RDKit 3D 46 48 0 0 0 0 0 0 0 0999 V2000 8.7230 0.0912 1.2199 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2898 0.0766 0.7762 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3765 0.9998 1.2968 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0349 0.9702 0.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5790 0.0036 -0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4980 -0.9149 -0.5257 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8386 -0.8870 -0.1315 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1840 -0.0550 -0.4339 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7711 -0.2063 -1.6826 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3956 -0.2166 -1.6939 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9887 -0.1058 -0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0718 -0.0164 0.3885 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0472 0.0472 1.8293 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6506 -0.0760 0.1026 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5688 -0.1328 -1.4840 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6149 -1.5500 -2.0474 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9940 0.3912 -1.2588 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4474 1.2910 -1.9618 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6883 -0.2626 -0.2507 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0233 -0.0592 0.1486 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4586 -0.7549 1.2893 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7688 -0.6160 1.7611 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6551 0.2204 1.0947 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2266 0.9061 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9207 0.7735 -0.5233 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1566 1.7704 -0.7199 N 0 0 0 0 0 4 0 0 0 0 0 0 -8.7380 2.6327 -0.0484 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2887 1.5982 -1.9392 O 0 0 0 0 0 1 0 0 0 0 0 0 -8.9121 0.3208 1.5463 F 0 0 0 0 0 0 0 0 0 0 0 0 9.0501 1.1110 1.4489 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3805 -0.2909 0.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8441 -0.5292 2.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7085 1.7589 2.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3621 1.7277 1.2967 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1725 -1.6628 -1.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5286 -1.6186 -0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8716 -0.3949 2.2331 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0433 1.0128 2.1498 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0898 0.5438 -2.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6177 -1.9158 -2.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2233 -1.5747 -2.9589 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0633 -2.2622 -1.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1333 -0.8919 0.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7822 -1.4146 1.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1008 -1.1583 2.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6369 1.3205 -1.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 5 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 11 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 2 0 26 28 1 0 23 29 1 0 7 2 1 0 12 8 1 0 25 20 1 0 1 30 1 0 1 31 1 0 1 32 1 0 3 33 1 0 4 34 1 0 6 35 1 0 7 36 1 0 13 37 1 0 13 38 1 0 15 39 1 6 16 40 1 0 16 41 1 0 16 42 1 0 19 43 1 0 21 44 1 0 22 45 1 0 25 46 1 0 M CHG 2 26 1 28 -1 M END