HMDB0249174 RDKit 3D Behenoyl-arabinofuranosyl-cytosine 95 96 0 0 0 0 0 0 0 0999 V2000 -9.1883 3.6699 1.4067 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8000 2.2828 1.5687 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1685 1.7307 0.2344 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7223 0.3694 0.2485 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9539 -0.8564 0.4227 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9622 -1.0572 1.4611 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6111 -0.4069 1.2729 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9473 -1.0378 0.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5431 -0.4358 -0.1086 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5986 1.0244 -0.3165 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2939 1.7122 -0.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4377 1.4260 -1.6472 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9055 0.0753 -1.8946 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1005 -0.5135 -0.7599 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6097 -1.9009 -1.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8152 -2.4093 0.0852 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3063 -3.7853 -0.1851 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5949 -3.9175 -1.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8621 -3.0842 -1.2692 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6503 -3.4975 -0.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9373 -2.6712 0.0407 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8308 -2.9133 -1.0887 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4238 -3.8836 -1.8636 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0158 -2.2989 -1.4719 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7174 -1.2625 -0.8536 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3413 -0.6802 0.3117 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1476 0.3607 0.8094 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2522 0.7780 0.1714 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0333 1.8495 0.7391 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5866 2.6769 -0.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4857 3.4431 0.4892 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5769 4.0130 -0.3907 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0265 4.8227 -1.3844 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1096 2.5772 1.5458 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4474 2.2953 1.2754 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2475 1.3346 1.4825 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9512 0.3880 0.7423 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6071 0.1938 -0.9738 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6572 0.6244 -1.5369 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8668 -0.7868 -1.4631 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9392 4.0404 2.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9758 4.3173 0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2710 3.6260 0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2031 1.6821 2.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7922 2.4381 2.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8467 2.4737 -0.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2522 1.7547 -0.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3228 0.2447 -0.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6002 0.3454 1.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4462 -1.0749 -0.6061 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7112 -1.7662 0.4818 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3721 -0.6903 2.4464 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8152 -2.1663 1.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9683 -0.5790 2.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7100 0.6487 1.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8171 -2.1055 0.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5234 -0.8786 -0.8812 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0311 -0.7177 0.8581 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0634 -1.0479 -0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3240 1.2591 -1.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0527 1.4957 0.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5003 2.8360 -0.5137 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7482 1.5785 0.4952 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6127 2.2210 -1.7572 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0637 1.6785 -2.5793 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5499 -0.6677 -2.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1187 0.2515 -2.7535 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6258 -0.4668 0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1794 0.1255 -0.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9551 -1.7963 -2.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4036 -2.5960 -1.3824 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0254 -1.7098 0.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5366 -2.4782 0.9246 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1713 -4.4490 -0.3482 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2458 -4.1565 0.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1129 -3.6426 -2.3247 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8966 -4.9749 -1.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -3.1990 -2.2287 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6130 -1.9946 -1.1969 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8997 -4.5830 -0.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1170 -3.3362 0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5424 -1.6122 0.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3664 -2.8837 1.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4581 -2.7155 -2.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4967 -0.9347 0.8957 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8554 0.8325 1.7397 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4340 2.4254 1.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9502 4.3020 0.9344 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2412 4.6536 0.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2219 3.2248 -0.8262 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7121 5.6632 -1.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9670 3.0194 2.5509 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5660 1.3188 1.4292 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9846 0.9599 2.4936 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0673 -0.4422 1.2666 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 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 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 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 2 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 31 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 28 38 1 0 38 39 2 0 38 40 1 0 40 25 2 0 36 29 1 0 1 41 1 0 1 42 1 0 1 43 1 0 2 44 1 0 2 45 1 0 3 46 1 0 3 47 1 0 4 48 1 0 4 49 1 0 5 50 1 0 5 51 1 0 6 52 1 0 6 53 1 0 7 54 1 0 7 55 1 0 8 56 1 0 8 57 1 0 9 58 1 0 9 59 1 0 10 60 1 0 10 61 1 0 11 62 1 0 11 63 1 0 12 64 1 0 12 65 1 0 13 66 1 0 13 67 1 0 14 68 1 0 14 69 1 0 15 70 1 0 15 71 1 0 16 72 1 0 16 73 1 0 17 74 1 0 17 75 1 0 18 76 1 0 18 77 1 0 19 78 1 0 19 79 1 0 20 80 1 0 20 81 1 0 21 82 1 0 21 83 1 0 24 84 1 0 26 85 1 0 27 86 1 0 29 87 1 0 31 88 1 0 32 89 1 0 32 90 1 0 33 91 1 0 34 92 1 0 35 93 1 0 36 94 1 0 37 95 1 0 M END