HMDB0015171 RDKit 3D Selegiline 31 31 0 0 0 0 0 0 0 0999 V2000 5.2434 1.0529 0.4667 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1920 0.4765 0.6352 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9398 -0.2201 0.8118 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9341 0.3803 -0.0547 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2187 0.1337 -1.4483 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6073 -0.0587 0.3291 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3579 -1.5136 0.1976 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3714 0.8405 -0.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7729 0.5371 -0.0823 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4328 -0.3202 -0.9357 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7476 -0.6859 -0.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4675 -0.1792 0.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8312 0.6739 1.1661 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5088 1.0303 0.9814 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1686 1.5522 0.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9819 -1.3021 0.6438 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5492 -0.0916 1.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 1.1154 -1.9362 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3981 -0.3641 -1.9615 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1731 -0.4396 -1.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5514 0.1767 1.4343 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3629 -1.8862 -0.8471 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6503 -1.7240 0.6475 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0877 -2.0571 0.8226 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 0.7815 -1.4495 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1452 1.8827 -0.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8756 -0.7315 -1.7977 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2186 -1.3590 -1.4634 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5159 -0.4747 0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3932 1.0798 2.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0302 1.6942 1.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 2 3 1 0 3 4 1 0 4 5 1 0 4 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 1 15 1 0 3 16 1 0 3 17 1 0 5 18 1 0 5 19 1 0 5 20 1 0 6 21 1 0 7 22 1 0 7 23 1 0 7 24 1 0 8 25 1 0 8 26 1 0 10 27 1 0 11 28 1 0 12 29 1 0 13 30 1 0 14 31 1 0 M END