HMDB0000536 RDKit 3D Adenylsuccinic acid 49 51 0 0 0 0 0 0 0 0999 V2000 -5.8335 2.4239 1.0283 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6006 1.8078 0.2022 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6752 2.5071 -0.3084 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3640 0.4165 -0.2058 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4398 -0.3160 0.6953 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1049 0.1340 0.8845 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9897 -0.5396 0.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0786 -1.6588 -0.3410 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0294 -2.3316 -0.8229 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7854 -1.8690 -0.6265 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5906 -0.7185 0.0721 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6811 -0.0733 0.5506 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2338 0.9767 1.2302 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1119 1.0123 1.1879 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5100 -0.0545 0.4449 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7885 -0.3898 -0.0410 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7210 -0.9330 0.7327 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9054 -0.8559 0.1423 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8774 -0.0364 1.1117 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0839 -0.6014 0.8135 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3280 0.3967 0.3754 P 0 0 0 0 0 5 0 0 0 0 0 0 8.6268 -0.0053 0.9455 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4867 -0.0440 -1.3516 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0638 2.0209 0.4837 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7539 0.2578 -0.9760 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5593 -0.3340 -2.1754 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5184 0.9406 -0.4702 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7517 1.5817 -1.4001 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4613 -1.7548 0.3219 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8399 -2.6145 0.9470 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2165 -2.1828 -0.7877 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0879 2.3380 -1.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3596 -0.1060 -0.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1283 0.2577 -1.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9465 -0.3171 1.7488 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8877 1.0226 1.4513 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1623 -3.2460 -1.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7414 1.6906 1.6578 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7423 -0.9362 -1.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4233 -1.6928 -0.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5352 -0.2447 2.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7828 1.0371 0.9265 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1000 -1.0171 -1.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2059 2.3096 0.1331 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6430 0.9362 -0.9516 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3283 -1.2617 -2.1861 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7336 1.5049 0.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0678 2.5040 -1.5346 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8936 -1.9417 -1.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 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 2 0 21 23 1 0 21 24 1 0 18 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 5 29 1 0 29 30 2 0 29 31 1 0 12 7 1 0 27 16 1 0 15 11 1 0 3 32 1 0 4 33 1 0 4 34 1 0 5 35 1 1 6 36 1 0 9 37 1 0 14 38 1 0 16 39 1 6 18 40 1 6 19 41 1 0 19 42 1 0 23 43 1 0 24 44 1 0 25 45 1 6 26 46 1 0 27 47 1 1 28 48 1 0 31 49 1 0 M END