HMDB0029138 RDKit 3D Valyltryptophan 43 44 0 0 0 0 0 0 0 0999 V2000 -2.5911 2.1212 0.6217 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6865 1.1242 0.4471 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2709 1.2302 -0.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2293 -0.2751 0.7168 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7493 -0.4290 2.0561 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2240 -0.7773 -0.2542 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4032 -0.6309 -1.4933 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0382 -1.4355 0.1769 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0559 -1.9262 -0.7652 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3532 -1.6123 -0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6836 -0.1788 -0.3365 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 0.9498 -0.5691 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7593 2.0245 -0.3342 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9670 1.6062 0.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1090 2.3262 0.3761 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2220 1.6219 0.7197 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2472 0.2410 0.7402 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1104 -0.4340 0.4022 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9530 0.2501 0.0453 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1468 -3.4414 -0.8353 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9905 -4.0739 -0.1415 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6878 -4.1672 -1.6567 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8879 1.8134 1.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0634 3.0915 0.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0242 2.2509 -0.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5263 1.3942 1.1258 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4649 1.4371 -1.6744 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9680 2.0763 -0.9663 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8543 0.3120 -1.1908 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1394 -0.9487 0.5987 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7681 -1.4562 2.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7943 -0.0546 2.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8662 -1.5728 1.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3463 -1.5534 -1.7747 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9968 -2.0589 -1.2264 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5889 -2.1272 0.5509 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0637 0.9889 -0.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4031 3.0043 -0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0868 3.4040 0.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1283 2.1508 0.9895 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1409 -0.3054 1.0154 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1285 -1.5111 0.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6329 -4.4487 -1.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 4 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 2 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 9 20 1 0 20 21 2 0 20 22 1 0 19 11 1 0 19 14 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 3 29 1 0 4 30 1 1 5 31 1 0 5 32 1 0 8 33 1 0 9 34 1 6 10 35 1 0 10 36 1 0 12 37 1 0 13 38 1 0 15 39 1 0 16 40 1 0 17 41 1 0 18 42 1 0 22 43 1 0 M END