RDKit 3D 45 47 0 0 0 0 0 0 0 0999 V2000 3.3585 1.2577 -0.6078 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3818 0.5818 0.2796 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6148 -0.9092 0.4117 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2224 -1.5679 0.4390 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0598 -2.1316 -0.8463 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1722 -1.2714 -1.9222 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3749 -1.6635 -3.0988 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0497 0.1684 -1.6831 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9540 0.6026 -0.2881 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2528 1.8831 -0.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2013 1.7881 -0.3007 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4622 2.1391 -1.6490 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8654 0.4802 -0.0603 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3967 -0.1429 -1.3594 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0627 0.7728 0.6440 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0685 -0.5120 0.7478 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5579 -0.3622 2.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5384 -1.9315 0.3981 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8843 -2.0445 0.7013 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3770 -0.3758 0.7063 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8400 0.0928 1.9702 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9502 2.1606 -1.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2066 1.6251 0.0425 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8619 0.5724 -1.3408 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3386 1.0976 1.2571 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2446 -1.3259 -0.3797 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1193 -1.0635 1.3877 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1882 -2.3515 1.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9822 0.6330 -2.1316 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2427 0.5877 -2.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6985 2.6915 -0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4120 2.1606 1.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6794 2.6398 0.2753 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4539 3.1300 -1.7522 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3143 -0.7287 -1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6690 0.6903 -2.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6791 -0.7636 -1.8787 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7589 0.1154 0.4725 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1130 0.5529 2.6663 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6326 -0.2780 2.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2244 -1.2180 2.8175 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9840 -2.5885 1.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2514 -2.2682 -0.5875 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9729 -2.1999 1.6748 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8676 -0.7251 2.5407 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 1 0 5 6 1 0 6 7 2 0 6 8 1 0 9 8 1 6 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 13 15 1 1 13 16 1 0 16 17 1 1 16 18 1 0 18 19 1 0 16 20 1 0 20 21 1 1 9 2 1 0 20 9 1 0 20 4 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 1 3 26 1 0 3 27 1 0 4 28 1 1 8 29 1 0 8 30 1 0 10 31 1 0 10 32 1 0 11 33 1 1 12 34 1 0 14 35 1 0 14 36 1 0 14 37 1 0 15 38 1 0 17 39 1 0 17 40 1 0 17 41 1 0 18 42 1 0 18 43 1 0 19 44 1 0 21 45 1 0 M END