HMDB0015424 RDKit 3D Cefoperazone 71 75 0 0 0 0 0 0 0 0999 V2000 9.3818 2.0993 -1.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8352 2.7126 -0.6542 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6943 1.9411 -0.1678 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3529 2.2502 -0.6176 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7149 0.9207 -1.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5128 0.1917 0.2017 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2901 -0.2886 0.6832 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 -0.8490 1.8345 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0867 -0.1964 -0.0036 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8133 -0.6740 0.5182 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7627 0.2949 0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0348 1.3385 -0.4897 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5835 0.1713 0.6428 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5473 1.1411 0.2680 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1341 1.8673 1.4323 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6041 2.6852 2.2367 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4074 1.3233 1.2880 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7409 1.1728 1.7856 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5243 2.3448 2.1178 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9966 3.5016 1.9185 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7918 2.4201 2.6360 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1853 -0.0643 1.9585 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5358 -0.4044 2.4541 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4292 -1.4562 1.2585 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.7277 -0.6244 -0.2838 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9275 -0.6015 -1.3793 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5323 0.1108 -2.2847 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.6841 0.5448 -1.8137 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.8180 0.0956 -0.5706 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.9441 0.3462 0.3058 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3001 -1.2348 1.6961 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1368 -1.0867 0.3660 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9448 0.6750 0.0594 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5052 -2.0164 -0.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7891 -2.2286 -1.4416 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5041 -3.4378 -2.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9315 -4.4520 -1.3148 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6436 -5.6792 -1.9409 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6418 -4.2636 0.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9352 -3.0365 0.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7375 -0.0467 0.9403 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8268 -1.0073 1.7267 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8591 0.8514 0.7542 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9498 0.7092 1.3599 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4832 2.1987 -1.9226 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0635 1.0315 -2.0439 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9694 2.6256 -2.8359 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6367 2.6599 0.1091 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5577 3.7586 -0.8939 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7617 2.5781 0.2669 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3176 3.0095 -1.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7597 1.0956 -1.5466 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4436 0.3813 -1.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0664 0.2350 -0.9655 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9036 -0.8594 1.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8375 -0.6335 1.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2031 1.8552 -0.5347 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5772 2.7815 2.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1763 0.4190 2.7227 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4215 -1.0214 3.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5390 1.1762 -0.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5957 0.5476 1.3208 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6107 -0.5352 0.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8353 -1.5470 2.6708 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9789 -2.1101 1.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3701 1.0279 -0.8808 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2299 -1.4325 -1.9949 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7303 -3.6164 -3.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2807 -5.7632 -2.3626 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -5.0571 0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 -2.8666 1.6682 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 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 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 18 22 2 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 1 0 22 31 1 0 31 32 1 0 32 33 1 0 10 34 1 0 34 35 2 0 35 36 1 0 36 37 2 0 37 38 1 0 37 39 1 0 39 40 2 0 6 41 1 0 41 42 2 0 41 43 1 0 43 44 2 0 43 3 1 0 33 14 1 0 40 34 1 0 33 17 1 0 29 25 1 0 1 45 1 0 1 46 1 0 1 47 1 0 2 48 1 0 2 49 1 0 4 50 1 0 4 51 1 0 5 52 1 0 5 53 1 0 9 54 1 0 10 55 1 0 13 56 1 0 14 57 1 6 21 58 1 0 23 59 1 0 23 60 1 0 30 61 1 0 30 62 1 0 30 63 1 0 31 64 1 0 31 65 1 0 33 66 1 6 35 67 1 0 36 68 1 0 38 69 1 0 39 70 1 0 40 71 1 0 M END