HMDB0015135 RDKit 3D Cyclacillin 46 48 0 0 0 0 0 0 0 0999 V2000 4.7033 0.0993 0.2937 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4371 -0.6942 0.3587 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6282 -2.1233 0.7381 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3453 0.1786 1.5689 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1531 1.5491 0.4063 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8174 2.0521 0.0666 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3077 1.1934 0.2067 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5483 1.6163 0.7533 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6378 2.8091 1.1253 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7186 0.7364 0.9029 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8119 1.4789 1.4905 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4274 -0.4297 1.8248 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8125 -1.7414 1.1715 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2992 -1.6594 0.8719 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4903 -0.5694 -0.1439 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2080 0.1926 -0.4202 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3931 1.9680 -1.3125 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3289 2.6160 -2.3674 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0509 0.8053 -0.8691 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6096 -0.4804 -0.8589 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3665 -0.7202 -2.0983 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9376 -1.8122 -2.2734 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4438 0.2566 -3.0606 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5445 0.9312 -0.4231 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5816 -0.4659 -0.0502 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8737 0.5962 1.2869 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2813 -2.8487 -0.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1822 -2.2927 1.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7346 -2.2915 0.8676 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9259 2.3145 0.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6782 3.1037 0.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2506 0.1981 -0.0977 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7613 2.5070 1.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6882 1.4172 2.5398 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0109 -0.3718 2.7742 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3597 -0.4677 2.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2104 -1.9758 0.2921 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6609 -2.5471 1.9127 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7110 -2.6019 0.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8085 -1.3351 1.8039 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2426 0.1811 0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8476 -0.9919 -1.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5256 1.0575 -1.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4622 -0.3867 -0.9628 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8331 -1.3108 -0.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9510 0.2595 -3.9371 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 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 6 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 2 1 0 19 5 1 0 16 10 1 0 1 24 1 0 1 25 1 0 1 26 1 0 3 27 1 0 3 28 1 0 3 29 1 0 5 30 1 6 6 31 1 1 7 32 1 0 11 33 1 0 11 34 1 0 12 35 1 0 12 36 1 0 13 37 1 0 13 38 1 0 14 39 1 0 14 40 1 0 15 41 1 0 15 42 1 0 16 43 1 0 16 44 1 0 20 45 1 1 23 46 1 0 M END