HMDB0040835 RDKit 3D Cycloaltilisin 59 62 0 0 0 0 0 0 0 0999 V2000 -4.5289 4.7197 -1.7533 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2708 4.5967 -1.1505 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6135 3.3959 -0.9854 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1458 2.2053 -1.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4722 1.0181 -1.2294 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2554 1.0492 -0.6282 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6782 2.2231 -0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3682 3.4019 -0.3722 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8180 4.5822 0.0548 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4934 -0.1987 -0.4563 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6729 -0.1648 0.1323 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4229 -1.2299 0.3367 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6411 -1.1013 0.9678 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0812 0.2258 1.3917 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5858 1.0579 0.2662 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7910 1.5656 0.2095 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7672 1.3370 1.3036 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2096 2.3822 -0.9547 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3859 -2.2460 1.1586 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6427 -2.1727 1.8008 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9247 -3.4626 0.7332 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6781 -3.5766 0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2826 -4.8024 -0.3045 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9108 -2.4359 -0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3063 -2.5264 -0.7373 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8046 -3.5924 -1.1576 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0434 -1.3685 -0.9209 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3586 -1.4140 -1.6317 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2050 -2.4346 -1.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8944 -2.3183 0.1059 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6998 -3.4639 0.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8771 -1.0580 0.8747 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0207 -0.1790 -1.6518 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5608 4.0379 -2.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3796 4.5473 -1.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6045 5.7404 -2.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1187 2.1546 -1.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3018 2.1906 0.2885 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0873 4.5902 0.5005 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1680 0.7711 1.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7847 0.1760 2.2434 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8952 1.2420 -0.5476 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4956 1.8969 2.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7898 1.6791 1.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8423 0.2812 1.5603 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5091 2.2487 -1.8263 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1537 3.4690 -0.7137 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2420 2.1637 -1.2971 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1505 -3.0251 1.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5238 -4.3471 0.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5567 -5.2426 -0.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1486 -1.6710 -2.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2686 -3.4065 -1.5261 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6126 -3.1337 1.1177 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1161 -4.1361 1.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0448 -4.0216 -0.3206 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5008 -0.3110 0.3388 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8582 -0.6753 1.0828 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4292 -1.2334 1.8484 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 6 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 3 16 17 1 0 16 18 1 0 13 19 1 0 19 20 1 0 19 21 2 0 21 22 1 0 22 23 1 0 22 24 2 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 2 3 30 31 1 0 30 32 1 0 28 33 1 0 8 3 1 0 27 10 2 0 33 5 1 0 24 12 1 0 1 34 1 0 1 35 1 0 1 36 1 0 4 37 1 0 7 38 1 0 9 39 1 0 14 40 1 0 14 41 1 0 15 42 1 0 17 43 1 0 17 44 1 0 17 45 1 0 18 46 1 0 18 47 1 0 18 48 1 0 20 49 1 0 21 50 1 0 23 51 1 0 28 52 1 0 29 53 1 0 31 54 1 0 31 55 1 0 31 56 1 0 32 57 1 0 32 58 1 0 32 59 1 0 M END