BISP89 -OEChem-04012115182D 47 51 0 1 0 0 0 0 0999 V2000 2.0000 -0.7912 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.2393 0.9195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2393 2.9889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6646 -0.2482 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6428 -0.0403 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1646 0.6178 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8338 1.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7473 0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 0.7223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6133 1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2579 -1.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -0.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 1.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4793 0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6133 2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3454 1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2634 -1.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8457 -1.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3454 2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4793 2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 0.0178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7688 1.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 0.9314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1454 1.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1454 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8566 -2.1798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4389 -2.8843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4444 -2.9889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9424 1.1966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1437 1.8979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3322 1.7254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8345 -0.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1278 2.1375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4793 0.3342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0764 2.7642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8989 -0.7647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4623 -1.9060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4793 3.5742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 2.3068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5644 0.9962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3544 0.8497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7562 1.5395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7562 2.3689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3544 3.0587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2400 -2.2447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8034 -3.3859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1922 -3.5553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 16 1 0 0 0 0 2 24 1 0 0 0 0 3 19 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 5 8 2 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 10 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 17 2 0 0 0 0 11 18 1 0 0 0 0 12 21 1 0 0 0 0 12 32 1 0 0 0 0 13 22 2 0 0 0 0 13 33 1 0 0 0 0 14 16 1 0 0 0 0 14 34 1 0 0 0 0 15 20 2 0 0 0 0 15 35 1 0 0 0 0 16 19 2 0 0 0 0 17 26 1 0 0 0 0 17 36 1 0 0 0 0 18 27 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 20 38 1 0 0 0 0 21 23 2 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 28 2 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 M END $$$$