RDKit 3D 49 51 0 0 0 0 0 0 0 0999 V2000 1.7568 4.0518 1.2127 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6385 3.3527 0.3692 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6109 1.9590 0.3822 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7534 1.2559 1.1894 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7599 -0.1434 1.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8515 -0.8767 2.0567 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 -1.1160 1.5534 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2385 -1.9909 2.5575 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0808 -1.9389 3.8030 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0842 -2.8478 1.8882 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6667 -2.9444 0.5241 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6222 -1.8980 0.2994 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7763 -1.1033 -0.9594 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9510 -0.2417 -1.0407 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8997 1.0579 -0.5852 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9685 1.9132 -0.6393 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1872 1.4956 -1.1719 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2609 2.3870 -1.2152 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2677 0.2046 -1.6344 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4568 -0.2709 -2.1773 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1531 -0.6524 -1.5662 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6143 -0.8386 0.3529 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4741 -0.1035 -0.4565 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3381 -0.7893 -1.2831 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3497 -2.1929 -1.3071 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4803 1.2924 -0.4494 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3599 1.9752 -1.2780 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0796 3.9505 2.2833 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7365 3.7067 1.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8104 5.1223 0.9327 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0540 1.7767 1.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8068 -0.3206 3.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3745 -1.8379 2.3357 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1224 -0.1800 1.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5231 -2.9340 -0.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2217 -3.9785 0.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3649 -2.4451 0.1875 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1741 -0.5305 -1.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7687 -1.8448 -1.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9896 1.4588 -0.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9131 2.9331 -0.2767 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1537 2.1495 -1.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2727 0.2954 -2.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2936 -1.6547 -1.9585 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6527 -1.9398 0.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3594 -2.5254 -1.6793 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1336 -2.5942 -1.9801 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4986 -2.5843 -0.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3635 2.9801 -1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 1 0 19 21 2 0 12 11 1 0 11 10 1 0 10 8 1 0 8 9 2 0 5 22 2 0 22 23 1 0 23 24 1 0 24 25 1 0 23 26 2 0 26 27 1 0 26 3 1 0 8 7 1 0 21 14 1 0 1 28 1 0 1 29 1 0 1 30 1 0 4 31 1 0 6 32 1 0 6 33 1 0 7 34 1 6 12 37 1 6 13 38 1 0 13 39 1 0 15 40 1 0 16 41 1 0 18 42 1 0 20 43 1 0 21 44 1 0 11 35 1 0 11 36 1 0 22 45 1 0 25 46 1 0 25 47 1 0 25 48 1 0 27 49 1 0 M END