 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1604 1.1235 0.1176 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1864 -0.7043 -1.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4242 -0.8621 0.7611 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2879 1.0443 1.6436 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7422 -0.3822 -1.1277 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4931 0.1480 1.8943 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7873 1.7824 -0.1893 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1439 -1.4517 -0.2648 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4794 1.4639 -0.8683 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4575 2.0666 -2.2586 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8887 1.7584 -0.6094 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1474 0.2509 -0.7622 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9240 2.3617 0.3254 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1302 -0.5534 0.5453 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4485 -2.0160 0.3634 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7664 -2.4410 0.4412 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4185 -2.9123 0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2525 2.7308 0.5491 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0610 -3.7940 0.2727 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7132 -4.2652 -0.0476 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5503 2.4732 -0.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0345 -4.7060 0.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9522 0.4058 -0.8901 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4769 2.1048 -0.2545 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4041 -0.2477 -2.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4111 -1.7720 -1.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6672 -1.6231 0.9793 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3784 -1.3755 0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4282 2.0343 2.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3936 0.6044 2.1003 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1212 -0.2655 -2.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4188 0.7318 1.8266 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4594 -0.3266 2.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3760 0.3824 -0.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4459 3.0338 0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3876 1.8519 -2.7974 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3584 1.6711 -2.8717 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3679 3.1594 -2.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 -3.3505 -0.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0160 2.2745 -1.5679 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4770 -0.2061 -1.4991 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1423 0.1228 -1.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1493 -0.4643 1.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8443 -0.1304 1.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5730 -1.7378 0.6284 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3929 -2.5773 0.0595 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1114 3.8089 0.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2786 2.2405 1.5286 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0898 -4.1372 0.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9137 -4.9752 -0.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4028 2.8656 0.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5322 2.9418 -1.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6958 1.3996 -0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2638 -5.7593 -0.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 16 1 0 0 0 0 2 47 1 0 0 0 0 3 16 2 0 0 0 0 4 21 1 0 0 0 0 4 26 1 0 0 0 0 5 21 2 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 6 15 1 0 0 0 0 7 17 1 0 0 0 0 7 19 1 0 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 31 1 0 0 0 0 9 12 1 0 0 0 0 9 32 1 0 0 0 0 10 13 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 14 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 14 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 16 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 48 1 0 0 0 0 20 22 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 27 1 0 0 0 0 24 53 1 0 0 0 0 25 28 2 0 0 0 0 25 54 1 0 0 0 0 26 29 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 30 2 0 0 0 0 27 57 1 0 0 0 0 28 30 1 0 0 0 0 28 58 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 30 62 1 0 0 0 0 M END > 5362129 > 1.2 > 1 20 2 21 12 10 31 15 11 9 23 19 28 22 5 25 17 27 24 4 33 32 7 16 18 3 13 26 6 14 29 8 30 > 29 1 -0.57 13 0.36 15 0.57 16 0.66 17 0.33 19 0.33 2 -0.65 21 0.66 22 0.14 23 -0.14 24 -0.15 25 -0.15 26 0.28 27 -0.15 28 -0.15 3 -0.57 30 -0.15 4 -0.43 43 0.36 47 0.5 5 -0.57 53 0.15 54 0.15 57 0.15 58 0.15 6 -0.66 62 0.15 7 -0.9 9 0.3 > 12.2 > 10 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 5 acceptor 1 7 cation 1 7 donor 3 2 3 16 anion 5 6 8 9 10 13 rings 5 8 9 11 12 14 rings 6 23 24 25 27 28 30 rings > 30 > 5 > 0 > 0 > 0 > 0 > 1 > 1 > 0051D1D100000001 > 66.0748 > 51.164 > 10940486 97 18261126187319970524 11513181 2 18129943373959694175 12107183 9 18118674432063037562 12788726 201 18047202013768862691 13004483 165 18052256486297640327 13140716 1 17977105987235704954 1361 2 18193561069587076729 13692114 37 18271233954990970175 13726171 33 18192452929275791804 138480 1 16752408986574859751 14081887 123 18412543240842561274 14178342 30 18409448089856067516 14790565 3 18122351177255055973 14866123 147 18410013265172663283 19141452 34 18334576823903740789 19301679 30 18047759483998688219 19930381 70 17472425353034896943 21033648 29 18266172825511966117 23558518 356 18116719710367059605 23559900 14 18342182142039331580 244849 19 17632024083207604950 3052486 1 18187367653526091798 3383291 50 18412262840156262115 338550 245 18188503461954186941 4073 2 18342173371842278224 4340502 62 18270677558888766304 508706 21 18412828005542778750 5104073 3 18339632430456495568 5385378 56 17833839270608933785 563151 97 17246416756274306197 57527293 21 17967801770324704544 6443956 14 17760370285654894031 653340 110 18340204184459643074 9777508 108 18412262830743180067 > 578.08 12.29 5.44 1.36 1.72 4.72 0.1 -3.03 -3.28 -10.29 -0.23 1.58 -0.54 0.19 > 1208.472 > 327.9 > 2 5 10 $$$$