RDKit 3D 57 61 0 0 0 0 0 0 0 0999 V2000 8.7942 -0.3158 0.6084 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4391 1.1269 0.9427 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6341 1.7127 -0.0821 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3069 1.3763 -0.1479 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6899 1.7183 -1.3506 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3393 1.4283 -1.5799 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5881 0.7928 -0.5763 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2134 0.4730 0.6275 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5724 0.7552 0.8674 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0614 -0.2701 1.6615 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8525 -0.1102 0.4644 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2585 0.4374 -0.6631 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5559 -0.5446 0.6610 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4691 -0.4242 -0.3393 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5704 -1.2593 0.2265 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3379 -1.7022 1.4773 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0798 -1.2074 1.7896 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6692 -1.4022 2.8456 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9664 -2.4034 2.3128 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.7270 -1.5060 -0.6792 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6623 -1.2297 -1.8809 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9945 -2.0718 -0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0827 -3.4071 0.1955 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3173 -3.9377 0.5672 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4661 -3.1395 0.5255 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3870 -1.8119 0.1012 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1469 -1.2816 -0.2646 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4392 -0.9436 -0.0211 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6910 -1.3892 0.4762 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8706 1.0297 -0.5906 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8756 1.5306 -1.9038 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2391 2.8542 -2.1636 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6123 3.6964 -1.1172 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6089 3.2062 0.1841 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2455 1.8896 0.4552 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9671 4.0019 1.2349 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2948 -0.3693 -0.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9008 -0.9427 0.5434 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4567 -0.7394 1.3702 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3665 1.7116 0.9738 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9907 1.2294 1.9352 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2660 2.2133 -2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8639 1.6885 -2.5195 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9980 0.4914 1.8269 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0868 -0.8880 -1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1868 -4.0209 0.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3765 -4.9670 0.9133 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4040 -3.5900 0.8314 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0742 -0.2528 -0.6029 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4119 -0.5755 0.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0582 -2.2499 -0.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6351 -1.6141 1.5464 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6104 0.8773 -2.7345 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2405 3.2202 -3.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8944 4.7216 -1.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2663 1.5330 1.4827 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2699 4.8514 0.8830 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 2 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 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 16 19 1 0 15 20 1 0 20 21 2 0 20 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 14 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 34 36 1 0 9 4 1 0 12 7 1 0 17 13 1 0 27 22 1 0 35 30 1 0 1 37 1 0 1 38 1 0 1 39 1 0 2 40 1 0 2 41 1 0 5 42 1 0 6 43 1 0 9 44 1 0 14 45 1 6 23 46 1 0 24 47 1 0 25 48 1 0 27 49 1 0 29 50 1 0 29 51 1 0 29 52 1 0 31 53 1 0 32 54 1 0 33 55 1 0 35 56 1 0 36 57 1 0 M CHG 1 19 -1 M END