HMDB0059656 RDKit 3D O-acetyl-ADP-ribose 64 67 0 0 0 0 0 0 0 0999 V2000 10.5275 1.5238 -1.2894 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6217 0.9369 -0.2854 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9457 1.0160 0.9277 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4184 0.2967 -0.6286 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6248 -0.2297 0.3976 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3409 -1.6868 0.2579 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6493 -2.0465 -1.0744 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0019 -1.9055 0.4327 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4443 -0.7813 1.0203 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9589 -0.6960 0.7394 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 0.4466 1.3492 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8104 0.6391 1.1016 P 0 0 0 0 0 5 0 0 0 0 0 0 1.0763 -0.1370 2.1746 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3349 2.2610 1.2171 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3105 0.0705 -0.3981 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3647 -1.3022 -0.3074 P 0 0 0 0 0 5 0 0 0 0 0 0 0.9787 -2.3983 0.5235 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1618 -1.9065 -1.8842 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1533 -0.9391 0.3269 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6124 0.2980 -0.1687 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9653 0.5904 0.4157 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9077 -0.3714 0.0991 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1058 0.2773 0.3342 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2346 -0.4643 -0.1698 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3056 -1.3988 -1.1196 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5710 -1.8303 -1.2713 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.3342 -1.1663 -0.4071 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6770 -1.2358 -0.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5319 -2.1160 -0.8777 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.1969 -0.4365 0.7811 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.4006 0.4230 1.4845 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0718 0.4755 1.2294 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4918 -0.3073 0.2851 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9163 1.5851 -0.4259 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7605 2.5741 0.0281 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4598 1.9017 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4784 2.8342 0.9433 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2096 0.3633 0.3897 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8651 0.4982 -0.9546 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5129 2.6251 -1.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2674 1.2248 -2.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5868 1.2166 -1.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0765 -0.0630 1.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9558 -2.2725 0.9711 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8310 -3.0168 -1.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6710 -0.8089 2.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7223 -0.7863 -0.3188 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4939 -1.5615 1.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8120 2.8148 0.5375 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0349 -2.3257 -2.1683 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9373 1.1327 0.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6667 0.3108 -1.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8301 0.6215 1.5345 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2727 0.4775 1.4158 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4726 -1.7694 -1.6967 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1165 -1.7740 -1.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6443 -3.1271 -0.6555 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8542 1.0500 2.2384 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0221 1.3592 -1.5007 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6480 2.4295 -0.4292 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9103 2.2725 -0.9862 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5782 2.3186 1.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1455 1.2964 0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9228 0.6997 -1.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 12 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 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 28 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 23 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 9 38 1 0 38 39 1 0 38 5 1 0 36 21 1 0 33 24 1 0 33 27 1 0 1 40 1 0 1 41 1 0 1 42 1 0 5 43 1 0 6 44 1 0 7 45 1 0 9 46 1 0 10 47 1 0 10 48 1 0 14 49 1 0 18 50 1 0 20 51 1 0 20 52 1 0 21 53 1 0 23 54 1 0 25 55 1 0 29 56 1 0 29 57 1 0 31 58 1 0 34 59 1 0 35 60 1 0 36 61 1 0 37 62 1 0 38 63 1 0 39 64 1 0 M END