RDKit 3D 47 49 0 0 0 0 0 0 0 0999 V2000 4.0622 0.1115 -1.1908 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0014 -0.8044 -1.7214 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7389 -0.6635 -1.3753 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1781 -0.7552 -0.1791 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4771 -2.1102 0.5296 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5934 0.2775 0.7809 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2665 1.6742 0.4679 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1522 2.1556 -0.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4416 3.5011 -0.6399 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4565 3.9623 0.2666 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1263 2.8339 0.6853 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2695 2.7944 1.1687 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1678 1.4802 -0.0691 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1664 2.3435 -0.5587 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0388 0.2675 -0.9573 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4718 -0.3127 -0.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5334 -1.0959 0.3288 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4308 -0.4621 1.3394 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0597 -2.4810 -0.0431 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0996 -1.2177 0.8315 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3186 -0.8684 -0.3836 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5810 -0.2622 -0.2782 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8466 0.2304 -2.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7070 1.1327 -0.9692 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4144 -1.8536 -1.6425 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0440 -0.6588 -2.8619 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5467 -2.2473 0.6624 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9368 -2.9250 0.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0296 -1.9728 1.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 -0.0220 1.7873 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6832 0.2065 0.9592 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7926 3.4562 -1.6694 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4617 4.1174 -0.4827 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4525 1.2480 0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9287 2.6808 -1.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7484 0.5811 -1.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2172 0.4921 -0.9447 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5570 -0.9432 -1.8608 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3290 -1.1174 1.5017 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7441 0.5344 0.9487 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8464 -0.3711 2.2913 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5676 -2.8374 -0.9629 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1369 -2.3268 -0.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9091 -3.2163 0.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9075 -0.5684 1.7051 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9834 -2.2586 1.1794 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4270 -1.7295 -1.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 3 1 6 4 5 1 0 4 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 8 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 17 20 1 0 20 21 1 0 21 4 1 0 11 7 1 0 21 15 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 5 27 1 0 5 28 1 0 5 29 1 0 6 30 1 0 6 31 1 0 9 32 1 0 9 33 1 0 13 34 1 1 14 35 1 0 15 36 1 6 16 37 1 0 16 38 1 0 18 39 1 0 18 40 1 0 18 41 1 0 19 42 1 0 19 43 1 0 19 44 1 0 20 45 1 0 20 46 1 0 21 47 1 6 M END