HMDB0304806 RDKit 3D Lys-Asp-Tyr 58 58 0 0 0 0 0 0 0 0999 V2000 -3.3795 3.7035 -1.7421 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8658 2.4506 -1.1455 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9640 1.8249 -0.3597 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5143 0.5532 0.2978 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0725 -0.4265 -0.7261 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6343 -1.7483 -0.1726 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6741 -2.4425 0.5685 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4381 -1.7402 0.6553 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3747 -0.9686 1.8015 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4239 -2.4479 0.3356 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7910 -2.5016 1.0927 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3550 -3.8840 1.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3386 -4.7199 1.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6072 -5.9244 2.1158 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8795 -4.2088 2.2854 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7998 -1.5971 0.4072 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1255 -1.8177 0.9072 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4709 -0.8384 -0.4132 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0873 0.0499 -1.3733 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2417 0.9140 -1.8653 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8738 1.7121 -0.8019 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9581 1.2670 -0.0842 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5035 2.0517 0.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0097 3.2928 1.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5720 4.0910 2.2382 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9073 3.7372 0.4902 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 2.9611 -0.5009 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6288 -0.6805 -2.6189 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2347 -0.0871 -3.6282 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6726 -2.0636 -2.5750 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5520 4.1001 -2.2417 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5442 4.3492 -0.9269 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9721 2.7233 -0.5533 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5334 1.8060 -2.0072 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8005 1.5509 -1.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4437 2.5297 0.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6286 0.8044 0.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3675 0.2002 0.9161 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2497 -0.0248 -1.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9754 -0.6545 -1.3678 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4520 -2.4058 -1.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3198 -3.4181 0.7203 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9345 -1.9489 1.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6397 -0.2437 1.8015 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6274 -2.0984 2.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2874 -3.8712 1.8035 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6205 -4.3173 0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8979 -3.4341 2.9369 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3274 -1.2635 1.7521 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2241 0.7269 -1.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7691 1.6365 -2.5863 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9131 0.2936 -2.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3691 0.2842 -0.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3622 1.6655 1.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1579 4.9867 2.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5158 4.7117 0.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4883 3.3582 -1.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3379 -2.5586 -1.9716 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 6 8 1 0 8 9 1 0 8 10 2 3 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 11 16 1 0 16 17 1 0 16 18 2 3 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 24 26 1 0 26 27 2 0 19 28 1 0 28 29 2 0 28 30 1 0 27 21 1 0 1 31 1 0 1 32 1 0 2 33 1 0 2 34 1 0 3 35 1 0 3 36 1 0 4 37 1 0 4 38 1 0 5 39 1 0 5 40 1 0 6 41 1 6 7 42 1 0 7 43 1 0 9 44 1 0 11 45 1 1 12 46 1 0 12 47 1 0 15 48 1 0 17 49 1 0 19 50 1 1 20 51 1 0 20 52 1 0 22 53 1 0 23 54 1 0 25 55 1 0 26 56 1 0 27 57 1 0 30 58 1 0 M END