HMDB0248945 RDKit 3D Bendamustine 44 45 0 0 0 0 0 0 0 0999 V2000 2.0834 0.1213 -3.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5370 -0.2059 -1.7452 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2216 -0.7984 -0.7512 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6458 -1.2240 -0.7953 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6065 -0.1841 -0.3624 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4973 0.3479 1.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6425 -0.5834 2.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8533 -1.8169 2.0339 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5408 -0.0843 3.3972 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3461 -0.9170 0.2623 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1506 -0.4129 -0.0904 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0877 -0.2676 0.5279 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1506 0.3131 -0.1299 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4382 0.4871 0.4443 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7309 1.6644 1.2097 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9251 1.2932 2.6582 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2818 2.8131 3.5362 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.4631 -0.5169 0.2576 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9487 -1.6746 -0.5848 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2305 -2.8877 -0.7991 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.9910 0.7645 -1.4353 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7810 0.6312 -2.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2603 0.0501 -1.3856 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3370 -0.7859 -3.6233 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9858 0.7951 -2.9651 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3606 0.6917 -3.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7910 -2.2108 -0.3015 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8963 -1.4359 -1.8812 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6369 -0.6434 -0.4692 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6075 0.6254 -1.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4892 0.8412 1.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2274 1.1849 1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1794 0.8366 3.6044 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2330 -0.6113 1.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6797 2.1265 0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9335 2.4314 1.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9847 0.8947 3.0982 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7795 0.5818 2.7612 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3884 -0.1104 -0.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7048 -0.9237 1.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0780 -2.0954 -0.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5949 -1.3082 -1.5615 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8252 1.2210 -1.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 0.9823 -3.0672 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 1 0 7 8 2 0 7 9 1 0 3 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 14 18 1 0 18 19 1 0 19 20 1 0 13 21 2 0 21 22 1 0 22 23 2 0 23 2 1 0 23 11 1 0 1 24 1 0 1 25 1 0 1 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 5 30 1 0 6 31 1 0 6 32 1 0 9 33 1 0 12 34 1 0 15 35 1 0 15 36 1 0 16 37 1 0 16 38 1 0 18 39 1 0 18 40 1 0 19 41 1 0 19 42 1 0 21 43 1 0 22 44 1 0 M END