RDKit 3D 51 52 0 0 0 0 0 0 0 0999 V2000 -5.3128 -0.3951 -1.3703 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3664 -0.0208 -0.2652 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0241 0.5176 -0.4758 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3541 0.6675 0.7307 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2906 0.2291 2.0610 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.6422 -0.1629 1.0928 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8483 -0.5928 1.7838 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8714 -1.2808 2.7998 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0274 -0.1363 1.2607 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0623 1.1589 0.8885 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2678 1.0526 2.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5238 0.4652 3.0619 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1231 1.6685 1.8286 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2615 0.6518 1.8675 N 0 0 0 0 0 4 0 0 0 0 0 0 2.4877 0.0970 3.2481 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1117 -0.4389 0.8305 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4280 -0.8415 0.2798 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2852 -1.8263 0.7294 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3671 -1.8100 -0.1041 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2850 -0.8599 -1.0459 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0955 -0.2881 -0.8518 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6384 0.7886 -1.7698 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5290 -2.6692 -0.0528 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3570 0.8515 -1.7447 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1806 1.2124 -1.7787 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1528 0.7359 -2.8380 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5251 1.0700 -4.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8047 -0.9999 -2.1286 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1553 -0.9906 -1.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7087 0.5069 -1.8466 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8523 -0.3016 1.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0544 0.6249 0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6428 1.4688 0.0075 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3056 2.3959 2.6252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2108 2.1899 0.8667 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1172 1.1660 1.6246 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4486 -0.4183 3.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5286 0.9312 3.9529 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6870 -0.5952 3.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4847 -0.0428 0.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5780 -1.2779 1.2923 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2196 -2.5349 1.5465 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2459 1.6357 -1.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4544 1.1572 -2.3995 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8451 0.4124 -2.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7756 -2.9863 -1.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3527 -2.0990 0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3033 -3.5408 0.5637 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2656 0.9557 -4.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1904 2.1084 -4.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6885 0.3904 -4.2829 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 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 4 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 19 23 1 0 3 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 6 2 2 0 21 17 1 0 1 28 1 0 1 29 1 0 1 30 1 0 9 31 1 0 9 32 1 0 10 33 1 0 13 34 1 0 13 35 1 0 14 36 1 0 15 37 1 0 15 38 1 0 15 39 1 0 16 40 1 0 16 41 1 0 18 42 1 0 22 43 1 0 22 44 1 0 22 45 1 0 23 46 1 0 23 47 1 0 23 48 1 0 27 49 1 0 27 50 1 0 27 51 1 0 M CHG 1 14 1 M END