HMDB0015083 RDKit 3D Mezlocillin 61 64 0 0 0 0 0 0 0 0999 V2000 -6.0553 0.7622 -1.1417 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9883 -0.2674 -0.8347 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1855 -1.5519 -1.5628 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3461 0.4578 -1.2745 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.3974 1.5417 0.1674 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2415 1.5127 1.1197 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3909 0.3736 1.0602 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0121 0.5513 0.8164 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5205 1.6720 0.6422 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8533 -0.6669 0.7627 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1987 -0.2610 0.4522 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2511 -0.4557 1.3754 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9588 -1.0043 2.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5733 -0.0654 1.0893 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6962 -0.2330 2.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7406 0.7437 1.5649 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3154 1.2463 0.2746 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0983 2.4627 -0.6768 S 0 0 0 0 0 6 0 0 0 0 0 0 5.8320 3.5467 -1.3178 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8511 1.8015 -1.7977 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0067 3.2189 0.2176 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1111 0.5324 -0.0594 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6185 0.4590 -1.2131 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3394 -1.6480 -0.2172 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3373 -2.7682 0.2126 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8393 -3.7147 -0.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6844 -3.5806 -1.9987 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0002 -2.4486 -2.4485 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 -1.4990 -1.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3687 1.4751 2.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6473 1.9465 3.2227 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0252 0.6423 1.1587 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8030 -0.3874 0.6322 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.0894 -0.4584 1.3738 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9236 -1.3257 1.0556 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3758 0.4118 2.4003 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9619 0.3252 -1.6137 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3282 1.3665 -0.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6725 1.5180 -1.8901 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0372 -2.0846 -1.0904 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2494 -2.1272 -1.5796 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5417 -1.3076 -2.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8449 2.5191 0.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7461 2.5049 1.1037 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7622 -0.5737 1.1913 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8495 -1.1817 1.7702 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4346 0.1944 -0.4766 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3146 0.0758 3.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0708 -1.2771 2.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8523 1.5608 2.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6996 0.1904 1.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0063 3.5561 -0.5891 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4383 3.1782 -2.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2176 4.5609 -1.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4853 -2.9180 1.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 -4.5678 -0.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0646 -4.3027 -2.7101 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1413 -2.3105 -3.4996 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0273 -0.6385 -1.9869 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3557 -1.4287 0.7801 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4011 0.1458 3.3776 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 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 2 0 18 21 2 0 17 22 1 0 22 23 2 0 10 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 6 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 33 2 1 0 32 5 1 0 22 14 1 0 29 24 1 0 1 37 1 0 1 38 1 0 1 39 1 0 3 40 1 0 3 41 1 0 3 42 1 0 5 43 1 6 6 44 1 1 7 45 1 0 10 46 1 1 11 47 1 0 15 48 1 0 15 49 1 0 16 50 1 0 16 51 1 0 19 52 1 0 19 53 1 0 19 54 1 0 25 55 1 0 26 56 1 0 27 57 1 0 28 58 1 0 29 59 1 0 33 60 1 6 36 61 1 0 M END