HMDB0242378 RDKit 3D Cholylasparagine 83 86 0 0 0 0 0 0 0 0999 V2000 1.5343 -0.9604 -2.7176 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4942 -1.6270 -1.3839 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9216 -1.8427 -0.9274 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7277 -0.6002 -0.7827 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0948 -0.9599 -0.3334 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3723 -2.1847 -0.1517 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1011 0.0314 -0.1016 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4264 -0.2944 0.3307 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4377 0.1026 -0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3877 1.5485 -0.9709 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3995 2.4196 -0.4639 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4183 1.9994 -1.6599 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7567 0.3644 1.6244 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9272 1.0999 2.2071 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9927 0.1862 2.2273 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7647 -0.9126 -0.3226 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8421 -1.7592 0.9462 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5610 -1.7833 1.5227 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1516 -0.5909 0.9155 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6311 -0.4883 0.8735 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3300 -0.7482 2.1746 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6747 -0.0224 3.1614 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7849 -0.4311 2.0614 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0964 0.9230 1.5066 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5714 1.0786 1.3514 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1239 0.4484 0.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4182 0.9250 -0.0829 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3153 0.8105 -1.1256 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8876 0.3185 -0.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3334 1.2086 0.2129 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4988 2.6592 -0.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8783 0.9785 0.5344 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9228 1.5528 -0.4316 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0310 0.6443 -1.1691 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1501 1.3524 -1.4864 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6822 -0.6602 -0.5399 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4189 -1.7780 -1.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1236 -0.0378 -2.7803 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5453 -0.7788 -3.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0451 -1.6849 -3.4204 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1011 -2.6752 -1.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4743 -2.5159 -1.6188 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9527 -2.3840 0.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 0.1083 -0.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8767 -0.0892 -1.7755 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8319 1.0206 -0.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5575 -1.4101 0.4585 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4475 -0.1460 -0.2901 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2905 -0.4873 -1.6423 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0821 3.3366 -0.0869 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3802 2.0905 -0.5005 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5386 -0.6610 2.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2649 0.0488 -0.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5504 -1.3291 1.6821 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0893 -2.8153 0.7116 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0721 -2.7412 1.3449 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5433 -1.6521 2.6339 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6929 0.3152 1.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1199 -1.0770 0.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2279 -1.8211 2.4032 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7605 -0.4533 4.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3008 -1.2593 1.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1960 -0.4384 3.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7433 1.6815 2.2504 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8397 2.1487 1.4431 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0584 0.5661 2.2098 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1299 -0.6447 0.1894 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0799 0.1832 -0.1782 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3390 1.8824 -1.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6981 0.2222 -1.9764 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0454 -0.7260 -0.4434 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3522 0.3136 -1.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4506 3.0440 0.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4886 2.7353 -1.2656 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6285 3.2855 0.1892 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7241 1.5046 1.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2966 2.3703 0.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5377 2.1419 -1.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4873 0.4376 -2.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0893 2.1961 -1.9575 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3176 -1.3423 -1.7557 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8399 -2.5307 -0.5305 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8548 -2.3132 -1.9852 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 10 12 2 0 8 13 1 0 13 14 2 0 13 15 1 0 2 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 36 16 1 0 36 19 1 0 32 20 1 0 30 24 1 0 1 38 1 0 1 39 1 0 1 40 1 0 2 41 1 0 3 42 1 0 3 43 1 0 4 44 1 0 4 45 1 0 7 46 1 0 8 47 1 0 9 48 1 0 9 49 1 0 11 50 1 0 11 51 1 0 15 52 1 0 16 53 1 0 17 54 1 0 17 55 1 0 18 56 1 0 18 57 1 0 19 58 1 0 20 59 1 0 21 60 1 0 22 61 1 0 23 62 1 0 23 63 1 0 24 64 1 0 25 65 1 0 25 66 1 0 26 67 1 0 27 68 1 0 28 69 1 0 28 70 1 0 29 71 1 0 29 72 1 0 31 73 1 0 31 74 1 0 31 75 1 0 32 76 1 0 33 77 1 0 33 78 1 0 34 79 1 0 35 80 1 0 37 81 1 0 37 82 1 0 37 83 1 0 M END