HMDB0256043 RDKit 3D P-Hydroxyhippuryl-his-leu-OH 59 60 0 0 0 0 0 0 0 0999 V2000 -6.8798 2.0454 -0.5615 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4397 2.3129 -0.7564 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3156 3.0698 -2.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4614 1.2286 -0.6794 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3312 0.5035 0.6149 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2669 -0.5402 0.4487 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0543 -0.4535 1.1395 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8361 0.5173 1.8987 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9839 -1.4895 1.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1742 -2.2051 -0.3453 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1283 -3.2368 -0.4973 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1790 -4.5733 -0.0966 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9595 -5.1783 -0.4201 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7168 -4.2281 -1.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0711 -3.0773 -1.0634 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3003 -1.0064 1.0657 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -0.5300 1.1193 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5020 -0.9011 1.8808 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9946 0.5885 0.1837 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3632 0.9485 0.3392 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4613 0.1045 0.1205 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2585 -1.0841 -0.2401 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8453 0.5349 0.2901 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2244 1.5038 1.2002 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5541 1.9046 1.3204 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5558 1.3572 0.5393 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8942 1.7185 0.6187 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1809 0.3846 -0.3741 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8653 -0.0154 -0.4958 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5623 -0.1709 1.0152 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8113 -1.3850 0.7024 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5355 0.4600 1.7633 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2302 1.0149 -0.7107 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3007 2.5079 0.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4944 2.6222 -1.3624 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1563 3.1045 0.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6188 4.1186 -1.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0750 2.5926 -2.7746 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2914 2.9212 -2.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4391 1.6703 -0.9052 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6476 0.4302 -1.4781 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9690 1.1605 1.4272 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4851 -1.3070 -0.2051 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2445 -2.2651 1.7829 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1181 -1.5130 -1.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1459 -2.7725 -0.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0808 -4.9534 0.4068 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7232 -4.4008 -1.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4303 -2.1644 -1.4761 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5805 -1.8909 2.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8087 0.1688 -0.8269 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3424 1.4655 0.3223 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5948 1.9341 0.6444 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4451 1.9450 1.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8039 2.6498 2.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2058 2.4936 0.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9553 -0.0595 -0.9988 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5564 -0.7855 -1.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5039 0.2047 1.8487 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 9 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 26 28 1 0 28 29 2 0 5 30 1 0 30 31 2 0 30 32 1 0 15 11 1 0 29 23 1 0 1 33 1 0 1 34 1 0 1 35 1 0 2 36 1 0 3 37 1 0 3 38 1 0 3 39 1 0 4 40 1 0 4 41 1 0 5 42 1 0 6 43 1 0 9 44 1 0 10 45 1 0 10 46 1 0 12 47 1 0 14 48 1 0 15 49 1 0 16 50 1 0 19 51 1 0 19 52 1 0 20 53 1 0 24 54 1 0 25 55 1 0 27 56 1 0 28 57 1 0 29 58 1 0 32 59 1 0 M END