HMDB0247517 RDKit 3D N-(2-(Methylamino)ethyl)-5-isoquinolinesulfonamide 33 34 0 0 0 0 0 0 0 0999 V2000 3.0689 1.7904 0.9677 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7768 2.1617 -0.3851 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1763 1.1480 -1.3362 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3466 -0.1085 -1.2417 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9482 0.1065 -1.4905 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1124 -1.3703 -1.3609 S 0 0 0 0 0 6 0 0 0 0 0 0 -0.7497 -1.6189 -2.5869 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1105 -2.5057 -1.2296 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9593 -1.4555 0.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8239 -2.4103 0.9905 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6534 -2.5112 2.0848 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6807 -1.5999 2.2073 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8573 -0.6205 1.2506 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8969 0.2678 1.4103 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1067 1.2481 0.4846 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2651 1.3162 -0.5855 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2287 0.4410 -0.7568 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9962 -0.5643 0.1716 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6861 2.5622 1.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6307 0.8332 1.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1253 1.7131 1.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3754 3.0058 -0.6366 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1459 1.5444 -2.3865 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2300 0.8793 -1.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7184 -0.8734 -1.9484 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5299 -0.5308 -0.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7431 0.5317 -2.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0025 -3.1172 0.8651 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5263 -3.2763 2.8424 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3161 -1.6883 3.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5845 0.2374 2.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4831 2.1254 -1.2923 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5945 0.5396 -1.6243 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 1 0 5 6 1 0 6 7 2 0 6 8 2 0 6 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 9 1 0 18 13 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 3 23 1 0 3 24 1 0 4 25 1 0 4 26 1 0 5 27 1 0 10 28 1 0 11 29 1 0 12 30 1 0 14 31 1 0 16 32 1 0 17 33 1 0 M END