24884077 -OEChem-04232404313D 89 93 0 1 0 0 0 0 0999 V2000 -1.6678 -3.4941 0.4563 Si 0 0 0 0 0 0 0 0 0 0 0 0 4.4623 0.2425 -0.2319 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.3899 -0.6610 2.6682 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.2849 -0.5915 -2.9583 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5379 -1.8704 0.0388 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8939 -0.0751 0.2723 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4585 -0.5090 1.2820 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8418 -0.7503 -3.8608 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3520 3.1049 1.5711 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3032 1.5752 1.0642 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9801 1.5279 -0.4043 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7598 -0.1954 -1.6492 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1175 0.5011 -1.6009 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1229 1.0474 -1.5085 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4930 1.9925 -0.4773 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4935 0.4384 -1.7082 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0426 2.6090 -0.6823 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4478 -1.4305 -0.7509 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4705 1.0308 0.9808 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4383 -0.2572 -1.6198 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3394 1.8271 -0.3980 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9494 -0.6024 -0.6540 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7981 -1.2590 0.1218 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5985 0.7541 -1.4812 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9712 1.1571 0.9003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0937 -0.3651 -2.9761 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5486 1.4842 -2.0592 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2736 2.1776 0.7916 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8291 0.7728 1.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0316 -4.1881 0.8814 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3689 -4.5052 -0.9666 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7795 -3.7205 1.9565 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2795 3.3809 2.8254 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0522 -1.1275 -1.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6439 0.3222 1.2296 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5590 1.8704 -1.1693 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8766 -2.4646 2.9132 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4387 -0.1039 4.1925 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9680 0.3547 2.5429 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1651 1.0896 -2.5348 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 1.6499 -2.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 2.9955 -0.9331 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0101 3.0005 -1.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9317 3.4598 0.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2069 -2.2455 -1.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1435 1.6717 1.8019 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1678 0.0138 1.2129 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5179 -0.9819 -0.8083 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5447 -0.8213 -2.5532 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1949 2.5031 -0.3026 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4190 -1.4369 -1.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1841 -2.2168 0.4283 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7496 1.2569 -2.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5242 0.2085 -1.2616 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5096 2.2507 -1.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1384 2.0834 -2.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3230 0.9771 -2.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8977 0.9115 1.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4767 0.3107 2.7667 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7896 -4.0652 0.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0888 -5.2746 0.9817 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3239 -3.8554 1.8562 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3623 -4.1392 -1.2422 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7208 -4.4343 -1.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4549 -5.5589 -0.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3811 -3.1698 2.8138 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8518 -4.7776 2.2282 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7863 -3.3477 1.7465 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4179 3.1208 3.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4655 4.4577 2.8756 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2290 2.8638 2.9811 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4833 -1.1433 -2.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1067 -0.9798 -1.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9505 -2.1031 -0.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4166 1.1387 1.9195 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6978 -0.6283 1.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6537 0.5141 0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1144 2.7538 -0.6906 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6029 2.1086 -0.8824 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7598 1.9593 -2.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2639 -2.9602 2.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7019 -2.4821 3.6361 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 -3.0185 3.3964 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0993 0.9267 4.0939 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4418 -0.7366 4.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0653 -0.1774 5.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1076 1.3074 2.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1035 0.6898 3.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7740 -0.3675 2.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 6 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 7 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 4 12 1 0 0 0 0 4 26 1 0 0 0 0 5 18 1 0 0 0 0 6 22 1 0 0 0 0 7 23 1 0 0 0 0 8 26 2 0 0 0 0 9 28 1 0 0 0 0 9 33 1 0 0 0 0 10 28 2 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 11 17 1 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 13 20 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 41 1 0 0 0 0 15 28 1 0 0 0 0 15 42 1 0 0 0 0 16 22 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 17 21 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 23 1 0 0 0 0 18 45 1 0 0 0 0 19 25 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 24 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 24 1 0 0 0 0 21 25 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 23 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 29 2 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 32 68 1 0 0 0 0 33 69 1 0 0 0 0 33 70 1 0 0 0 0 33 71 1 0 0 0 0 34 72 1 0 0 0 0 34 73 1 0 0 0 0 34 74 1 0 0 0 0 35 75 1 0 0 0 0 35 76 1 0 0 0 0 35 77 1 0 0 0 0 36 78 1 0 0 0 0 36 79 1 0 0 0 0 36 80 1 0 0 0 0 37 81 1 0 0 0 0 37 82 1 0 0 0 0 37 83 1 0 0 0 0 38 84 1 0 0 0 0 38 85 1 0 0 0 0 38 86 1 0 0 0 0 39 87 1 0 0 0 0 39 88 1 0 0 0 0 39 89 1 0 0 0 0 M END > 24884077 > 1 > 1 > 34 1 0.54 10 -0.57 12 0.28 15 0.06 16 0.06 18 0.28 19 0.14 2 0.54 21 0.14 22 0.28 23 0.28 25 -0.28 26 0.66 28 0.66 29 -0.3 3 0.54 30 -0.08 31 -0.08 32 -0.08 33 0.28 34 -0.08 35 -0.08 36 -0.08 37 -0.08 38 -0.08 39 -0.08 4 -0.43 5 -0.58 58 0.15 59 0.15 6 -0.58 7 -0.58 8 -0.57 9 -0.43 > 9.8 > 5 1 10 acceptor 1 8 acceptor 5 11 12 13 14 15 rings 8 11 13 17 19 20 21 24 25 rings 8 4 12 14 16 18 22 23 26 rings > 39 > 6 > 4 > 0 > 0 > 0 > 1 > 1 > 017BB36D00000001 > 304.3156 > 25.56 > 10863032 1 18337112379643271156 11115154 58 17540529545631502923 11578080 2 17841473394007873822 12156800 1 18119560800984080411 12422481 6 17313932031759449842 12788726 201 17916309338229111336 14068700 675 17903615716588231615 14787075 74 18343016670916134909 20600515 1 18340219547520861213 20691752 17 18200582623345191513 21033648 29 18264759987450773884 23419403 2 17840314650470326705 23559900 14 17610627406415713805 35225 105 18196342958238024955 469060 322 16009585922760889318 563151 248 18041011656146865482 57527452 28 17967530129968053122 57527585 103 17341858523293493398 > 816.16 8.02 4.27 3.67 2.99 4.81 -1.15 -2.35 0.34 -3.51 -0.64 1.31 -0.18 -1.27 > 1701.729 > 471.4 > 2 5 10 $$$$