RDKit 3D 52 54 0 0 0 0 0 0 0 0999 V2000 1.8307 -3.8704 -1.2016 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5664 -2.4886 -0.9473 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6856 -1.7047 -0.9424 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8152 -2.1040 -1.1991 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3369 -0.2259 -0.6808 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5026 0.5743 -1.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9499 0.8792 -2.3754 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7252 2.0603 -1.2234 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9983 0.9829 -0.5145 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9494 -0.0656 -0.2018 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6818 -0.2888 1.1249 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5380 -0.6481 1.9233 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6345 -0.0593 1.4921 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0452 -0.4645 2.8608 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 0.7289 3.7528 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3684 1.5603 2.9757 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4249 1.5932 1.5999 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4562 2.4671 1.2884 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.0040 2.9646 2.4033 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3479 2.4187 3.4323 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5214 0.8232 0.6859 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2877 0.1003 -0.4087 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3782 0.6860 -1.6864 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1028 0.0681 -2.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7408 -1.1439 -2.4676 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6554 -1.7457 -1.2147 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9348 -1.1254 -0.1893 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7238 -1.9798 -3.8450 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.5260 -4.2755 -0.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2207 -4.0043 -2.2154 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8846 -4.4149 -1.1193 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0003 0.1326 0.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0354 0.0177 -2.8056 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9473 1.5195 -1.9125 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5494 -0.0303 -2.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9480 1.3546 -3.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5488 0.0929 -0.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7189 0.6915 -1.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5301 1.5293 0.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2779 -0.5273 -0.8031 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2599 -1.0482 3.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9062 -1.1332 2.7458 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9053 0.3870 4.6787 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5533 1.3309 4.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7726 2.6874 0.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8248 3.6703 2.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5500 2.6158 4.4115 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8745 1.5800 0.2193 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8744 1.6279 -1.9088 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1633 0.5350 -3.6906 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1423 -2.7016 -1.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8812 -1.6297 0.7733 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 5 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 17 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 25 28 1 0 21 13 1 0 20 16 1 0 27 22 1 0 1 29 1 0 1 30 1 0 1 31 1 0 5 32 1 1 6 33 1 0 6 34 1 0 7 35 1 0 7 36 1 0 9 37 1 0 9 38 1 0 9 39 1 0 10 40 1 0 14 41 1 0 14 42 1 0 15 43 1 0 15 44 1 0 18 45 1 0 19 46 1 0 20 47 1 0 21 48 1 6 23 49 1 0 24 50 1 0 26 51 1 0 27 52 1 0 M CHG 1 18 1 M END