RDKit 3D 40 41 0 0 0 0 0 0 0 0999 V2000 4.7410 1.6506 -0.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4379 1.2332 -0.4702 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1187 -0.0221 -0.9685 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0693 -0.8373 -1.1312 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7374 -0.3890 -1.2937 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1109 -1.3616 -0.3090 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9494 -2.6143 -0.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0114 -2.6885 0.6732 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1270 -1.9511 1.7512 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0871 -0.9599 1.9795 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1529 -0.2306 2.9973 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9618 -0.8080 1.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1351 -0.1709 1.3824 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1561 0.3162 2.7040 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2806 0.0431 0.4993 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3208 0.6893 0.9629 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5444 0.9760 0.1823 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5768 1.6680 0.7694 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7153 1.9432 0.0618 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8551 1.5379 -1.2446 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8344 0.8480 -1.8408 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6743 0.5696 -1.1143 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2464 0.9103 0.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6404 2.5729 0.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3326 1.9495 -1.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6737 -0.8742 -2.2922 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1487 0.5444 -1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0993 -1.5936 -0.7611 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4495 -2.6675 -1.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3071 -3.5301 -0.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7985 -3.4381 0.4996 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9674 -2.1011 2.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0326 1.2856 2.9114 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3173 -0.2926 -0.5023 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2715 1.0394 2.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4577 1.9847 1.8016 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5248 2.4915 0.5391 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7535 1.7524 -1.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8874 0.4988 -2.8786 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8956 0.0258 -1.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 12 6 1 0 22 17 1 0 1 23 1 0 1 24 1 0 1 25 1 0 5 26 1 0 5 27 1 0 6 28 1 6 7 29 1 0 7 30 1 0 8 31 1 0 9 32 1 0 14 33 1 0 15 34 1 0 16 35 1 0 18 36 1 0 19 37 1 0 20 38 1 0 21 39 1 0 22 40 1 0 M END