HMDB0255678 RDKit 3D Noberastine 44 47 0 0 0 0 0 0 0 0999 V2000 5.5087 -1.9464 0.7279 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0245 -1.7656 0.8885 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0850 -2.7014 0.5343 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8579 -2.1369 0.8473 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1100 -0.8848 1.3767 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0691 0.0704 1.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6512 0.9287 0.7687 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3478 0.6783 -0.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2045 -0.4738 -0.0983 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2487 -0.6132 -1.0754 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2690 0.4926 -1.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3851 0.2091 -0.0379 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0199 -1.0277 -0.4569 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0768 -2.0960 -0.1955 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8366 -1.9785 -1.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4050 1.7215 -0.9242 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5524 2.6187 -0.6079 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9273 3.8432 -1.1424 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9826 4.4935 -0.5383 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6609 3.9807 0.5517 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2758 2.7923 1.0482 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2398 2.1211 0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3990 -0.7417 1.3675 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8179 -1.6283 -0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0439 -1.3041 1.4568 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7066 -3.0229 0.9232 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2620 -3.6893 0.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9055 -2.5829 0.7064 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2267 -0.5395 2.2453 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5010 0.6643 2.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0749 -1.2312 0.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7453 -0.5063 -2.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7286 0.6470 -2.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7556 1.4262 -0.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0913 1.0459 -0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9480 0.1031 0.9736 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2226 -0.9845 -1.4808 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5699 -3.0653 -0.4585 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8558 -2.1015 0.8751 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0919 -2.7048 -0.6131 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0838 -2.3330 -2.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3882 4.2142 -1.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2730 5.4525 -0.9603 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4920 4.5565 0.9793 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 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 1 0 8 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 5 23 1 0 23 2 1 0 22 7 1 0 15 10 1 0 22 17 1 0 1 24 1 0 1 25 1 0 1 26 1 0 3 27 1 0 4 28 1 0 6 29 1 0 6 30 1 0 9 31 1 0 10 32 1 0 11 33 1 0 11 34 1 0 12 35 1 0 12 36 1 0 13 37 1 0 14 38 1 0 14 39 1 0 15 40 1 0 15 41 1 0 18 42 1 0 19 43 1 0 20 44 1 0 M END