RDKit 3D 45 45 0 0 0 0 0 0 0 0999 V2000 6.1715 1.5347 1.6118 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6704 0.5880 0.7014 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8479 -0.1455 -0.1417 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4834 0.0676 -0.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5820 -0.6058 -0.8703 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1581 -0.3398 -0.7609 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5896 0.5211 0.0539 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1130 0.6930 0.0611 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3700 1.5159 0.8468 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6338 -0.0473 -0.7804 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0349 0.0204 -0.8558 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6562 -0.4413 0.3934 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4361 0.2901 1.5241 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0521 -1.0043 0.3585 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0005 -1.8463 1.5778 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1618 -0.0879 0.6993 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.2761 -0.9352 1.1617 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8065 0.7319 -0.3546 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.8351 1.4926 0.2996 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0352 1.5679 -1.2365 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1445 2.7823 -1.1852 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0742 -1.5388 -1.7674 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4281 -1.7548 -1.8337 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3284 -1.0700 -1.0314 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7014 -1.3118 -1.1219 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4883 2.2727 1.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6449 0.9867 2.4206 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0259 2.0753 2.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1501 0.8078 0.6387 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4798 -0.9062 -1.4169 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2091 1.0945 0.7103 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2394 1.1069 -1.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3452 -0.6168 -1.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0215 -1.4243 0.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9810 1.1080 1.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1760 -1.7136 -0.4337 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7820 -2.4416 1.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9148 0.4902 1.6008 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5701 -1.3376 0.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4280 0.0457 -1.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4205 1.9528 1.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3524 1.1639 -1.9601 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3602 -2.0665 -2.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8354 -2.4757 -2.5238 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3323 -0.7987 -0.5258 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 24 2 0 24 25 1 0 24 23 1 0 23 22 2 0 22 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 2 0 5 4 2 0 4 3 1 0 1 26 1 0 1 27 1 0 1 28 1 0 25 45 1 0 23 44 1 0 22 43 1 0 6 30 1 0 7 31 1 0 11 32 1 0 11 33 1 0 12 34 1 1 13 35 1 0 14 36 1 6 15 37 1 0 16 38 1 1 17 39 1 0 18 40 1 6 19 41 1 0 20 42 1 0 4 29 1 0 M END