HMDB0060477 RDKit 3D gamma-Glutamyl-beta-aminopropiononitrile 27 26 0 0 0 0 0 0 0 0999 V2000 2.4860 2.0548 1.9480 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0857 1.3131 1.2766 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8521 0.3942 0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9679 -0.1568 -0.6692 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8506 -0.8460 -0.0739 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6824 -0.3384 0.1356 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5137 0.9720 -0.2504 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3488 -1.1745 0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5370 -1.5075 -0.0513 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4008 -0.4177 -0.5482 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8125 0.5468 -1.4111 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1572 0.2731 0.5247 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7521 -0.3860 1.3913 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1968 1.6450 0.5554 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6838 0.9528 -0.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2518 -0.4372 1.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5745 -0.8495 -1.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6558 0.6614 -1.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8071 1.4146 -1.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1324 -2.1620 1.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6366 -0.7740 1.7775 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2077 -2.2132 -0.8655 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1919 -2.1613 0.6023 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2098 -0.9259 -1.1681 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0261 0.3827 -2.4326 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0221 1.5366 -1.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0446 2.2030 0.5193 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 5 6 2 3 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 2 0 12 14 1 0 3 15 1 0 3 16 1 0 4 17 1 0 4 18 1 0 7 19 1 0 8 20 1 0 8 21 1 0 9 22 1 0 9 23 1 0 10 24 1 6 11 25 1 0 11 26 1 0 14 27 1 0 M END