HMDB0001179 RDKit 3D Nicotinic acid adenine dinucleotide 71 75 0 0 0 0 0 0 0 0999 V2000 10.2915 1.3659 2.3480 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0615 0.8421 1.8468 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7455 -0.4431 2.0936 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6328 -1.0198 1.6037 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8289 -0.2766 0.8410 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0439 0.9773 0.5382 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1862 1.5696 1.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1949 2.8234 0.6040 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0753 3.0090 -0.1814 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3515 1.8796 -0.2330 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2154 1.5119 -1.0546 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0321 1.2378 -0.5342 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8557 -0.1822 -0.5885 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1810 -0.5030 0.7002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8104 -0.3873 0.4225 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9844 0.8908 1.0191 P 0 0 0 0 0 5 0 0 0 0 0 0 0.0956 0.5960 2.1540 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8116 2.3098 1.1848 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1947 1.0939 -0.3735 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0685 -0.2810 -0.1142 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.0876 0.1527 0.9996 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0743 -1.4913 0.5853 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9451 -0.9277 -1.3947 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2743 -0.4011 -1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7958 -1.4539 -0.1404 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7134 -0.7392 0.6143 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8744 -1.4103 0.7045 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.9763 -0.4607 0.4887 N 0 0 0 0 0 4 0 0 0 0 0 0 -8.1957 -0.8703 0.8455 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2868 -0.0482 0.6659 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0837 1.1870 0.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8081 1.5855 -0.2436 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6376 2.8928 -0.8587 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5181 3.3248 -1.1817 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7568 3.7013 -1.1149 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7525 0.7411 -0.0504 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9346 -2.4114 -0.4151 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.5498 -3.5483 0.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4489 -2.6433 -0.6956 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0977 -3.7619 0.1367 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8715 -0.8230 -1.3174 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3588 -1.4726 -2.5177 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6877 0.3243 -1.9283 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3933 0.5618 -3.2450 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3651 2.2069 2.9124 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2136 0.8547 2.1053 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3486 -2.0349 1.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8090 3.9418 -0.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0990 2.3646 -1.7851 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8980 -0.2389 -1.3454 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3780 0.2259 1.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3881 -1.5173 1.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6795 2.8388 0.3499 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -2.1729 -0.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7837 -0.4789 -2.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1283 0.5796 -0.7271 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9737 -1.7998 0.5209 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9449 -1.8704 1.6968 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2951 -1.8737 1.2674 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2614 -0.3993 0.9531 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9238 1.8723 -0.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4103 3.8320 -0.3339 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7732 1.0589 -0.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3958 -1.9488 -1.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9527 -4.2650 0.3205 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2268 -2.8730 -1.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2836 -3.4025 1.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4925 -1.5960 -0.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8566 -2.3019 -2.6998 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7549 0.1862 -1.7254 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4210 -0.2105 -3.8339 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 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 2 0 16 18 1 0 16 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 20 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 32 36 2 0 27 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 13 41 1 0 41 42 1 0 41 43 1 0 43 44 1 0 7 2 1 0 43 11 1 0 10 6 1 0 39 25 1 0 36 28 1 0 1 45 1 0 1 46 1 0 4 47 1 0 9 48 1 0 11 49 1 6 13 50 1 6 14 51 1 0 14 52 1 0 18 53 1 0 22 54 1 0 24 55 1 0 24 56 1 0 25 57 1 1 27 58 1 1 29 59 1 0 30 60 1 0 31 61 1 0 35 62 1 0 36 63 1 0 37 64 1 6 38 65 1 0 39 66 1 6 40 67 1 0 41 68 1 1 42 69 1 0 43 70 1 6 44 71 1 0 M CHG 1 28 1 M END