RDKit 3D 47 49 0 0 0 0 0 0 0 0999 V2000 4.2221 2.1014 2.9114 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6975 0.6754 3.1146 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0695 -0.1954 2.1652 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6732 -0.2928 0.9533 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6874 0.3014 0.6157 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9115 -1.2093 0.0612 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8431 -1.1280 -1.2799 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0150 -2.2229 -1.9366 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1446 -2.8695 -0.8352 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0370 -2.5581 0.7300 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8414 -2.2574 -0.6904 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1249 -2.4361 -1.6609 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 -2.9522 -2.7449 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4846 -1.8694 -1.3074 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0997 -2.6767 0.1921 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.3592 -1.5033 0.6593 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6766 -0.4124 -0.0414 N 0 0 0 0 0 2 0 0 0 0 0 0 -4.6260 0.2120 0.6882 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8742 -0.4888 1.8229 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0614 -1.5922 1.7970 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3324 1.5655 0.2866 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9969 2.1966 -0.9152 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6185 3.3954 -1.2694 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5722 3.9630 -0.4228 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9082 3.3324 0.7769 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2899 2.1323 1.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8996 -3.2313 -2.5507 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6106 -4.0138 -3.0306 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4511 -0.0878 -2.1666 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1296 2.1533 2.9638 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6430 2.7640 3.6729 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5119 2.4758 1.9247 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7897 0.6041 3.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 0.3280 4.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3877 -1.7820 -2.7193 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0003 -3.9473 -0.9767 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4956 -2.1259 0.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1752 -2.0467 -2.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3530 -0.7906 -1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2543 1.7474 -1.5684 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3561 3.8820 -2.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0539 4.8964 -0.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6496 3.7707 1.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5462 1.6355 2.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6982 0.2992 -2.8611 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2710 -0.5146 -2.7518 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8382 0.7725 -1.6158 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 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 18 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 8 27 1 0 27 28 3 0 7 29 1 0 10 6 1 0 20 16 2 0 26 21 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 0 2 34 1 0 8 35 1 6 9 36 1 6 11 37 1 0 14 38 1 0 14 39 1 0 22 40 1 0 23 41 1 0 24 42 1 0 25 43 1 0 26 44 1 0 29 45 1 0 29 46 1 0 29 47 1 0 M CHG 1 17 -1 M END