HMDB0029077 RDKit 3D Tryptophyl-Arginine 50 51 0 0 0 0 0 0 0 0999 V2000 7.7987 0.1828 0.1426 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6439 0.7384 0.0402 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4966 2.1655 0.0390 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4676 -0.0396 -0.0756 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3177 0.2407 0.7403 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1937 -0.7346 0.4271 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8061 -0.6050 -1.0116 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6988 -1.5630 -1.3874 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5107 -1.3400 -0.6084 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4913 -0.6873 -1.0776 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4058 -0.1937 -2.3682 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7099 -0.4626 -0.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6356 -1.0952 1.0237 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9187 1.0267 0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1541 1.1365 0.8259 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2432 1.3497 2.2044 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5322 1.3806 2.5628 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3229 1.1992 1.4965 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7041 1.1518 1.3498 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1917 0.9462 0.0782 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3632 0.7935 -1.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9978 0.8438 -0.8382 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4615 1.0461 0.4056 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1570 -2.9733 -1.2364 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1911 -3.3088 -1.8814 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4552 -3.8228 -0.4257 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8588 -0.8503 0.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1248 2.6542 -0.7934 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7606 2.7194 0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5042 -0.8177 -0.7858 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6228 0.1720 1.8115 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9894 1.2679 0.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3502 -0.5155 1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5654 -1.7579 0.6766 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6717 -0.8696 -1.6625 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5284 0.4314 -1.2194 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4713 -1.3963 -2.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.7412 -3.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6190 -0.8162 -0.7841 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0257 -0.6180 1.7028 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5344 -1.4368 1.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0692 1.5901 -0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0318 1.3694 0.5819 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3807 1.4652 2.8406 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8768 1.5231 3.5256 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3261 1.2756 2.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2671 0.9043 -0.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7361 0.6308 -2.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3113 0.7267 -1.6748 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8377 -4.2860 0.3873 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 9 10 2 3 10 11 1 0 10 12 1 0 12 13 1 0 12 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 8 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 0 11 38 1 0 12 39 1 0 13 40 1 0 13 41 1 0 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