HMDB0031345 RDKit 3D Calystegine A6 24 25 0 0 0 0 0 0 0 0999 V2000 -0.2120 -1.5098 1.5199 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5913 -1.2201 0.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7998 -0.3383 0.1429 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5042 1.1184 0.0956 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1646 1.3860 -0.5108 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9221 1.2629 0.5379 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6156 -0.0187 0.1798 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0847 -0.7316 1.2498 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5587 -0.7414 -0.6231 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1741 -1.7480 -1.3250 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0943 0.3467 -1.4942 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6088 -0.8950 2.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9061 -2.2148 -0.2309 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4223 -0.6005 -0.7544 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4377 -0.5319 1.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2643 1.6600 -0.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5482 1.6134 1.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1488 2.3504 -1.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5018 1.1421 1.5552 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5913 2.1265 0.4334 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4434 0.2217 -0.5101 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8218 -1.3280 0.9051 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5813 -1.4012 -2.1446 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7808 0.0512 -1.9788 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 7 9 1 0 9 10 1 0 9 11 1 0 9 2 1 0 11 5 1 0 1 12 1 0 2 13 1 0 3 14 1 0 3 15 1 0 4 16 1 0 4 17 1 0 5 18 1 0 6 19 1 0 6 20 1 0 7 21 1 0 8 22 1 0 10 23 1 0 11 24 1 0 M END