HMDB0254827 RDKit 3D Mofarotene 71 74 0 0 0 0 0 0 0 0999 V2000 -0.7595 -1.0798 1.3281 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0998 0.0281 0.3789 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 0.7030 -0.1515 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2970 0.5077 0.0646 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1493 1.5757 0.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4920 1.3569 0.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0381 0.1051 0.4171 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4016 -0.1455 0.5861 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3058 0.9321 0.8477 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6975 0.3553 0.9808 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0502 -0.3083 -0.2332 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2394 0.5487 -1.3608 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2196 -0.3608 -2.5984 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2099 -1.3068 -2.4911 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9793 -1.1894 -1.3373 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1517 -1.2336 -0.0803 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2096 -0.9502 0.1676 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8442 -0.7469 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5089 0.2643 0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8898 1.3028 -0.6953 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2431 1.5568 -0.9794 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2255 0.7509 -0.4285 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8675 -0.2925 0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5131 -0.5071 0.6468 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9119 -1.1673 0.9923 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4241 -1.8352 2.2612 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3598 -2.2432 0.0411 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0531 -0.2451 1.3814 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6287 0.4822 0.2144 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6472 1.0479 -0.7514 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9716 0.5856 -2.1781 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8465 2.5693 -0.7768 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2401 -0.9511 1.7965 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5465 -1.0612 2.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8957 -2.0224 0.7747 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3620 1.5200 -0.8486 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6994 2.5592 0.3726 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1562 2.1887 0.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0158 1.3640 1.8473 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2142 1.7011 0.0816 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7016 -0.3934 1.8027 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4102 1.1947 1.2101 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3901 1.2299 -1.4945 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1996 1.1059 -1.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2237 0.2170 -3.5301 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2386 -0.9138 -2.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6650 -0.3226 -1.3683 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6389 -2.1064 -1.3223 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7195 -2.2521 0.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7983 -0.9564 0.7668 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5994 -1.9723 0.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2362 -1.6185 -0.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1972 1.9879 -1.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4811 2.3890 -1.6309 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2767 -1.3285 1.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3244 -2.2559 2.7751 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6671 -2.6195 2.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0096 -1.0682 2.9359 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3606 -3.2373 0.5333 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4149 -2.0832 -0.3002 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7098 -2.2927 -0.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6422 0.4748 2.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8746 -0.7887 1.8856 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3187 -0.2199 -0.3325 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3199 1.2678 0.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3083 -0.2356 -2.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7905 1.4163 -2.9095 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0429 0.3428 -2.1892 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4608 2.9127 -1.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3954 3.0521 0.0925 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9648 2.7148 -0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 3 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 7 17 1 0 17 18 2 0 2 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 18 4 1 0 24 19 1 0 16 11 1 0 30 22 1 0 1 33 1 0 1 34 1 0 1 35 1 0 3 36 1 0 5 37 1 0 6 38 1 0 9 39 1 0 9 40 1 0 10 41 1 0 10 42 1 0 12 43 1 0 12 44 1 0 13 45 1 0 13 46 1 0 15 47 1 0 15 48 1 0 16 49 1 0 16 50 1 0 17 51 1 0 18 52 1 0 20 53 1 0 21 54 1 0 24 55 1 0 26 56 1 0 26 57 1 0 26 58 1 0 27 59 1 0 27 60 1 0 27 61 1 0 28 62 1 0 28 63 1 0 29 64 1 0 29 65 1 0 31 66 1 0 31 67 1 0 31 68 1 0 32 69 1 0 32 70 1 0 32 71 1 0 M END