HMDB0014334 RDKit 3D Bortezomib 53 54 0 0 0 0 0 0 0 0999 V2000 -3.3189 -1.3735 -0.5618 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3456 -0.2734 -0.6723 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6847 -0.8632 -0.2305 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0456 0.9193 0.1566 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7279 1.6183 -0.1604 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5517 1.0170 -0.0349 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3034 0.3788 0.0983 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0039 -0.3513 1.0784 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 0.5179 -0.9134 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8639 -0.7037 -1.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1856 -1.9531 -1.1179 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2878 -2.8624 -0.6539 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6289 -4.0386 -0.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9545 -4.3153 0.1857 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8879 -3.4342 -0.2617 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5422 -2.2584 -0.9092 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0160 0.7010 -0.1733 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9803 1.7038 -0.4525 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8575 2.5308 -1.3927 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1975 1.8448 0.3473 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1849 2.7342 0.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2723 2.8337 0.8698 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4067 2.0622 1.9499 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4158 1.1505 2.2503 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3236 1.0581 1.4396 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7801 2.9415 0.7828 B 0 0 0 0 0 0 0 0 0 0 0 0 -2.3735 4.2103 0.2066 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6946 2.7114 2.2221 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6756 -2.3177 -1.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4085 -1.1028 -1.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1478 -1.5990 0.4899 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5050 0.0134 -1.7452 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2083 -1.2953 -1.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5191 -1.6713 0.5121 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3240 -0.0761 0.2437 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1257 0.7324 1.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8453 1.6781 -0.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8785 2.0114 -1.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9056 0.5305 1.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5976 1.3883 -1.5318 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -0.5833 -2.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1755 -0.8086 -2.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7679 -2.7029 -0.7758 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1012 -4.7478 0.3516 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2140 -5.2311 0.6948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 -3.6776 -0.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3357 -1.6174 -1.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1947 0.0511 0.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0839 3.3569 -0.7978 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3000 2.1955 2.5467 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5090 0.5194 3.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1796 4.6661 -0.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8947 1.7815 2.4558 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 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 9 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 5 26 1 0 26 27 1 0 26 28 1 0 16 11 1 0 25 20 1 0 1 29 1 0 1 30 1 0 1 31 1 0 2 32 1 0 3 33 1 0 3 34 1 0 3 35 1 0 4 36 1 0 4 37 1 0 5 38 1 6 6 39 1 0 9 40 1 6 10 41 1 0 10 42 1 0 12 43 1 0 13 44 1 0 14 45 1 0 15 46 1 0 16 47 1 0 17 48 1 0 21 49 1 0 23 50 1 0 24 51 1 0 27 52 1 0 28 53 1 0 M END