HMDB0258098 RDKit 3D Tert-butyl 4-[4-[(2-chloro-5-nitrobenzoyl)amino]phenyl]piperazine-1-carboxylate 57 59 0 0 0 0 0 0 0 0999 V2000 -6.2685 2.4848 0.7032 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5673 1.3650 -0.2347 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0483 1.9457 -1.5571 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6257 0.4179 0.2295 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4092 0.5886 -0.5141 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7188 -0.0657 0.5121 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1603 0.0542 1.6808 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5867 -0.8108 0.1933 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1063 -0.9057 -1.1444 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6853 -1.4038 -1.2182 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8964 -1.1795 -0.0580 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5173 -1.3227 -0.1255 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1319 -2.4767 -0.5319 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5075 -2.5792 -0.6246 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3331 -1.5250 -0.3121 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7133 -1.4260 -0.3864 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0257 -1.3318 -0.4571 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8661 -1.9802 -1.1563 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7019 -0.3113 0.4039 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9276 0.9535 -0.0681 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5456 1.9125 0.7119 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7596 3.2012 0.1898 N 0 0 0 0 0 4 0 0 0 0 0 0 7.4158 3.4574 -0.9796 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3501 4.1521 1.0007 O 0 0 0 0 0 1 0 0 0 0 0 0 7.9313 1.5660 1.9807 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7034 0.2917 2.4547 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0794 -0.6660 1.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7805 -2.2944 2.2443 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.6652 -0.3329 0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3089 -0.2416 0.1987 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4781 -0.8184 1.2095 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8584 -1.4985 1.2372 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5212 2.2409 1.7535 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1577 2.6915 0.6079 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7564 3.4137 0.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5356 2.8957 -1.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1353 2.2069 -1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9521 1.2129 -2.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5630 0.9505 0.5574 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3517 -0.2270 1.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8720 -0.2706 -0.6196 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7453 -1.6625 -1.6797 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1792 0.0247 -1.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6681 -2.4767 -1.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1718 -0.8740 -2.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4859 -3.3221 -0.7914 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9297 -3.5189 -0.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7323 -2.2800 -1.4744 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5940 1.1679 -1.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4282 2.2842 2.6552 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0127 0.0306 3.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2980 0.4967 0.3587 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7991 0.6765 0.5216 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8702 -1.1107 2.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6990 0.2693 1.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6451 -2.5623 0.9612 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3111 -1.4776 2.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 21 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 15 29 1 0 29 30 2 0 11 31 1 0 31 32 1 0 32 8 1 0 30 12 1 0 27 19 1 0 1 33 1 0 1 34 1 0 1 35 1 0 3 36 1 0 3 37 1 0 3 38 1 0 4 39 1 0 4 40 1 0 4 41 1 0 9 42 1 0 9 43 1 0 10 44 1 0 10 45 1 0 13 46 1 0 14 47 1 0 16 48 1 0 20 49 1 0 25 50 1 0 26 51 1 0 29 52 1 0 30 53 1 0 31 54 1 0 31 55 1 0 32 56 1 0 32 57 1 0 M CHG 2 22 1 24 -1 M END