RDKit 3D 80 85 0 0 0 0 0 0 0 0999 V2000 -4.2774 3.2157 -3.5096 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7956 2.2165 -2.5093 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3504 1.1213 -2.9065 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8230 2.4578 -1.1502 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3502 1.4750 -0.1896 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2067 2.0202 0.5961 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3589 2.1123 1.8315 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9671 2.4375 -0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1308 1.6431 -0.6304 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1264 0.2460 -0.8984 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4802 -0.0974 -2.0981 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2268 -0.9031 -0.0324 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5630 -0.2959 1.3025 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3163 -0.1826 2.3692 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8059 0.1048 1.2829 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4174 -0.1864 -0.0045 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9111 -0.4370 0.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6769 0.7951 0.3927 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3642 1.5402 -0.5733 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9403 2.6055 -0.0138 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6700 2.6121 1.2985 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0431 3.4960 2.2886 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6349 3.2742 3.5797 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8600 2.1637 3.8352 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4745 1.2598 2.8417 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8838 1.4884 1.5624 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6389 -1.4120 -0.2955 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8918 -2.2793 -1.4015 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8314 -1.8106 -2.7966 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0339 -3.5407 -1.1550 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2948 -4.7628 -1.9647 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1785 -3.8199 0.3242 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0117 -3.4264 -0.2286 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6470 -2.0655 0.0250 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7266 -2.0606 -1.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0181 -2.0897 -0.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7412 -2.1346 0.4909 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4973 -0.8664 1.2562 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2774 -1.3153 2.7139 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6112 0.0788 1.3134 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5470 1.2117 0.6331 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7109 2.1876 0.7033 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7018 2.7554 -4.4051 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4023 3.8462 -3.8298 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0066 3.8955 -3.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0341 0.6465 -0.8393 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6539 3.5224 0.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7331 2.2350 -1.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0067 -0.2109 3.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2922 0.5591 -0.7717 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3214 -0.9045 -0.7894 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0313 -1.0899 1.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4279 1.2996 -1.6238 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5208 3.3438 -0.4929 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6528 4.3662 2.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9341 3.9753 4.3475 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5285 1.9709 4.8456 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8796 0.3990 3.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8178 -2.0570 0.6394 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9402 -2.7025 -1.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0645 -0.7349 -2.8669 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8916 -2.1005 -3.3499 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6305 -2.2939 -3.4407 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7795 -4.6708 -2.9364 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8076 -5.6193 -1.4362 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3634 -5.0248 -2.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7779 -4.2335 -0.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1243 -2.2262 1.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4257 -2.0629 -2.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6799 -2.0794 -1.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8347 -2.2072 0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4865 -3.0517 1.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5518 -0.4213 0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3202 -1.4926 3.1094 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7667 -2.2783 2.7834 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8667 -0.5085 3.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4808 -0.1853 1.9292 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3080 3.1640 0.3874 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5354 1.8102 0.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0458 2.2893 1.7529 H 0 0 0 0 0 0 0 0 0 0 0 0 29 28 1 0 28 27 1 0 27 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 16 15 1 0 15 13 2 0 13 14 1 0 12 13 1 1 12 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 1 0 38 40 1 0 40 41 2 0 41 42 1 0 41 5 1 0 5 4 1 0 4 2 1 0 2 1 1 0 2 3 2 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 34 33 1 0 33 32 1 0 32 30 1 0 30 31 1 6 30 28 1 0 12 27 1 0 10 12 1 0 30 33 1 0 26 18 1 0 26 21 1 0 29 61 1 0 29 62 1 0 29 63 1 0 28 60 1 1 27 59 1 1 16 50 1 6 17 51 1 0 17 52 1 0 19 53 1 0 20 54 1 0 22 55 1 0 23 56 1 0 24 57 1 0 25 58 1 0 14 49 1 0 34 68 1 1 35 69 1 0 36 70 1 0 37 71 1 0 37 72 1 0 38 73 1 6 39 74 1 0 39 75 1 0 39 76 1 0 40 77 1 0 42 78 1 0 42 79 1 0 42 80 1 0 5 46 1 6 1 43 1 0 1 44 1 0 1 45 1 0 8 47 1 0 9 48 1 0 33 67 1 6 31 64 1 0 31 65 1 0 31 66 1 0 M END