B1UKM3 -OEChem-04022101392D 59 63 0 1 0 0 0 0 0999 V2000 9.4908 0.0859 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.4026 0.2271 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.5172 0.8881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7523 1.3108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3548 2.7286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8181 2.8397 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 -1.8382 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.1429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7066 2.1963 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0187 1.7550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.0243 1.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4270 2.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6850 3.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9053 3.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0952 2.6616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1980 1.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1824 3.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4752 1.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3880 1.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3724 2.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6651 0.9025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7679 -0.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9422 0.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -0.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.5335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9405 -0.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 1.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 1.9867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6801 1.2356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4076 1.7975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0232 1.2412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9634 2.3569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7923 3.1688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1465 3.7523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3214 3.8404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2528 3.7614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4600 3.6795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1372 0.8870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7640 1.4138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1186 3.6867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8064 2.7367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6014 1.5192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1512 -0.1560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8317 -0.7089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3846 -0.0285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4415 -0.6409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -2.3382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.9582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.5282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.1482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5160 2.7863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2909 1.7362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 24 1 0 0 0 0 2 27 1 0 0 0 0 3 10 1 0 0 0 0 3 44 1 0 0 0 0 21 4 1 1 0 0 0 4 23 1 0 0 0 0 5 32 2 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 25 1 0 0 0 0 7 28 1 0 0 0 0 7 30 1 0 0 0 0 8 28 2 0 0 0 0 8 29 1 0 0 0 0 9 32 1 0 0 0 0 9 58 1 0 0 0 0 9 59 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 19 1 0 0 0 0 16 45 1 0 0 0 0 17 20 2 0 0 0 0 17 46 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 26 1 0 0 0 0 23 27 2 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 25 29 2 0 0 0 0 26 52 1 0 0 0 0 27 32 1 0 0 0 0 28 31 1 0 0 0 0 29 53 1 0 0 0 0 30 33 2 0 0 0 0 30 54 1 0 0 0 0 31 34 2 0 0 0 0 31 55 1 0 0 0 0 33 34 1 0 0 0 0 33 56 1 0 0 0 0 34 57 1 0 0 0 0 M END $$$$