6976932 -OEChem-03292406393D 29 30 0 1 0 0 0 0 0999 V2000 1.3145 0.7251 0.5696 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2594 -1.4831 0.2175 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9534 -2.5798 -0.7642 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3463 2.6793 0.5951 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7169 -1.9674 1.1898 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8451 -0.0913 0.1927 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0519 1.1049 -0.4355 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2099 -0.4612 0.4054 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6726 1.1791 -0.4476 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5601 -0.7533 -0.7856 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1068 -1.1775 -0.8339 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4106 0.7039 -0.3691 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5283 -0.4642 0.3791 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6348 1.3278 0.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9206 -0.8916 0.6228 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2662 1.4821 -0.6242 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4309 0.6671 -0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0870 -0.8873 -1.7339 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6444 -0.8233 -1.7632 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0866 1.3134 -1.2225 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6098 -1.0753 1.2854 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4918 1.3005 -0.4044 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8962 0.8247 1.2114 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8459 -1.3125 1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4094 -2.8940 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1467 3.0550 0.9999 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4970 2.4356 -1.1245 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8017 2.0702 -0.9151 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5109 0.6764 -0.1765 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 10 1 0 0 0 0 2 24 1 0 0 0 0 3 11 1 0 0 0 0 3 25 1 0 0 0 0 4 14 1 0 0 0 0 4 26 1 0 0 0 0 5 15 2 0 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 6 15 1 0 0 0 0 7 16 2 0 0 0 0 8 15 1 0 0 0 0 8 17 2 0 0 0 0 9 17 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 11 13 1 0 0 0 0 11 19 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 M END > 6976932 > 0.6 > 2 10 3 7 4 12 13 1 8 11 9 6 5 > 23 1 -0.56 10 0.28 11 0.28 12 0.28 13 0.58 14 0.28 15 0.84 16 0.39 17 0.5 2 -0.68 24 0.4 25 0.4 26 0.4 27 0.06 28 0.4 29 0.4 3 -0.68 4 -0.68 5 -0.57 6 -0.3 7 -0.51 8 -0.66 9 -0.85 > 3 > 13 1 1 acceptor 1 2 acceptor 1 2 donor 1 3 acceptor 1 3 donor 1 4 acceptor 1 4 donor 1 5 acceptor 1 7 acceptor 1 8 donor 1 9 donor 5 1 10 11 12 13 rings 6 6 7 8 15 16 17 rings > 17 > 4 > 0 > 0 > 0 > 0 > 1 > 3 > 006A75A400000002 > 47.6154 > 66.042 > 10608611 8 18409166593135845805 10871710 139 16320066278469532372 11132069 177 18187082884030111173 11471102 20 18343301427200211276 11543360 7 17703781540314141605 13380535 76 18408602552392437659 13897977 150 18411702097072082669 14026960 21 18048882084996048640 15219456 202 18410296921158920563 15375358 24 18408882949490690557 15775835 57 17988641938621607596 16945 1 18198356069196011958 18175812 5 18408608067030134766 18186145 218 18059308633544874928 200 152 17774999038548381719 20201158 50 18340773619950857303 20279233 1 18408889542006780217 20528008 55 18334858303396516525 20645477 56 18187366545255899633 20645477 70 18130225965015309039 20671657 53 17699018283943841022 21486144 27 18409448064049581085 21501502 16 18411414029320761071 22096605 113 18343862216742806701 23402539 116 18260821562637773711 23402655 69 18200590302947021157 23557571 272 18116452486044195463 23559900 14 18333734594123519870 2748010 2 18338531831721620422 4047638 21 18335423434887440425 495365 180 18201706341202601289 5104073 3 18335141981749518585 633830 44 18267015069151781517 69090 78 18409726236465479279 7364860 26 18337951169507849066 77492 1 15984832510115568315 81228 2 17823431555252966179 8809292 202 18261683583727352154 9709674 26 18410862027386969263 > 300.58 6.93 2.25 0.9 2.68 0.1 0 -3.2 -0.04 -1.3 0.08 -0.01 0.19 1.2 > 631.973 > 168.2 > 2 5 10 $$$$