HMDB0255627 RDKit 3D Nirtetralin 61 64 0 0 0 0 0 0 0 0999 V2000 -4.3668 -3.0096 -3.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8141 -2.1127 -2.4774 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4227 -2.1514 -2.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9310 -1.1605 -1.4969 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3942 -1.4069 -0.0797 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1698 -0.1208 0.6406 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0033 0.2157 1.6863 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8668 1.3915 2.3954 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8497 2.2374 2.0172 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0082 1.9030 0.9649 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0194 2.8021 0.6120 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3725 3.7841 -0.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1352 0.7397 0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2093 0.4085 -0.8502 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 0.6832 -0.5353 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9723 1.5761 -1.2889 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2833 1.8682 -1.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8871 1.2367 0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2092 1.5313 0.2971 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9805 2.4254 -0.4498 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1894 0.3444 0.8191 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8366 -0.2806 1.9028 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2439 -1.1960 2.7621 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8717 0.0840 0.5202 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4530 -0.9253 -1.4705 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3337 -2.0498 -0.8874 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1261 -3.2066 -1.6374 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8348 -4.2910 -1.1429 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9097 3.3340 2.8589 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9635 3.1810 3.7949 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5653 1.9518 3.4714 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4776 -2.8992 -3.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0419 -2.7016 -4.3886 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1415 -4.0637 -3.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 -1.8214 -3.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0914 -3.1789 -2.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3945 -0.1679 -1.7845 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 -2.2775 0.4064 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5018 -1.6196 -0.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8079 -0.4436 1.9921 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4801 4.0749 -0.9986 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1485 3.3764 -1.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7155 4.6955 0.1867 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4843 1.1579 -1.6641 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4520 2.0565 -2.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7775 2.5758 -1.6795 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4078 3.3527 -0.7371 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8633 2.8012 0.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3706 1.8900 -1.3425 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1709 -1.0853 2.9368 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4400 -2.2619 2.4898 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7325 -1.0736 3.7727 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3390 -0.6125 1.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1118 -0.8496 -2.5487 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4089 -1.8066 -0.9871 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0492 -2.3207 0.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5988 -5.1527 -1.8087 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9408 -4.0750 -1.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5894 -4.5340 -0.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5354 3.1562 4.8229 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6748 4.0212 3.6428 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 10 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 18 21 1 0 21 22 1 0 22 23 1 0 21 24 2 0 14 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 9 29 1 0 29 30 1 0 30 31 1 0 25 4 1 0 13 6 1 0 24 15 1 0 31 8 1 0 1 32 1 0 1 33 1 0 1 34 1 0 3 35 1 0 3 36 1 0 4 37 1 0 5 38 1 0 5 39 1 0 7 40 1 0 12 41 1 0 12 42 1 0 12 43 1 0 14 44 1 0 16 45 1 0 17 46 1 0 20 47 1 0 20 48 1 0 20 49 1 0 23 50 1 0 23 51 1 0 23 52 1 0 24 53 1 0 25 54 1 0 26 55 1 0 26 56 1 0 28 57 1 0 28 58 1 0 28 59 1 0 30 60 1 0 30 61 1 0 M END