BN0IH2 -OEChem-04022107412D 86 88 0 1 0 0 0 0 0999 V2000 7.2420 0.0000 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 4.1098 6.3988 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.7276 9.1264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0119 5.7807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7766 9.4354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0824 9.0753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1650 10.1556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4708 9.7955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3497 6.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8497 7.6588 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.1924 7.4791 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6298 8.5084 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2414 7.7881 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5407 6.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4982 7.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1588 6.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8497 7.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5472 7.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8866 7.8392 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0945 6.8611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3497 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9355 8.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8530 7.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8040 6.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5897 6.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2619 8.4679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 8.4679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0456 6.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0334 8.7663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4837 4.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2158 4.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2535 5.5739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7887 7.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4837 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2158 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4218 9.4865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3497 3.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2045 5.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7398 6.9122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9477 5.9340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9571 11.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7002 11.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6513 11.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4923 12.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3944 12.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2355 13.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1865 13.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3702 7.1817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2071 6.5716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9868 6.7373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8382 7.9754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0586 7.8097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4763 7.6476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3213 6.8727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4749 6.8394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0082 6.2471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1440 7.6153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3644 7.4496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3981 6.9884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.2072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7812 5.8091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7635 8.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8975 8.9694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7604 8.1034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9391 8.1034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8019 8.9694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9359 8.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2194 8.3168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9468 4.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7527 4.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7927 5.1590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6598 7.8276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9468 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7527 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3497 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3334 4.6584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2005 7.3270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6477 10.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5373 5.7424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6285 11.6596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3822 10.9015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7802 10.8874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9027 12.9726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9841 11.9714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1065 14.0566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6473 13.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 16 1 0 0 0 0 2 23 1 0 0 0 0 3 22 2 0 0 0 0 4 24 2 0 0 0 0 5 29 1 0 0 0 0 5 78 1 0 0 0 0 6 29 2 0 0 0 0 7 36 1 0 0 0 0 7 41 1 0 0 0 0 8 36 2 0 0 0 0 9 14 1 0 0 0 0 9 16 1 0 0 0 0 9 21 1 0 0 0 0 10 16 2 0 0 0 0 10 17 1 0 0 0 0 10 27 1 0 0 0 0 13 11 1 1 0 0 0 11 22 1 0 0 0 0 11 54 1 0 0 0 0 19 12 1 1 0 0 0 12 36 1 0 0 0 0 12 68 1 0 0 0 0 13 15 1 0 0 0 0 13 29 1 0 0 0 0 13 48 1 0 0 0 0 14 17 2 0 0 0 0 14 25 1 0 0 0 0 15 18 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 17 26 1 0 0 0 0 18 24 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 19 53 1 0 0 0 0 20 28 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 30 2 0 0 0 0 21 31 1 0 0 0 0 23 24 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 26 64 1 0 0 0 0 27 65 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 28 32 2 0 0 0 0 28 33 1 0 0 0 0 30 34 1 0 0 0 0 30 69 1 0 0 0 0 31 35 2 0 0 0 0 31 70 1 0 0 0 0 32 38 1 0 0 0 0 32 71 1 0 0 0 0 33 39 2 0 0 0 0 33 72 1 0 0 0 0 34 37 2 0 0 0 0 34 73 1 0 0 0 0 35 37 1 0 0 0 0 35 74 1 0 0 0 0 37 75 1 0 0 0 0 38 40 2 0 0 0 0 38 76 1 0 0 0 0 39 40 1 0 0 0 0 39 77 1 0 0 0 0 40 79 1 0 0 0 0 41 42 1 0 0 0 0 41 80 1 0 0 0 0 41 81 1 0 0 0 0 42 43 2 0 0 0 0 42 44 1 0 0 0 0 43 45 1 0 0 0 0 43 82 1 0 0 0 0 44 46 2 0 0 0 0 44 83 1 0 0 0 0 45 47 2 0 0 0 0 45 84 1 0 0 0 0 46 47 1 0 0 0 0 46 85 1 0 0 0 0 47 86 1 0 0 0 0 M CHG 2 1 -1 10 1 M END $$$$