HMDB0014854 RDKit 3D Nedocromil 44 46 0 0 0 0 0 0 0 0999 V2000 1.4687 1.2591 2.5955 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0858 1.4279 2.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1748 1.4287 0.6238 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1494 0.2392 -0.1196 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4953 -0.0466 -0.4541 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3513 0.9211 -0.1650 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6370 0.8030 -0.4215 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5935 1.8535 -0.1125 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2694 2.9455 0.4192 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9293 1.6739 -0.4045 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1203 -0.3492 -1.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2472 -1.3668 -1.3129 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6130 -2.4446 -1.8447 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9135 -1.2040 -1.0296 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9939 -2.1567 -1.3096 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3332 -1.9358 -1.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2357 -2.9335 -1.3184 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8131 -4.0180 -1.8551 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5303 -2.7522 -1.0505 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9888 -1.5558 -0.4627 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4091 -1.4591 -0.2281 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1489 -2.4766 -0.5615 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1165 -0.4488 0.2979 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0900 -0.5555 -0.1551 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5626 0.6844 0.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0062 1.6553 -0.7384 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7829 -0.7386 -0.4172 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0986 2.0821 2.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5168 1.4437 3.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9660 0.3056 2.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5146 0.5581 2.5366 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3532 2.3392 2.5653 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7743 2.2418 0.2533 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7951 2.0765 0.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5086 0.9435 -0.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1873 -0.4828 -1.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2701 -3.1149 -1.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2453 -3.5056 -1.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8851 -0.5712 0.9252 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6186 0.3814 0.6851 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3671 1.0700 1.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1023 2.6422 -0.2485 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9227 1.3893 -1.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2347 1.7512 -1.5527 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 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 7 11 2 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 21 23 1 0 20 24 1 0 24 25 1 0 25 26 1 0 24 27 1 0 27 4 1 0 14 5 1 0 27 16 2 0 1 28 1 0 1 29 1 0 1 30 1 0 2 31 1 0 2 32 1 0 3 33 1 0 3 34 1 0 10 35 1 0 11 36 1 0 15 37 1 0 19 38 1 0 23 39 1 0 25 40 1 0 25 41 1 0 26 42 1 0 26 43 1 0 26 44 1 0 M END