HMDB0031785 RDKit 3D Robenidine 35 36 0 0 0 0 0 0 0 0999 V2000 -1.3315 -2.5068 0.0768 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4155 -1.8551 0.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7951 -0.6556 1.3733 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7529 -0.7255 2.3102 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9574 -0.4020 2.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5650 0.1274 1.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9406 0.4250 1.1452 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6702 0.9388 0.1025 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0822 1.1872 -1.1091 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0674 1.8422 -2.3967 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.7451 0.9039 -1.2375 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0028 0.3808 -0.1758 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9056 -2.3291 0.6725 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0351 -1.5350 0.5210 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3134 -0.8348 -0.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5111 -0.0220 -0.6083 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7374 0.6992 -1.7403 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8800 1.4929 -1.8746 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8108 1.5672 -0.8628 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2208 2.5760 -1.0862 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.5779 0.8390 0.2747 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4502 0.0589 0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1688 -3.3891 -0.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2443 0.2109 1.0841 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6150 -0.5363 3.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4586 0.2513 2.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7255 1.1559 0.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2673 1.0919 -2.1793 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9725 0.1857 -0.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0839 -3.3686 0.7812 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6248 -0.8498 -1.3321 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0097 0.6505 -2.5501 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0649 2.0673 -2.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2828 0.8701 1.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2695 -0.5125 1.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 2 0 2 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 2 0 12 6 1 0 22 16 1 0 1 23 1 0 3 24 1 0 5 25 1 0 7 26 1 0 8 27 1 0 11 28 1 0 12 29 1 0 13 30 1 0 15 31 1 0 17 32 1 0 18 33 1 0 21 34 1 0 22 35 1 0 M END