B9VD7M -OEChem-04022104523D 48 49 0 1 0 0 0 0 0999 V2000 0.0611 0.7264 -1.3028 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1303 2.7352 -0.9491 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5942 -2.7401 -0.8323 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1126 1.2032 0.7937 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2284 3.9993 0.8325 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 0.0071 0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1544 2.5880 0.4466 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1241 2.4360 -0.6761 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3774 0.5035 0.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8210 -1.5051 0.1096 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5674 2.2099 0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4290 0.6602 0.5538 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0178 0.7623 1.2377 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1764 -2.0875 1.2009 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0556 0.6999 -1.1772 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3549 -2.3106 -0.8963 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4013 -0.5267 -0.3998 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3362 1.2174 1.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0656 -3.4753 1.2864 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3740 1.1551 -1.1683 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2440 -3.6985 -0.8109 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5749 -1.6928 0.1288 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0144 1.4138 0.0436 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5994 -4.2808 0.2804 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4909 0.3901 0.9395 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8533 2.0191 1.3313 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4086 3.0604 -1.5318 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8678 2.7749 -0.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8386 0.3616 1.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0722 1.4472 0.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5747 0.8142 1.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5024 0.6122 2.1826 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2470 -1.4756 1.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6010 0.4897 -2.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8537 -1.8831 -1.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4263 -0.8680 -0.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0033 -0.2188 -1.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8382 4.1005 1.6434 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3079 4.3211 1.1298 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8351 1.4183 2.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 -3.9287 2.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9042 1.3033 -2.1045 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6576 -4.3258 -1.5951 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5353 -1.3979 0.2885 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9884 -2.0716 1.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0414 1.7669 0.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5122 -5.3613 0.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0514 -3.4638 -0.4755 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 2 11 2 0 0 0 0 3 22 1 0 0 0 0 3 48 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 31 1 0 0 0 0 5 7 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 13 2 0 0 0 0 9 15 1 0 0 0 0 10 14 2 0 0 0 0 10 16 1 0 0 0 0 12 17 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 18 1 0 0 0 0 13 32 1 0 0 0 0 14 19 1 0 0 0 0 14 33 1 0 0 0 0 15 20 2 0 0 0 0 15 34 1 0 0 0 0 16 21 2 0 0 0 0 16 35 1 0 0 0 0 17 22 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 23 2 0 0 0 0 18 40 1 0 0 0 0 19 24 2 0 0 0 0 19 41 1 0 0 0 0 20 23 1 0 0 0 0 20 42 1 0 0 0 0 21 24 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 M END $$$$