HMDB0028720 RDKit 3D Arginyltryptophan 50 51 0 0 0 0 0 0 0 0999 V2000 -3.3990 2.3444 -0.8890 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5161 1.8379 -0.5085 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6820 2.6262 -0.3219 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5830 0.4385 -0.2679 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7274 -0.2556 0.6446 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2665 -0.2894 0.1565 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2924 -0.9904 -1.1572 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9716 -1.1370 -1.8499 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2937 -1.8611 -3.1044 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0189 -1.9110 -1.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2252 -3.1216 -1.3716 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6835 -1.4252 0.0913 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6085 -2.2316 0.8463 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9921 -1.7486 0.6544 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3129 -0.3840 1.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8758 0.0359 2.2312 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9651 1.3652 2.1555 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4941 1.8290 0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3886 3.1135 0.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8734 3.3398 -0.8081 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4554 2.2508 -1.5405 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5636 0.9832 -1.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0827 0.7364 0.2669 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2030 -2.3999 2.2482 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1512 -1.8655 2.6741 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9574 -3.1455 3.1397 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2423 3.3527 -1.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6389 3.6608 -0.4996 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5927 2.2384 -0.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3132 -0.0766 -0.8091 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0330 -1.3177 0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7757 0.1388 1.6781 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9319 0.7556 0.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7407 -0.8789 0.9457 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9644 -0.3805 -1.8311 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7888 -1.9757 -1.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5796 -0.1352 -2.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4147 -1.7866 -3.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3744 -2.8748 -2.8611 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4859 -0.4204 0.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5173 -3.2718 0.3913 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6503 -2.4330 1.2754 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3831 -1.9081 -0.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1852 -0.5988 3.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3528 1.9858 2.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7190 3.9525 1.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7921 4.3562 -1.2249 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0400 2.3515 -2.5338 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2425 0.0987 -1.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9403 -2.9673 3.3113 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 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 0 13 24 1 0 24 25 2 0 24 26 1 0 23 15 1 0 23 18 1 0 1 27 1 0 3 28 1 0 3 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 6 34 1 0 7 35 1 0 7 36 1 0 8 37 1 6 9 38 1 0 9 39 1 0 12 40 1 0 13 41 1 6 14 42 1 0 14 43 1 0 16 44 1 0 17 45 1 0 19 46 1 0 20 47 1 0 21 48 1 0 22 49 1 0 26 50 1 0 M END