HMDB0256810 RDKit 3D Propamidine 43 44 0 0 0 0 0 0 0 0999 V2000 7.6570 -1.0672 0.1714 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8527 -0.0887 0.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3570 1.2563 0.0808 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4442 -0.2424 -0.2211 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8589 -1.4813 -0.3004 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5251 -1.6802 -0.5244 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6682 -0.5704 -0.6886 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3388 -0.8068 -0.9160 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3551 0.1352 -1.0458 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 0.8645 0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3202 -0.2318 1.2411 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4515 -0.8802 0.8505 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7335 -0.5313 0.6463 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6028 -1.5411 0.2089 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9139 -1.2889 -0.0231 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4787 -0.0467 0.1501 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8765 0.2342 -0.0947 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6711 -0.6736 -0.4914 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3624 1.5431 0.1124 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6213 0.9532 0.5829 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2677 0.7032 0.8252 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2657 0.6570 -0.6088 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6201 0.8519 -0.3805 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4050 -2.0563 0.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0774 1.9964 -0.5909 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0249 1.4731 0.8351 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4986 -2.3755 -0.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0712 -2.6710 -0.5855 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6155 -0.3123 -1.3701 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5947 0.9463 -1.7913 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6111 1.6593 0.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0298 1.3342 0.6596 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5627 -0.9276 1.2908 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4241 0.2842 2.2225 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2222 -2.5586 0.0487 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5720 -2.0860 -0.3621 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5026 -1.6588 -0.6913 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3017 1.9526 1.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7658 2.0584 -0.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0383 1.9364 0.7267 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6437 1.5316 1.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6445 1.5556 -0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0281 1.8498 -0.3274 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 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 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 3 17 19 1 0 16 20 1 0 20 21 2 0 7 22 1 0 22 23 2 0 23 4 1 0 21 13 1 0 1 24 1 0 3 25 1 0 3 26 1 0 5 27 1 0 6 28 1 0 9 29 1 0 9 30 1 0 10 31 1 0 10 32 1 0 11 33 1 0 11 34 1 0 14 35 1 0 15 36 1 0 18 37 1 0 19 38 1 0 19 39 1 0 20 40 1 0 21 41 1 0 22 42 1 0 23 43 1 0 M END