HMDB0033240 RDKit 3D Grevilline B 37 39 0 0 0 0 0 0 0 0999 V2000 1.5533 1.1972 -4.9014 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0740 0.9263 -3.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2960 0.9872 -3.5643 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8432 0.6914 -2.3079 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1253 0.7479 -2.1108 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8267 0.4593 -0.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5864 1.4498 -0.2317 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3072 1.1805 0.9078 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3287 -0.0695 1.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0643 -0.3219 2.6459 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5875 -1.0522 0.8793 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6015 -2.3196 1.4615 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8590 -0.7842 -0.2712 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0495 0.3237 -1.2173 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3628 0.0511 -0.0625 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5059 0.2608 -1.4314 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3678 -0.1028 -0.3124 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5564 0.5639 -0.1252 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4033 0.2325 0.9313 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0855 -0.7697 1.8246 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9195 -1.1175 2.8897 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8871 -1.4271 1.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0397 -1.1164 0.5856 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9492 0.5508 -2.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3010 0.5059 -2.8919 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7229 1.0490 -2.9951 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5993 2.4440 -0.6561 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9055 1.9537 1.4116 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6092 0.4018 3.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0481 -3.0469 1.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3050 -1.6006 -0.7326 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8211 1.3531 -0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3187 0.7775 1.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6368 -1.8372 2.7573 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6431 -2.2225 2.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1148 -1.6615 0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7520 1.3420 -3.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 9 10 1 0 9 11 1 0 11 12 1 0 11 13 2 0 4 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 2 0 16 24 2 0 24 25 1 0 24 2 1 0 13 6 1 0 23 17 1 0 5 26 1 0 7 27 1 0 8 28 1 0 10 29 1 0 12 30 1 0 13 31 1 0 18 32 1 0 19 33 1 0 21 34 1 0 22 35 1 0 23 36 1 0 25 37 1 0 M END