HMDB0001186 RDKit 3D N1-Acetylspermine 45 44 0 0 0 0 0 0 0 0999 V2000 5.3383 2.2343 -1.0715 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3386 0.7779 -0.7739 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8572 -0.0040 -1.5926 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7682 0.2468 0.4116 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7497 -1.1589 0.7307 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0059 -1.9897 -0.2932 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5620 -1.5539 -0.4159 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8808 -1.6933 0.8325 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -1.2943 0.7763 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3873 0.1791 0.5804 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0366 0.6634 0.5163 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8237 0.0533 -0.6058 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1615 0.5616 -0.6059 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9593 0.1385 0.5232 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3313 0.7670 0.3697 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9862 0.3263 -0.9109 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2880 0.9520 -1.0113 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3264 2.6378 -0.7763 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2106 2.3696 -2.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5220 2.7234 -0.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3381 0.9492 1.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2620 -1.2941 1.7246 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8127 -1.5043 0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5294 -1.8735 -1.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0762 -3.0524 0.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0845 -2.2336 -1.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5494 -0.5519 -0.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0855 -2.5560 1.3441 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0027 -1.8789 -0.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0331 -1.6215 1.7301 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8336 0.6655 1.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9052 0.5059 -0.3374 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0002 1.7647 0.3412 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5233 0.3857 1.4645 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8883 -1.0505 -0.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3882 0.2261 -1.6061 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2594 1.5554 -0.8302 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5600 0.4427 1.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0749 -0.9652 0.5412 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2346 1.8610 0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0098 0.4754 1.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3789 0.5468 -1.8114 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1729 -0.7736 -0.8874 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5425 1.3766 -0.1076 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3518 1.6634 -1.7505 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 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 14 15 1 0 15 16 1 0 16 17 1 0 1 18 1 0 1 19 1 0 1 20 1 0 4 21 1 0 5 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 9 29 1 0 9 30 1 0 10 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 14 38 1 0 14 39 1 0 15 40 1 0 15 41 1 0 16 42 1 0 16 43 1 0 17 44 1 0 17 45 1 0 M END