RDKit 3D 48 50 0 0 0 0 0 0 0 0999 V2000 -1.7344 1.6447 4.1902 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2583 2.4301 2.9938 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6251 1.5491 1.8797 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9353 1.0620 1.8954 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7533 1.3303 2.7751 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3291 0.1704 0.7906 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6268 -0.3418 0.6953 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9532 -1.1902 -0.3643 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9941 -1.5313 -1.3323 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6982 -0.9976 -1.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3597 -0.1499 -0.1521 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0536 0.3398 -0.0716 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7404 1.1349 0.8943 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0835 1.7169 0.9627 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 0.8809 -0.4849 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3688 1.6449 -1.7744 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1821 0.7623 -0.3145 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8572 1.5848 0.2986 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6989 -0.3414 -0.9828 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0469 -0.7696 -1.0592 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0990 -0.1266 -0.3949 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4114 -0.6129 -0.5238 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6887 -1.7397 -1.3092 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6445 -2.3856 -1.9699 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3367 -1.9062 -1.8439 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0824 -2.7495 -2.6886 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.5124 0.0625 0.1767 N 0 0 0 0 0 4 0 0 0 0 0 0 8.6691 -0.2752 -0.1157 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2254 0.9197 1.0221 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.3380 -2.4562 -2.4815 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4050 -2.7281 -3.2994 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5306 -2.8894 -2.5363 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.8425 1.0656 3.9313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4887 0.9419 4.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4765 2.3258 5.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1375 3.0060 3.3073 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5184 3.1691 2.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3811 -0.0891 1.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9606 -1.5975 -0.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9477 -1.2583 -1.9535 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2650 -0.1391 -0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7045 1.7583 -1.9566 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8220 2.6439 -1.7629 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7916 1.1154 -2.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0386 -0.9209 -1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9209 0.7500 0.2205 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7022 -2.1230 -1.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8532 -3.2613 -2.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 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 25 26 1 0 22 27 1 0 27 28 2 0 27 29 1 0 9 30 1 0 30 31 2 0 30 32 1 0 13 3 1 0 11 6 1 0 25 20 1 0 1 33 1 0 1 34 1 0 1 35 1 0 2 36 1 0 2 37 1 0 7 38 1 0 8 39 1 0 10 40 1 0 15 41 1 6 16 42 1 0 16 43 1 0 16 44 1 0 19 45 1 0 21 46 1 0 23 47 1 0 24 48 1 0 M CHG 3 27 1 29 -1 32 -1 M END