HMDB0248504 RDKit 3D Apalcillin 60 64 0 0 0 0 0 0 0 0999 V2000 -5.8310 -1.4501 2.5633 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3120 -0.9847 1.2394 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9175 -1.6530 0.0537 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4795 -1.1028 1.2087 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1214 0.5992 0.7179 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6444 0.7291 -0.7449 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3910 1.4039 -0.7311 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1565 0.7903 -1.1132 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2526 -0.4287 -1.4733 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1528 1.4434 -1.1138 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1510 0.3730 -0.8937 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1218 0.0357 -1.8354 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1387 0.6831 -2.9409 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1114 -1.0030 -1.6424 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8386 -1.4604 -2.7639 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7302 -2.4303 -2.6092 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9753 -3.0071 -1.4062 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9017 -4.0146 -1.2688 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1255 -4.5885 -0.0147 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4319 -4.1609 1.0895 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5365 -3.1742 0.9089 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3010 -2.6059 -0.2778 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3580 -1.5798 -0.4391 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7646 -1.2367 0.6095 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3230 2.4188 -0.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4683 2.0706 1.2922 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6256 3.0187 2.3019 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6384 4.3433 2.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4934 4.7157 0.6914 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3363 3.7655 -0.3189 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7837 1.6788 -0.7896 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0177 2.6724 -1.5281 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4509 1.0265 0.2877 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4522 0.5371 1.1722 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7846 0.9481 0.7424 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7971 0.5908 1.3705 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9340 1.7448 -0.3747 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2898 -2.4646 2.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6283 -0.7818 2.9723 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0066 -1.4620 3.3367 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8733 -2.1593 0.2685 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2011 -2.3978 -0.3236 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1628 -0.8494 -0.6935 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6159 1.2372 1.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7296 -0.2148 -1.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3473 2.3954 -0.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4043 1.8898 -2.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0520 -0.1040 0.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6230 -0.9867 -3.7073 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2715 -2.7800 -3.4218 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4368 -4.3385 -2.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -5.3770 0.0732 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6132 -4.6146 2.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4621 1.0388 1.5801 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7377 2.7060 3.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7571 5.1127 2.7495 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 5.7609 0.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 4.0557 -1.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2010 0.8900 2.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0760 2.7360 -0.2343 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 2 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 10 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 6 31 1 0 31 32 2 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 34 2 1 0 33 5 1 0 23 14 1 0 30 25 1 0 22 17 1 0 1 38 1 0 1 39 1 0 1 40 1 0 3 41 1 0 3 42 1 0 3 43 1 0 5 44 1 0 6 45 1 0 7 46 1 0 10 47 1 0 11 48 1 0 15 49 1 0 16 50 1 0 18 51 1 0 19 52 1 0 20 53 1 0 26 54 1 0 27 55 1 0 28 56 1 0 29 57 1 0 30 58 1 0 34 59 1 0 37 60 1 0 M END