BV2UR3 -OEChem-04022116003D 49 52 0 1 0 0 0 0 0999 V2000 -8.7694 -0.4052 -0.9829 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.8717 -0.8660 1.3823 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8648 -3.5467 1.1448 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5501 1.0131 0.9302 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8143 0.1522 -0.4700 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6135 -2.6306 -0.1118 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6392 0.2464 0.3053 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9957 2.8975 1.5878 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9321 -1.3752 -0.7326 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8029 -1.2282 0.3748 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5930 -0.6643 -0.8141 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9010 0.8230 0.2451 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9081 -0.6835 0.1643 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6968 -1.2329 0.1485 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8942 0.3985 -1.9083 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3788 -2.6234 0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8633 1.2470 -0.8659 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9416 1.4916 -2.0574 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2749 0.1142 0.5005 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5486 -0.7928 -0.2045 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3437 1.4994 0.6031 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8807 -0.1187 -0.2095 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7625 1.1974 0.2546 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3948 1.9829 0.9957 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1051 -0.6338 -0.5963 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8664 2.0267 0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2254 0.1958 -0.5116 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1071 1.5158 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3465 -1.5953 -1.7181 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0770 -0.6966 1.2958 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6783 0.4263 -0.7715 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1031 -0.9251 -1.7609 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3745 0.1159 0.9351 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1756 -1.9777 0.7949 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9404 -1.4870 -0.8884 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2255 -0.5265 -2.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9199 0.6896 -2.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2266 -3.4398 -0.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5406 0.4169 -1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4727 2.1222 -0.6196 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4721 2.4788 -1.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4635 1.4452 -3.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5276 -1.6519 0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2355 -1.0813 -1.2119 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9245 2.2974 -0.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2173 1.7332 1.6645 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1836 -1.6555 -0.9543 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7768 3.0462 0.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9831 2.1573 0.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 13 2 0 0 0 0 3 16 2 0 0 0 0 4 19 2 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 15 1 0 0 0 0 6 9 1 0 0 0 0 6 16 1 0 0 0 0 6 38 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 24 3 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 16 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 17 1 0 0 0 0 12 24 1 0 0 0 0 12 33 1 0 0 0 0 14 19 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 18 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 20 22 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 23 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 26 1 0 0 0 0 25 27 2 0 0 0 0 25 47 1 0 0 0 0 26 28 2 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 28 49 1 0 0 0 0 M END $$$$