RDKit 3D 44 44 0 0 0 0 0 0 0 0999 V2000 3.8066 0.5933 1.7257 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3295 -0.1559 0.5072 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1671 -0.6727 -0.4161 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5456 -1.3641 -1.5782 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2121 -1.8420 -2.4894 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1892 -1.4230 -1.5736 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4576 -0.8575 -0.5865 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9556 -0.2360 0.4248 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2483 -1.0416 -0.8357 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8433 -0.6393 0.8353 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3516 -0.7984 0.9074 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8920 -1.5596 1.7047 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0550 0.0323 0.0551 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4922 -0.1061 -0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3136 0.0790 1.1549 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6710 0.5556 0.9299 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5671 -0.1509 0.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2687 -1.1361 -0.5057 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9708 0.3922 0.1947 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6735 -0.6643 -0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2615 0.4410 -1.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7623 0.4421 -1.1792 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4664 -0.1927 -0.4131 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3101 1.2853 -2.0762 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8288 0.9679 1.6275 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7540 -0.0527 2.6079 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1717 1.4685 1.9053 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7291 -1.8824 -2.3432 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5908 0.3925 1.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3871 -1.3175 1.5637 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5314 0.3862 -0.7376 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7747 0.6489 -0.8733 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6766 -1.0934 -0.5679 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3813 -0.8637 1.7085 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8364 0.8192 1.8067 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0487 1.1895 1.6221 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0076 1.3899 0.6412 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6012 -0.2834 0.7792 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3523 0.4619 -0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0342 -0.5594 0.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0573 -1.6412 -0.7002 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9043 1.4224 -0.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9692 0.2931 -2.2977 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2757 1.1952 -1.9337 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 4 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 3 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 8 2 1 0 1 25 1 0 1 26 1 0 1 27 1 0 6 28 1 0 10 29 1 0 10 30 1 0 13 31 1 0 14 32 1 0 14 33 1 0 15 34 1 0 15 35 1 0 16 36 1 0 19 37 1 0 19 38 1 0 19 39 1 0 20 40 1 0 20 41 1 0 21 42 1 0 21 43 1 0 24 44 1 0 M END