HMDB0014628 RDKit 3D Dicloxacillin 47 50 0 0 0 0 0 0 0 0999 V2000 0.3580 -3.0616 0.7565 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7453 -2.5555 0.6767 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8512 -3.3057 0.7882 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 -2.5896 0.6769 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5907 -1.2990 0.4815 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4527 -0.1487 0.3048 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 0.6193 1.3618 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4156 0.2000 2.9862 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.7194 1.7068 1.1541 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1265 2.0729 -0.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6826 1.3112 -1.1644 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8758 0.2412 -0.9549 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3358 -0.7003 -2.3264 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1868 -1.2687 0.4802 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4118 -0.0548 0.3014 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0821 1.0249 0.1081 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0031 0.0247 0.3242 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6368 1.3028 0.1309 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6766 1.6651 1.1244 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5880 2.1661 2.2772 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6785 1.2161 0.2250 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9471 0.7454 -0.2444 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5804 1.7945 -1.0669 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6904 1.6471 -1.6429 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9496 3.0014 -1.2275 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7155 -0.5546 -1.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6924 -1.7069 -0.0423 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7588 -0.7397 -2.0807 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0659 -0.2438 -1.7167 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7541 1.3469 -0.8730 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4588 -4.2027 0.8293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2094 -2.7180 1.6363 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2079 -2.9395 -0.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0783 2.3217 1.9938 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7697 2.9219 -0.3125 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0067 1.6030 -2.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5968 -0.7818 0.4731 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0656 2.1168 -0.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6228 0.5354 0.6329 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6207 3.5958 -0.4702 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2545 -1.4526 0.8856 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1939 -2.5677 -0.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6704 -1.9898 0.2084 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6896 -0.0327 -2.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7557 -0.6770 -1.5926 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6510 -1.8093 -2.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8098 2.2190 -1.5120 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 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 5 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 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 22 26 1 0 26 27 1 0 26 28 1 0 26 29 1 0 29 30 1 0 14 2 2 0 30 18 1 0 12 6 1 0 30 21 1 0 1 31 1 0 1 32 1 0 1 33 1 0 9 34 1 0 10 35 1 0 11 36 1 0 17 37 1 0 18 38 1 6 22 39 1 1 25 40 1 0 27 41 1 0 27 42 1 0 27 43 1 0 28 44 1 0 28 45 1 0 28 46 1 0 30 47 1 6 M END