RDKit 2D 43 45 0 0 0 0 0 0 0 0999 V2000 4.4608 2.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1093 1.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6033 3.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 3.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6834 1.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9227 0.8962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0348 -0.5996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4895 -2.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1595 -1.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5691 -2.3251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8122 3.1154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1116 1.1131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2050 3.2196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1832 0.7665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 4.7123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3490 3.5078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2632 3.7980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2161 4.6768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2489 2.9163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2930 0.2861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5326 -0.5175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7848 -1.8987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6528 -2.4970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3816 1.2136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8482 -0.6575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1398 2.6693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1595 1.8121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 3.8971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7990 1.8481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5561 3.7639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2291 -4.2535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9240 -3.2148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0084 -2.6978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6726 -0.4025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8222 -3.2736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7181 -1.3609 0.0000 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 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 6 11 13 1 0 13 14 1 0 14 15 1 1 14 16 1 0 16 17 1 0 6 2 1 0 14 8 1 0 11 5 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 6 3 22 1 0 3 23 1 0 4 24 1 0 4 25 1 0 5 26 1 1 6 27 1 6 7 28 1 0 7 29 1 0 8 30 1 1 9 31 1 0 9 32 1 0 10 33 1 0 10 34 1 0 12 35 1 0 12 36 1 0 12 37 1 0 15 38 1 0 15 39 1 0 15 40 1 0 16 41 1 0 16 42 1 0 17 43 1 0 M END