RDKit 3D 49 52 0 0 0 0 0 0 0 0999 V2000 5.6226 -0.0260 1.8782 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0358 -0.4558 0.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2118 -1.7549 0.0985 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6930 -2.1196 -1.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9859 -1.1937 -1.9302 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7914 0.1369 -1.4817 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3506 0.4735 -0.2319 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1091 1.0141 -2.2698 N 0 0 0 0 0 2 0 0 0 0 0 0 2.2988 2.2949 -1.7632 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0681 3.2978 -1.0258 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4107 2.8622 -2.7786 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1955 1.6095 -0.6253 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0307 2.0560 0.6195 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0882 1.3473 1.3236 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3186 0.4440 0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2906 0.4813 -0.9155 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3739 -0.6030 0.7863 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6121 -0.6535 2.2447 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0506 -0.3815 2.3920 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4076 0.2900 1.1353 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5924 -0.2922 0.1243 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8884 0.1585 0.8266 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3571 -0.4765 -0.3342 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7267 -0.5760 -0.5911 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6480 -0.0386 0.3062 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2019 0.5993 1.4612 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8331 0.6988 1.7185 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4519 -1.6479 -3.2689 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0041 0.7451 2.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6305 0.3724 1.7249 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6779 -0.8665 2.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7559 -2.4860 0.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8436 -3.1350 -1.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2659 1.4953 0.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5664 2.8844 1.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4661 0.7155 -1.6671 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8002 -0.4596 -1.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0173 -1.5753 0.4302 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0655 0.1300 2.6395 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5515 -1.2743 2.3864 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1638 1.3598 1.1927 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6552 -0.8943 -1.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0711 -1.0685 -1.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7124 -0.1140 0.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9165 1.0218 2.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4972 1.1998 2.6248 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6094 -2.7215 -3.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3733 -1.4689 -3.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9653 -1.1202 -4.0786 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 6 8 1 0 8 9 1 0 9 10 2 0 9 11 2 0 9 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 5 28 1 0 7 2 1 0 16 12 1 0 21 17 1 0 27 22 1 0 1 29 1 0 1 30 1 0 1 31 1 0 3 32 1 0 4 33 1 0 7 34 1 0 13 35 1 0 16 36 1 0 16 37 1 0 17 38 1 6 18 39 1 0 19 40 1 0 20 41 1 1 23 42 1 0 24 43 1 0 25 44 1 0 26 45 1 0 27 46 1 0 28 47 1 0 28 48 1 0 28 49 1 0 M CHG 1 8 -1 M END