HMDB0030162 RDKit 3D Nevskin 61 64 0 0 0 0 0 0 0 0999 V2000 0.9246 2.5557 0.3262 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3545 1.7271 0.5583 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2867 1.3148 1.8642 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4902 2.6915 0.2974 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7462 2.0644 -0.1936 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6889 0.5873 0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0350 -0.0323 0.0516 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9116 0.7321 1.0636 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7491 0.0630 -1.2499 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9476 -1.4362 0.5933 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1301 -2.1272 0.5057 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8684 -2.1866 -0.1016 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5266 -1.5371 -0.0902 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6056 -0.1122 -0.6347 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8832 -0.2480 -2.1173 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3095 0.6199 -0.4662 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8709 -0.2682 -0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0996 0.4301 -0.3190 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3232 -0.1585 -0.1457 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -1.5051 0.1274 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6639 -2.0867 0.3009 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8047 -1.3266 0.2005 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0254 -1.9318 0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1748 -1.1775 0.2781 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0162 0.1657 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0925 0.8480 -0.0857 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8423 0.7078 -0.1596 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7395 0.0259 -0.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4856 0.5753 -0.2399 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2365 2.5541 -0.7166 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7158 2.2696 1.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7115 3.6402 0.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1530 0.3706 2.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6319 3.2699 1.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1719 3.4405 -0.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5943 2.4837 0.4142 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9884 2.2701 -1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3876 0.5355 1.2059 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4250 1.5756 0.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3362 1.0637 1.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7304 0.0311 1.3596 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8502 -0.0728 -1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5090 -0.6959 -1.9896 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6745 1.1109 -1.6058 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6472 -1.3292 1.6772 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4189 -2.4444 1.3962 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2367 -2.4725 -1.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7524 -3.1694 0.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8557 -2.1395 -0.7384 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1734 -1.5331 0.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5291 0.5516 -2.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2193 -1.2729 -2.3973 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9088 -0.1280 -2.6829 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0686 1.1677 -1.4326 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9585 -1.0862 -0.9819 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8764 -0.7888 0.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4914 -2.0551 0.1961 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6959 -3.1368 0.5126 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0546 -2.9853 0.5891 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1541 -1.6303 0.4131 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4341 1.6310 -0.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 7 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 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 25 27 1 0 27 28 1 0 28 29 2 0 16 2 1 0 29 19 1 0 14 6 1 0 28 22 1 0 1 30 1 0 1 31 1 0 1 32 1 0 3 33 1 0 4 34 1 0 4 35 1 0 5 36 1 0 5 37 1 0 6 38 1 0 8 39 1 0 8 40 1 0 8 41 1 0 9 42 1 0 9 43 1 0 9 44 1 0 10 45 1 0 11 46 1 0 12 47 1 0 12 48 1 0 13 49 1 0 13 50 1 0 15 51 1 0 15 52 1 0 15 53 1 0 16 54 1 0 17 55 1 0 17 56 1 0 20 57 1 0 21 58 1 0 23 59 1 0 24 60 1 0 29 61 1 0 M END