3-Acetylpyridine Adenine dinucleotide http://gmd-dev.mpimp-golm.mpg.de/search.aspx?query=e33db3b5-f1a3-498f-89ef-af2ce7667fc1 71 75 0 1 0 0 0 0 0999 V2000 8.4752 2.2226 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 10.1980 2.4007 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.9405 0.4582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0400 1.1919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4026 0.9626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 2.7204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8069 3.6633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4211 2.2047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6651 1.6362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1109 1.9924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2852 2.8090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0615 1.4126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6063 3.3135 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.7897 1.4878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0283 -2.3767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.7997 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5328 0.2188 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.6783 -2.4092 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.6045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4026 0.9608 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9917 1.7688 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 0.1508 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9422 1.4582 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7006 2.6689 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4426 1.9985 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8337 2.1704 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0343 1.0857 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7523 2.0445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9209 2.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0313 -0.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5328 0.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5298 -1.5133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0313 -0.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5298 -1.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0283 -2.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5268 -3.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 1.5137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4309 2.2065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 -0.2884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 1.1757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1812 3.0075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6041 2.5971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3512 1.7811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6535 1.1171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0999 2.5580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3070 2.4760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2685 3.0922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4757 3.0102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0935 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 3.1804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3737 3.9145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6137 2.7941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -1.6045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4113 -0.6453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8437 0.7535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1116 2.7248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6513 -0.6509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8389 -2.0525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.7945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.9145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.9145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9893 -3.5544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8359 -3.7828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0643 -2.9362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 1 12 2 0 0 0 0 1 63 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 2 13 1 0 0 0 0 2 14 2 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 22 5 1 6 0 0 0 5 56 1 0 0 0 0 23 6 1 6 0 0 0 6 57 1 0 0 0 0 26 7 1 6 0 0 0 7 58 1 0 0 0 0 27 8 1 6 0 0 0 8 59 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 15 41 2 0 0 0 0 24 16 1 1 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 29 17 1 1 0 0 0 17 34 1 0 0 0 0 17 35 2 0 0 0 0 18 33 2 0 0 0 0 18 36 1 0 0 0 0 19 32 2 0 0 0 0 19 42 1 0 0 0 0 20 40 1 0 0 0 0 20 42 2 0 0 0 0 21 40 1 0 0 0 0 21 67 1 0 0 0 0 21 68 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 44 1 0 0 0 0 23 25 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 25 30 1 1 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 48 1 0 0 0 0 27 29 1 0 0 0 0 27 49 1 0 0 0 0 28 31 1 1 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 32 36 1 0 0 0 0 33 60 1 0 0 0 0 34 37 2 0 0 0 0 34 61 1 0 0 0 0 35 38 1 0 0 0 0 35 62 1 0 0 0 0 36 40 2 0 0 0 0 37 39 1 0 0 0 0 37 41 1 0 0 0 0 38 39 2 0 0 0 0 38 64 1 0 0 0 0 39 65 1 0 0 0 0 41 43 1 0 0 0 0 42 66 1 0 0 0 0 43 69 1 0 0 0 0 43 70 1 0 0 0 0 43 71 1 0 0 0 0 M CHG 2 13 -1 17 1 M END