HMDB0032199 RDKit 3D Chymosin preparation, escherichia coli k-12 75 78 0 0 0 0 0 0 0 0999 V2000 -2.0687 3.3794 -0.9915 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5323 3.5203 0.1765 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2309 2.5611 1.1728 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3822 1.4023 0.8596 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0703 1.5713 1.5421 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9694 2.0047 0.7345 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5734 1.5342 -0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5053 2.2283 -1.4486 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3432 0.2660 -0.5128 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6870 0.5787 -0.0118 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8083 0.3985 -0.8578 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6541 -0.0375 -2.0507 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1365 0.7036 -0.3871 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4092 1.1827 0.8672 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6904 1.4721 1.2884 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7363 1.2755 0.4254 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5044 0.7917 -0.8543 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5495 0.5878 -1.7373 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2091 0.5158 -1.2334 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9972 0.0289 -2.5275 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7306 -0.7280 0.4293 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9130 -2.0757 0.0363 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9091 -2.9803 0.4094 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1979 -4.1944 0.6054 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5193 -2.5289 0.5830 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3651 -3.7375 0.4439 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2182 -3.9189 -0.6448 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2376 -3.0183 -1.5036 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0488 -5.0927 -0.7854 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0310 -6.1009 0.1923 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7882 -7.2404 0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6242 -7.4350 -0.9171 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6933 -6.4984 -1.9035 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5315 -6.6587 -3.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9135 -5.3333 -1.8441 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0207 -4.4228 -2.8641 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7444 -1.8565 1.8923 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7418 -0.8834 1.9437 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1078 0.1406 1.1469 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2349 0.0609 0.5287 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3681 4.6848 0.4414 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9079 4.8954 1.7065 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6921 5.9868 1.9607 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9696 6.9030 0.9816 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4666 6.7453 -0.2748 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7516 7.6727 -1.2525 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6613 5.6213 -0.5292 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1981 5.5380 -1.8102 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5875 2.6438 2.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1604 1.5027 -0.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2126 2.4300 2.2771 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2112 0.7508 2.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3691 -0.0658 -1.5507 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7062 0.9220 0.9654 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5686 1.3389 1.5572 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8705 1.8441 2.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7606 1.4971 0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5155 0.7731 -1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7615 -0.1177 -3.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1048 -0.5330 1.4297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6274 -0.5577 0.3045 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7840 -1.8834 -0.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3016 -4.4531 1.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3808 -5.9792 1.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7344 -7.9951 0.9341 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2454 -8.3513 -0.9748 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5546 -5.9508 -3.7037 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5779 -3.5814 -3.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1501 -2.6894 2.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2006 -1.5946 2.4194 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6918 4.1797 2.4738 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0952 6.1191 2.9555 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6064 7.7559 1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3644 7.5338 -2.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6529 4.9515 -2.3339 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 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 11 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 19 2 0 19 20 1 0 9 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 33 35 2 0 35 36 1 0 25 37 1 0 37 38 1 0 38 39 1 0 39 40 2 0 2 41 1 0 41 42 2 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 45 47 2 0 47 48 1 0 39 4 1 0 47 41 1 0 19 13 1 0 35 29 1 0 3 49 1 0 4 50 1 6 5 51 1 0 5 52 1 0 9 53 1 6 10 54 1 0 14 55 1 0 15 56 1 0 16 57 1 0 18 58 1 0 20 59 1 0 21 60 1 0 21 61 1 0 25 62 1 6 26 63 1 0 30 64 1 0 31 65 1 0 32 66 1 0 34 67 1 0 36 68 1 0 37 69 1 0 37 70 1 0 42 71 1 0 43 72 1 0 44 73 1 0 46 74 1 0 48 75 1 0 M END