HMDB0244548 RDKit 3D Z-Leu-Leu-Norvalinal 72 72 0 0 0 0 0 0 0 0999 V2000 4.4116 4.0314 -3.4402 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1786 3.2617 -2.1661 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4935 2.6327 -1.7498 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3464 1.8307 -0.4738 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6962 1.2721 -0.1693 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8734 0.0733 -0.1017 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4373 0.7191 -0.6404 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2581 0.5548 0.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9363 1.3869 0.9665 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3517 -0.6401 -0.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1485 -1.8570 0.0616 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5129 -3.1859 -0.1164 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5691 -4.3075 0.0964 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4224 -3.4166 0.9073 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2030 -0.5188 0.7807 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0578 -0.2076 0.2636 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1146 -0.0463 -1.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3439 -0.0136 0.8949 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4274 -0.1478 2.3498 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1443 -1.4928 2.9295 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1541 -2.4881 2.3665 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3591 -1.3653 4.4407 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0797 1.1224 0.3386 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1728 0.9644 -0.5403 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5993 -0.1524 -0.9146 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8123 2.0903 -1.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8930 2.1327 -1.8862 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1213 1.4675 -1.4184 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2763 0.9981 -0.1435 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4585 0.3858 0.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4757 0.2419 -0.7238 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3500 0.7013 -2.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1466 1.3151 -2.3201 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3147 3.3567 -4.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4863 4.3795 -3.4489 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7549 4.9357 -3.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3909 2.5181 -2.2615 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8523 4.0304 -1.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8354 2.0336 -2.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1916 3.4664 -1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0632 2.5266 0.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5482 1.9165 -0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6651 -0.0164 -1.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9561 -0.5772 -1.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9923 -1.8155 -0.7069 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7290 -1.8595 1.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1401 -3.3390 -1.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0471 -4.2090 1.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2827 -4.2351 -0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0218 -5.2591 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3112 -4.5295 1.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7027 -3.0132 1.8851 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4715 -2.9789 0.5819 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4127 -0.6496 1.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9947 -0.9210 0.4885 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4286 0.2164 2.7187 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7176 0.5825 2.8625 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1355 -1.8388 2.7487 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0480 -1.9882 1.9889 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4589 -3.2160 3.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6975 -3.0667 1.5428 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6718 -0.6198 4.8522 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1859 -2.3755 4.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4049 -1.0308 4.6075 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 2.0842 0.6028 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6303 1.7936 -2.9102 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1589 3.2227 -2.0184 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4870 1.0999 0.6139 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6022 0.0048 1.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4230 -0.2472 -0.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1541 0.5903 -2.7352 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0381 1.6857 -3.3438 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 2 0 4 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 10 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 18 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 33 28 1 0 1 34 1 0 1 35 1 0 1 36 1 0 2 37 1 0 2 38 1 0 3 39 1 0 3 40 1 0 4 41 1 0 5 42 1 0 7 43 1 0 10 44 1 0 11 45 1 0 11 46 1 0 12 47 1 0 13 48 1 0 13 49 1 0 13 50 1 0 14 51 1 0 14 52 1 0 14 53 1 0 15 54 1 0 18 55 1 0 19 56 1 0 19 57 1 0 20 58 1 0 21 59 1 0 21 60 1 0 21 61 1 0 22 62 1 0 22 63 1 0 22 64 1 0 23 65 1 0 27 66 1 0 27 67 1 0 29 68 1 0 30 69 1 0 31 70 1 0 32 71 1 0 33 72 1 0 M END