HMDB0259654 RDKit 3D N-((1S,2S)-2-(Bis(carboxymethyl)amino)cyclohexyl)-N-((2R)-2-(bis(carboxymethy... 75 76 0 0 0 0 0 0 0 0999 V2000 -0.9162 -3.3639 4.3161 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1698 -3.3837 3.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0736 -4.5827 2.4094 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5739 -2.1372 2.3555 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8938 -2.4104 1.0019 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0765 -3.1218 0.7405 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1853 -3.5915 -0.6443 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2802 -3.9887 -1.1548 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0889 -3.6412 -1.5098 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7149 -1.2379 0.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6162 -0.1935 0.6651 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7014 1.0972 0.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9967 2.1869 0.4387 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0854 3.4221 -0.1913 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9054 3.5796 -1.2736 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0435 4.8220 -1.9851 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2202 5.8862 -1.3362 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6512 7.3903 -0.9790 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.6338 2.4965 -1.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5284 1.2733 -1.0763 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3013 -0.9882 -0.1481 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0725 0.0923 -1.0199 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4237 -0.2007 -2.3552 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2164 -1.3302 -3.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0124 -2.1203 -2.5526 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0765 -1.5764 -4.4172 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4426 0.3565 -1.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7658 1.3652 -2.2011 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3628 2.7577 -1.7931 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1018 3.2128 -0.5716 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9026 2.2185 0.5498 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2142 0.8439 0.0833 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4192 -0.1443 1.1146 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5699 0.4122 2.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6459 -0.5249 3.5315 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8804 -0.0488 4.6812 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4740 -1.8672 3.3931 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4850 -1.0301 0.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8368 -0.5024 0.7186 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1068 0.6794 0.9700 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8667 -1.3606 0.3658 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2234 -5.1002 2.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 -1.3870 2.4387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4526 -1.6811 2.9216 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0051 -2.5454 1.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0687 -4.0364 1.4049 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7026 -4.5117 -1.8318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2772 -1.5866 -0.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4169 -0.0441 1.7873 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6914 -0.5845 0.7124 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3461 2.1315 1.2952 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5083 4.2708 0.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2913 2.5716 -2.5626 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1102 0.4206 -1.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1521 -1.9813 -0.4513 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1880 -0.8259 0.8615 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3774 0.6795 -3.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5487 -0.3772 -2.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4591 -2.5183 -4.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9973 -0.5512 -1.4359 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4562 1.1302 -3.1923 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9124 1.4200 -2.2297 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7024 3.4213 -2.6373 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2857 2.8349 -1.6916 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1690 3.4414 -0.7813 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5639 4.1561 -0.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9109 2.3806 0.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6771 2.4825 1.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2626 0.9698 -0.3658 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4800 1.0757 2.4524 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6603 1.0552 2.5884 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7380 -2.5409 4.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5207 -1.9403 1.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -1.4980 -0.2363 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1534 -1.4774 -0.6095 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 7 9 1 0 5 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 2 0 17 18 2 0 15 19 1 0 19 20 2 0 10 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 22 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 33 38 1 0 38 39 1 0 39 40 2 0 39 41 1 0 20 12 1 0 32 27 1 0 3 42 1 0 4 43 1 0 4 44 1 0 6 45 1 0 6 46 1 0 9 47 1 0 10 48 1 0 11 49 1 0 11 50 1 0 13 51 1 0 14 52 1 0 19 53 1 0 20 54 1 0 21 55 1 0 21 56 1 0 23 57 1 0 23 58 1 0 26 59 1 0 27 60 1 0 28 61 1 0 28 62 1 0 29 63 1 0 29 64 1 0 30 65 1 0 30 66 1 0 31 67 1 0 31 68 1 0 32 69 1 0 34 70 1 0 34 71 1 0 37 72 1 0 38 73 1 0 38 74 1 0 41 75 1 0 M END