HMDB0014851 RDKit 3D Oxacillin 47 50 0 0 0 0 0 0 0 0999 V2000 0.2737 2.9754 0.3676 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6859 2.4692 0.3722 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7699 3.2386 0.4763 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8480 2.5413 0.4547 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5633 1.2312 0.3315 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4758 0.1077 0.2801 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4317 0.0002 1.2972 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3608 -0.9960 1.3403 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3991 -1.9505 0.3734 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4702 -1.8761 -0.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5233 -0.8554 -0.6866 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1611 1.1793 0.2786 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3968 -0.0403 0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0102 -1.1309 0.3979 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0431 -0.0861 -0.2607 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5837 -1.3984 -0.3476 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3515 -1.5053 -1.6008 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0603 -1.8359 -2.7726 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5553 -1.0899 -0.9787 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8858 -0.5721 -0.7464 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7733 -1.6743 -0.3731 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9822 -1.4606 -0.1417 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3017 -2.9669 -0.2681 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7772 0.5391 0.2433 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4525 1.8719 -0.3534 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0519 0.6793 1.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4189 -0.0684 1.3206 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -1.5022 0.2776 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2944 2.4144 1.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3476 4.0204 0.8354 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1637 3.0614 -0.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4301 0.7403 2.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0817 -1.0202 2.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1347 -2.7502 0.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5107 -2.6366 -1.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8203 -0.8049 -1.5018 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4669 0.7762 -0.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0683 -2.2322 -0.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2628 -0.1362 -1.6944 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8299 -3.7368 0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6992 2.4310 0.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3583 2.5468 -0.3487 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1479 1.7652 -1.3951 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0268 1.6157 1.6606 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9400 0.8039 0.3886 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2558 -0.2094 1.6853 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2224 -2.4729 0.6704 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 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 5 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 20 24 1 0 24 25 1 0 24 26 1 0 24 27 1 0 27 28 1 0 12 2 2 0 28 16 1 0 11 6 1 0 28 19 1 0 1 29 1 0 1 30 1 0 1 31 1 0 7 32 1 0 8 33 1 0 9 34 1 0 10 35 1 0 11 36 1 0 15 37 1 0 16 38 1 1 20 39 1 6 23 40 1 0 25 41 1 0 25 42 1 0 25 43 1 0 26 44 1 0 26 45 1 0 26 46 1 0 28 47 1 1 M END