HMDB0001937 RDKit 3D Salbutamol 38 38 0 0 0 0 0 0 0 0999 V2000 -4.0128 0.6562 0.7762 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9633 -0.3847 0.4251 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2048 -1.5498 1.3657 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2450 -0.8422 -0.9681 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6337 0.0636 0.6596 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1840 1.1682 -0.0867 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2231 1.5309 0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5567 2.6788 -0.5033 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2394 0.4980 0.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9498 -0.7908 -0.3168 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9819 -1.7130 -0.5248 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2956 -1.3062 -0.3864 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3573 -2.1742 -0.5797 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6014 -0.0066 -0.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0139 0.4108 0.0963 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0635 1.7628 0.4417 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5802 0.8847 0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9814 0.1116 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7446 1.0539 1.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1338 1.4155 0.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7952 -2.5030 0.9688 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6971 -1.2814 2.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2952 -1.6773 1.5332 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3658 -0.8615 -1.0871 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9012 -0.1255 -1.7482 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8865 -1.8465 -1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4440 0.0795 1.6753 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8551 2.0495 -0.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1459 0.8334 -1.1692 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3233 1.8621 1.3274 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2062 3.0249 -0.9926 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0748 -1.1567 -0.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7346 -2.7289 -0.7902 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1507 -3.1158 -0.8242 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5941 0.2800 -0.8345 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4830 -0.1520 0.9433 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7943 1.9362 1.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8279 1.9156 0.4233 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 2 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 14 17 2 0 17 9 1 0 1 18 1 0 1 19 1 0 1 20 1 0 3 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 4 25 1 0 4 26 1 0 5 27 1 0 6 28 1 0 6 29 1 0 7 30 1 0 8 31 1 0 10 32 1 0 11 33 1 0 13 34 1 0 15 35 1 0 15 36 1 0 16 37 1 0 17 38 1 0 M END