BI2JZ1 -OEChem-04022106273D 55 56 0 1 0 0 0 0 0999 V2000 3.5727 0.2190 -2.5018 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9019 1.6301 -2.5535 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9658 -0.6742 -3.5746 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6505 0.8341 -2.3642 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0220 -0.2742 0.2171 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8728 5.0141 1.3664 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3948 3.0499 2.3734 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9613 -0.9442 0.9787 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8987 0.0264 -2.2188 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2584 1.0825 -0.1123 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2360 -0.4424 -0.9903 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8961 1.5464 -0.0700 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7589 -0.4034 -0.9481 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3079 0.5822 -0.9915 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1308 0.9604 -1.2549 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7801 3.0687 0.0078 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3391 -0.9155 0.3472 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5654 -0.0360 1.4059 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6488 -2.2685 0.4862 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0573 3.6668 1.3735 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6782 -0.1238 0.4151 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1016 -0.5092 2.6035 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1848 -2.7418 1.6838 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4112 -1.8620 2.7424 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5947 -1.4878 0.7172 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0654 -1.4942 0.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9653 -0.9579 1.3411 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5329 -2.0357 -0.7776 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3326 -0.9635 1.0649 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9001 -2.0412 -1.0538 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8000 -1.5050 -0.1325 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8347 0.1483 -0.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8740 -1.4719 -0.8957 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4464 1.1096 0.8313 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1703 -0.9851 -1.7834 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1123 0.6222 -1.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8415 1.4836 -0.6781 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3355 -0.1740 -0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4922 -0.8768 -2.4965 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2396 3.3686 -0.2631 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4678 3.5341 -0.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9471 1.6485 -0.5992 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3261 1.0199 1.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4749 -2.9637 -0.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2773 0.1755 3.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4254 -3.7953 1.7924 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8283 -2.2307 3.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1090 -2.3494 0.2424 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4270 -1.5580 1.7992 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0452 5.4108 2.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6132 -0.5312 2.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8415 -2.4543 -1.5041 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0332 -0.5456 1.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2642 -2.4622 -1.9864 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8645 -1.5090 -0.3477 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 4 15 2 0 0 0 0 5 21 1 0 0 0 0 5 25 1 0 0 0 0 6 20 1 0 0 0 0 6 50 1 0 0 0 0 7 20 2 0 0 0 0 8 21 2 0 0 0 0 9 14 1 0 0 0 0 9 39 1 0 0 0 0 10 12 1 0 0 0 0 10 21 1 0 0 0 0 10 42 1 0 0 0 0 11 13 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 12 34 1 0 0 0 0 13 17 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 16 20 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 22 1 0 0 0 0 18 43 1 0 0 0 0 19 23 2 0 0 0 0 19 44 1 0 0 0 0 22 24 2 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 51 1 0 0 0 0 28 30 2 0 0 0 0 28 52 1 0 0 0 0 29 31 2 0 0 0 0 29 53 1 0 0 0 0 30 31 1 0 0 0 0 30 54 1 0 0 0 0 31 55 1 0 0 0 0 M END $$$$