BER68J -OEChem-04022103363D 30 32 0 0 0 0 0 0 0999 V2000 -5.1675 1.3134 1.4355 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.5742 -0.5766 0.3647 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3169 -2.2538 -0.4953 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8639 -0.8566 -0.6253 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8308 0.1130 -0.3129 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2932 -0.5615 -1.5293 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9006 -0.2291 0.5482 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4918 -0.0514 -0.7969 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9506 -2.1449 -0.0967 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7595 1.4144 -0.8359 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9719 -1.5305 1.0716 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0025 -2.4812 0.7504 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8674 0.7402 0.8609 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7290 2.3648 -0.5148 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7090 1.2506 -0.5677 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7811 2.0284 0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4781 -1.0519 -0.3069 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8703 1.7054 0.1389 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7561 0.8073 0.5795 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0108 0.1214 -2.3392 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5572 -1.4706 -2.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2152 -2.9059 -0.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9928 1.7349 -1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7857 -1.8156 1.7351 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0710 -3.4848 1.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6986 0.4993 1.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6678 3.3655 -0.9326 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0387 2.0224 -0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5366 2.7682 0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9936 2.7715 0.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 17 1 0 0 0 0 2 19 1 0 0 0 0 3 17 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 2 0 0 0 0 5 7 1 0 0 0 0 5 10 2 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 11 1 0 0 0 0 7 13 2 0 0 0 0 8 15 2 0 0 0 0 8 17 1 0 0 0 0 9 12 1 0 0 0 0 9 22 1 0 0 0 0 10 14 1 0 0 0 0 10 23 1 0 0 0 0 11 12 2 0 0 0 0 11 24 1 0 0 0 0 12 25 1 0 0 0 0 13 16 1 0 0 0 0 13 26 1 0 0 0 0 14 16 2 0 0 0 0 14 27 1 0 0 0 0 15 18 1 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 18 19 2 0 0 0 0 18 30 1 0 0 0 0 M END $$$$