HMDB0061159 RDKit 3D N-Carbamoyl glucuronide lorcaserin 56 58 0 0 0 0 0 0 0 0999 V2000 3.7442 2.2378 0.6944 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3894 1.1613 -0.3149 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1495 0.4648 0.1895 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5489 -0.4066 -0.7735 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1411 -0.4525 -0.7968 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4355 -1.2186 -1.6425 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6544 0.3018 0.0632 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0511 0.1866 -0.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6620 1.3908 -0.3788 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9479 1.0864 -0.8114 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9912 0.8420 -2.2764 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9109 0.9357 -2.9162 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1461 0.5249 -2.9357 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5534 -0.0725 -0.0392 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.0570 0.0179 -0.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0268 0.0319 1.3872 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7301 -0.9224 2.3185 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5480 -0.2913 1.3231 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8408 0.5331 2.3779 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2094 -1.2549 -1.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2876 -2.0220 -0.9604 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4677 -1.1171 -0.7249 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6658 -1.7958 -0.8074 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8714 -1.1543 -0.6238 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9313 0.1960 -0.3492 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4750 1.0152 -0.1146 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.7341 0.8812 -0.2654 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5206 0.2335 -0.4506 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4468 1.8753 1.4713 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1778 3.1353 0.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8271 2.5868 1.2404 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2044 1.6680 -1.2731 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4165 1.2825 0.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3727 -0.0764 1.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2990 -0.5303 -0.8351 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5863 1.9710 -0.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3179 -0.3325 -3.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2799 -1.0539 -0.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3927 -0.2037 -1.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4394 0.9747 0.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4380 -0.8273 0.5605 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1568 1.0822 1.6967 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6601 -1.9435 1.9112 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1964 -0.9107 3.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7582 -0.5720 2.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4070 -1.3669 1.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7226 -0.0537 3.3062 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8643 0.8441 1.9697 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4634 1.4366 2.6244 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5445 -1.9152 -2.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7829 -0.5602 -2.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5881 -2.8885 -1.5785 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8190 -2.3099 0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6090 -2.8618 -1.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8076 -1.7208 -0.6956 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8049 1.9380 -0.0495 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 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 10 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 4 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 25 27 1 0 27 28 2 0 28 2 1 0 18 8 1 0 28 22 1 0 1 29 1 0 1 30 1 0 1 31 1 0 2 32 1 0 3 33 1 0 3 34 1 0 8 35 1 0 10 36 1 6 13 37 1 0 14 38 1 6 15 39 1 0 15 40 1 0 15 41 1 0 16 42 1 1 17 43 1 0 17 44 1 0 17 45 1 0 18 46 1 1 19 47 1 0 19 48 1 0 19 49 1 0 20 50 1 0 20 51 1 0 21 52 1 0 21 53 1 0 23 54 1 0 24 55 1 0 27 56 1 0 M END