HMDB0259936 RDKit 3D L-Alanine, 3-(((3-(4-(aminoiminomethyl)phenyl)-4,5-dihydro-5-isoxazolyl)acety... 58 59 0 0 0 0 0 0 0 0999 V2000 -8.9664 -0.9638 -1.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2995 -0.0587 -0.5428 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9753 0.2151 0.1791 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0853 0.8860 -0.8527 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8569 1.1676 -0.2600 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9685 0.2835 0.2845 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2799 -0.9348 0.2552 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7306 0.6578 0.8734 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8687 -0.3430 1.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5329 -0.4054 0.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8590 0.8719 0.8095 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4128 1.0929 0.2259 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9482 0.1453 -0.3972 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1182 2.3770 0.3233 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4730 2.3439 -0.3575 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4058 1.3192 0.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1435 0.8246 -0.9487 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4226 0.0899 -0.9166 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0250 -0.3281 -2.0831 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2359 -1.0240 -2.0538 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8587 -1.3101 -0.8572 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1288 -2.0393 -0.8073 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6875 -2.4284 -1.8931 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7376 -2.3137 0.4294 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2442 -0.8858 0.2984 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0486 -0.1983 0.2757 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4823 1.1422 -2.0022 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3330 1.8223 -1.6913 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6439 -0.1507 2.8872 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1662 0.7904 3.5377 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8306 -1.0336 3.5812 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0942 -1.5925 -1.5297 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8353 -1.6381 -1.9146 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7829 -0.3271 -2.5903 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7190 0.9162 -0.8603 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0398 -0.5141 0.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1279 0.8272 1.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5835 -0.7567 0.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0158 0.1674 -1.6976 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5656 1.7902 -1.2766 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5212 1.6817 0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3269 -1.3448 1.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9504 -1.2317 1.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7413 -0.6026 -0.3677 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2929 1.6877 1.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2534 2.7308 1.3549 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5001 3.1374 -0.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9537 3.3208 -0.3569 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8972 0.5100 0.7937 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1303 1.8678 0.9002 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5581 -0.1159 -3.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6991 -1.3467 -2.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5878 -2.9441 -1.8378 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6926 -3.2553 0.8667 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2476 -1.5668 0.9287 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7301 -1.1079 1.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5861 0.1233 1.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8814 -2.0280 3.4523 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 2 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 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 3 22 24 1 0 21 25 1 0 25 26 2 0 17 27 2 0 27 28 1 0 9 29 1 0 29 30 2 0 29 31 1 0 28 15 1 0 26 18 1 0 1 32 1 0 1 33 1 0 1 34 1 0 2 35 1 0 2 36 1 0 3 37 1 0 3 38 1 0 4 39 1 0 4 40 1 0 8 41 1 0 9 42 1 0 10 43 1 0 10 44 1 0 11 45 1 0 14 46 1 0 14 47 1 0 15 48 1 0 16 49 1 0 16 50 1 0 19 51 1 0 20 52 1 0 23 53 1 0 24 54 1 0 24 55 1 0 25 56 1 0 26 57 1 0 31 58 1 0 M END