HMDB0000706 RDKit 3D Aspartylphenylalanine 36 36 0 0 0 0 0 0 0 0999 V2000 -2.9711 -1.9902 1.4280 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2262 -1.4344 0.1339 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2189 -0.2997 0.1704 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7387 0.8069 1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6453 0.7920 1.6303 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5497 1.9266 1.1531 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9633 -0.9920 -0.5054 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0146 -0.4792 -1.6506 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7468 -1.1560 0.1813 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4976 -0.7332 -0.4197 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0572 0.3589 0.4648 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3464 0.9102 -0.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5715 0.3870 0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7252 0.9575 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7296 2.0213 -0.9711 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5140 2.5337 -1.3749 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3374 1.9809 -0.8982 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4221 -1.8435 -0.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1435 -3.0227 -0.3346 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6524 -1.6020 -1.2397 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4160 -2.9231 1.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3064 -1.3791 2.2014 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6544 -2.2375 -0.5088 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3275 0.0965 -0.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2125 -0.6538 0.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5402 1.8661 1.3537 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7052 -1.5804 1.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2524 -0.3078 -1.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1961 -0.1045 1.4847 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3315 1.1790 0.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5688 -0.4477 1.0904 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6866 0.5538 0.2269 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6587 2.4556 -1.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4256 3.3710 -2.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3696 2.3610 -1.1966 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7507 -1.3713 -2.2295 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 2 0 4 6 1 0 2 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 10 18 1 0 18 19 2 0 18 20 1 0 17 12 1 0 1 21 1 0 1 22 1 0 2 23 1 6 3 24 1 0 3 25 1 0 6 26 1 0 9 27 1 0 10 28 1 6 11 29 1 0 11 30 1 0 13 31 1 0 14 32 1 0 15 33 1 0 16 34 1 0 17 35 1 0 20 36 1 0 M END