HMDB0039311 RDKit 3D Neocretanin 53 55 0 0 0 0 0 0 0 0999 V2000 8.4920 -2.2289 0.2796 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6059 -2.1900 -0.5861 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2693 -1.6546 -0.3632 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3304 -1.6396 -1.3644 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0345 -1.1298 -1.1797 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1886 -1.1801 -2.2756 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6577 -0.6134 0.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3783 -0.1085 0.2255 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0144 1.2500 -0.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1299 1.2388 -1.0831 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1850 1.0427 -0.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4173 -0.3811 -0.3664 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7796 -0.6446 -0.0793 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7918 -0.5300 -0.9843 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5589 -0.1725 -2.1602 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1570 -0.8215 -0.5959 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2224 -0.7228 -1.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5127 -1.0023 -1.0878 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5850 -0.9069 -1.9523 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7723 -1.3959 0.2053 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0821 -1.6898 0.6288 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7204 -1.4955 1.0751 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9447 -1.8909 2.3919 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4328 -1.2140 0.6853 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7668 2.0102 0.1826 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6583 2.9066 -0.3796 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3218 2.7642 0.9195 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7459 3.7960 0.0833 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4994 1.8571 1.2143 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5245 2.6768 1.7468 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5992 -0.6293 1.0564 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3214 -0.1414 2.3262 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8927 -1.1434 0.8551 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8465 -2.5831 -1.5779 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6256 -2.0453 -2.3337 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2401 -0.8716 -2.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9739 1.7314 -0.3534 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7421 1.2386 -1.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1257 -0.5183 0.6095 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0259 -1.1164 -1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0081 -0.4135 -2.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5113 -0.6285 -2.9204 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2402 -1.9718 1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1959 -1.9751 3.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6392 -1.3075 1.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3276 1.4210 0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4288 3.8509 -0.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 3.1764 1.8708 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7368 4.6708 0.5099 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2513 1.0966 1.9779 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8868 3.1611 0.9496 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 0.2125 2.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6147 -1.1436 1.6626 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 5 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 2 0 14 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 18 20 2 0 20 21 1 0 20 22 1 0 22 23 1 0 22 24 2 0 11 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 7 31 1 0 31 32 1 0 31 33 2 0 33 3 1 0 29 9 1 0 24 16 1 0 2 34 1 0 4 35 1 0 6 36 1 0 9 37 1 0 11 38 1 0 12 39 1 0 12 40 1 0 17 41 1 0 19 42 1 0 21 43 1 0 23 44 1 0 24 45 1 0 25 46 1 0 26 47 1 0 27 48 1 0 28 49 1 0 29 50 1 0 30 51 1 0 32 52 1 0 33 53 1 0 M END