RDKit 3D 46 48 0 0 0 0 0 0 0 0999 V2000 4.2326 2.6955 0.5808 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5420 1.6212 0.3535 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7914 0.6106 0.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3808 0.4980 0.0215 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 -0.5699 -0.2349 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8124 -0.6946 -0.3503 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7158 0.0788 0.5057 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5220 1.5511 0.6517 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8425 2.1351 1.2062 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7860 2.2990 0.0603 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6884 1.0261 -0.7639 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1683 -0.1201 0.1131 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4375 -1.3524 -0.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5449 -2.2882 -0.7737 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2152 -2.1709 -0.1633 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2846 -3.1630 -0.7628 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3627 -1.6893 -0.4161 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6325 -1.7075 -0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2516 -2.8423 -0.5218 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4358 -0.6555 -0.0754 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9128 -0.6963 0.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4808 -0.8726 -1.3181 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1364 2.6903 1.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6191 3.6270 0.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7236 3.1190 -0.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8880 1.4780 0.1546 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0741 -0.5303 -1.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6382 -0.3657 1.5537 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3439 2.0958 -0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7745 1.7824 1.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6232 3.0940 1.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2844 1.4677 1.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8413 2.4707 0.3978 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4995 3.1284 -0.5989 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6904 0.7109 -1.1016 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0488 1.1073 -1.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8108 -0.1851 1.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3992 -1.4542 -1.1179 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7524 -3.1948 -1.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3434 -2.2931 0.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9632 -4.0630 -1.0758 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3805 -3.6583 -0.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1593 -2.8923 -1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1249 -1.8033 0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4376 -0.0267 0.6129 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9834 0.0025 -1.4786 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 20 2 0 20 21 1 0 21 22 1 0 20 18 1 0 18 19 2 0 18 17 1 0 17 5 1 0 5 4 2 0 5 6 1 0 6 15 1 0 15 16 1 0 15 14 1 0 14 13 2 0 13 12 1 0 12 11 1 0 11 10 1 0 10 9 1 0 9 8 1 0 8 7 1 0 4 3 1 0 7 6 1 0 7 12 1 0 1 23 1 0 1 24 1 0 1 25 1 0 21 44 1 0 21 45 1 0 22 46 1 0 4 26 1 0 6 27 1 6 15 40 1 1 16 41 1 0 16 42 1 0 16 43 1 0 14 39 1 0 13 38 1 0 12 37 1 1 11 35 1 0 11 36 1 0 10 33 1 0 10 34 1 0 9 31 1 0 9 32 1 0 8 29 1 0 8 30 1 0 7 28 1 1 M END