HMDB0001256 RDKit 3D Spermine 40 39 0 0 0 0 0 0 0 0999 V2000 5.9451 0.8520 0.3288 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8900 -0.0105 -0.1338 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1780 -0.7449 1.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1242 -1.6107 0.2723 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2725 -0.7655 -0.4464 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3241 0.0411 0.2586 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7399 0.9997 -0.7282 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3466 1.8923 -0.3083 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6695 1.3441 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8915 0.4168 1.0337 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3681 0.1930 1.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8757 -0.5426 -0.0815 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3762 -0.7988 0.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7997 -1.5189 -1.1620 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5867 1.4245 1.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7814 0.2866 0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2155 -0.7932 -0.8483 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1473 0.6575 -0.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8841 -1.3489 1.5711 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6974 -0.0456 1.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5499 -2.1743 1.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6465 -2.3064 -0.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5574 -0.3354 -1.3121 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5906 -0.5757 0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8899 0.6924 1.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6497 1.6135 -1.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4606 0.3921 -1.6531 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5197 2.6142 -1.1861 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0198 2.6220 0.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3810 2.1972 0.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0062 0.8300 -0.9694 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5051 -0.5601 0.8094 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8867 1.1709 1.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6279 -0.3448 2.0322 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4015 -1.5562 -0.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7267 -0.0206 -1.0496 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6348 -1.4293 0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9315 0.1586 0.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2527 -0.9311 -1.8753 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9495 -1.9846 -1.5725 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 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 2 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 6 24 1 0 6 25 1 0 7 26 1 0 7 27 1 0 8 28 1 0 8 29 1 0 9 30 1 0 9 31 1 0 10 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 M END