HMDB0014436 RDKit 3D Chlorambucil 38 38 0 0 0 0 0 0 0 0999 V2000 6.8313 0.2804 -1.0320 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6005 0.1289 -0.9806 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9386 -0.7806 -1.8175 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8224 0.9345 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3717 0.5923 -0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4748 1.3472 0.8082 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0812 0.8671 0.5204 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6142 -0.2219 1.2193 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6705 -0.6876 0.9712 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4911 -0.0855 0.0411 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8281 -0.5454 -0.2377 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9081 0.0067 0.5082 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4230 1.0751 1.4907 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7812 1.7500 2.4083 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.9816 -1.5269 -1.2504 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3912 -2.8565 -0.7331 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9576 -2.8856 0.0801 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9901 1.0072 -0.6437 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2851 1.4898 -0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3126 -0.9256 -2.7486 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1294 0.7536 1.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9789 2.0323 -0.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2526 -0.4976 0.1271 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9940 0.7817 -1.1704 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7266 1.0941 1.8597 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5464 2.4407 0.6625 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1743 -0.7632 1.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0643 -1.5402 1.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6428 0.5635 -0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5254 -0.7153 1.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6991 0.6708 2.2029 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9379 1.9104 0.9475 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8125 -1.1443 -1.9348 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0986 -1.5871 -1.9374 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4184 -3.5504 -1.6199 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5946 -3.2714 -0.0715 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6024 1.5114 -1.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6838 2.3474 -0.9489 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 11 15 1 0 15 16 1 0 16 17 1 0 10 18 1 0 18 19 2 0 19 7 1 0 3 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 5 24 1 0 6 25 1 0 6 26 1 0 8 27 1 0 9 28 1 0 12 29 1 0 12 30 1 0 13 31 1 0 13 32 1 0 15 33 1 0 15 34 1 0 16 35 1 0 16 36 1 0 18 37 1 0 19 38 1 0 M END