RDKit 3D 48 52 0 0 0 0 0 0 0 0999 V2000 -2.4530 3.5428 1.3179 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0132 2.3252 0.6006 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8302 1.8697 -0.5692 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9327 1.6650 0.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5386 0.4494 0.2276 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8888 0.3606 0.0422 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8253 1.2389 -0.5812 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3524 2.2207 -1.2112 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2781 1.0735 -0.5357 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8962 1.1239 -1.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1827 0.3433 -1.7722 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0939 -0.3393 -0.4353 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7033 -0.2219 -0.1038 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8182 -1.1076 0.5152 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2149 -2.2105 1.0419 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3726 -0.8382 0.6062 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4072 -1.5458 1.1424 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8702 -0.8200 0.9609 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5452 -0.5937 2.2336 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1130 0.0892 3.2212 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7857 -1.2567 2.2228 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9093 -1.9067 0.9504 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9777 -2.6879 0.4836 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8586 -3.2064 -0.7828 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7507 -2.9815 -1.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7160 -2.2162 -1.1019 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8083 -1.6728 0.1879 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7351 3.8753 2.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3984 3.2978 1.8435 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6194 4.3457 0.5658 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7284 2.4833 -0.7057 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1614 0.8179 -0.4194 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2573 1.9008 -1.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3788 2.0362 1.8352 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0557 0.4326 -0.7511 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7788 1.8361 0.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1797 0.5548 -2.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0541 2.1479 -2.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0607 1.0191 -1.8412 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2579 -0.4264 -2.5575 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4405 -1.3916 -0.4653 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6711 0.2736 0.2855 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4770 -2.5124 1.6492 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5243 -1.2973 2.9877 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8630 -2.8720 1.1055 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6478 -3.8169 -1.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6673 -3.4022 -2.5853 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8138 -1.9994 -1.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 16 1 0 16 17 2 0 18 17 1 1 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 16 14 1 0 14 15 2 0 14 13 1 0 13 12 1 0 12 11 1 0 11 10 1 0 10 9 1 0 9 7 1 0 7 8 2 0 18 5 1 0 27 18 1 0 9 13 1 0 7 6 1 0 27 22 1 0 1 28 1 0 1 29 1 0 1 30 1 0 3 31 1 0 3 32 1 0 3 33 1 0 4 34 1 0 5 35 1 6 17 43 1 0 21 44 1 0 23 45 1 0 24 46 1 0 25 47 1 0 26 48 1 0 12 41 1 0 12 42 1 0 11 39 1 0 11 40 1 0 10 37 1 0 10 38 1 0 9 36 1 1 M END