RDKit 3D 54 57 0 0 0 0 0 0 0 0999 V2000 -4.1210 0.5703 -0.9106 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4188 0.2246 -0.5272 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8770 -1.0808 -0.7435 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0475 -2.0362 -1.3378 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7515 -1.6784 -1.7167 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2732 -0.3776 -1.5063 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8563 0.0033 -1.9082 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7111 -0.4186 -0.9372 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5231 0.4918 -1.1641 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6707 1.3146 0.1259 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6846 1.2239 0.7927 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0651 -0.1494 0.4938 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7735 1.6033 2.2499 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3977 0.9079 3.1837 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3039 1.5506 4.3987 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6818 2.7778 4.3758 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1918 3.1467 2.7777 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8267 0.6507 0.8387 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2273 0.9572 1.9548 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4527 -0.1899 -0.0392 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8713 -0.1725 -1.2749 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3839 -0.5134 -2.3330 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6695 -0.9136 0.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9232 -0.0310 0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2946 0.5043 -1.1582 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7586 -0.5763 -2.1302 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9764 -1.1586 -1.6736 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2930 -1.9357 -1.1326 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6953 -2.4812 -2.1995 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4384 -2.4265 -0.2246 O 0 0 0 0 0 1 0 0 0 0 0 0 -7.2426 -1.4442 -0.3500 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.9394 -0.5727 0.1936 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6336 -2.5959 -0.5920 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.7690 1.5839 -0.7338 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0506 0.9771 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3791 -3.0574 -1.5093 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1071 -2.4297 -2.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6707 -0.3721 -2.9232 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8464 1.0967 -2.0247 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3945 1.1712 -2.0151 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9612 2.3477 -0.1003 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3799 1.8909 0.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0243 -0.3860 0.7285 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7188 1.0750 5.2782 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5021 3.4561 5.1958 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7657 -1.7641 -0.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5624 -1.3156 1.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7664 -0.6029 0.6356 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7823 0.8263 0.8997 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1105 1.2260 -1.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4550 1.0580 -1.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9439 -0.1415 -3.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0203 -1.3725 -2.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6282 -0.4419 -1.6049 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 8 7 1 6 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 10 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 2 0 20 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 8 28 1 0 28 29 2 0 28 30 1 0 3 31 1 0 31 32 2 0 31 33 1 0 6 1 1 0 12 8 1 0 21 9 1 0 17 13 1 0 1 34 1 0 2 35 1 0 4 36 1 0 5 37 1 0 7 38 1 0 7 39 1 0 9 40 1 6 10 41 1 6 11 42 1 6 12 43 1 0 15 44 1 0 16 45 1 0 23 46 1 0 23 47 1 0 24 48 1 0 24 49 1 0 25 50 1 0 25 51 1 0 26 52 1 0 26 53 1 0 27 54 1 0 M CHG 3 30 -1 31 1 33 -1 M END