HMDB0242371 RDKit 3D Cholylphenylalanine 89 93 0 0 0 0 0 0 0 0999 V2000 1.9698 1.8771 1.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1796 1.0831 0.9038 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9518 -0.1779 0.7139 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3606 0.2709 0.2602 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2011 -0.9279 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7073 -2.0582 0.2385 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5423 -0.7872 -0.3731 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4257 -1.9064 -0.6037 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6021 -1.8647 0.3142 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3616 -0.6174 0.0951 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3843 -0.5479 -0.8107 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1176 0.6086 -1.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8089 1.7430 -0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7794 1.7072 0.5937 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0698 0.5437 0.8003 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8253 -1.9607 -2.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3927 -1.1038 -2.8217 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6698 -2.9412 -2.5278 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1861 0.9871 1.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4022 0.3019 2.7299 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9002 -0.0628 2.7587 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3986 0.6076 1.5151 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7247 0.2836 1.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4249 -0.8631 1.6623 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3247 -0.3865 2.6478 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3015 -1.5331 0.6151 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0982 -0.5015 -0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1068 -1.2336 -0.9763 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7684 -0.3762 -2.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5941 0.5964 -1.4381 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7496 0.2437 -2.9168 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3285 0.1193 -2.4266 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1999 0.4200 -0.9464 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6606 1.8281 -0.7136 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7828 0.1510 -0.5115 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8190 1.0929 -1.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4097 0.8755 -0.7708 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7383 0.0401 -1.6916 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 0.2935 0.5725 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9572 -1.1847 0.5403 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3336 1.1254 2.7044 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7520 2.4922 1.5157 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2714 2.5343 2.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2462 1.6968 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 -0.7591 1.6303 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5421 -0.7641 -0.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8592 0.8438 1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3076 0.8384 -0.6847 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9539 0.1714 -0.5354 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8837 -2.8627 -0.4007 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2201 -1.8835 1.3545 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2183 -2.7690 0.1512 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6430 -1.4209 -1.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9189 0.6252 -1.7653 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3742 2.6510 -0.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5726 2.6305 1.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2610 0.5488 1.5391 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3638 -3.3965 -1.9213 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6307 2.0364 1.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 1.0444 3.5651 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2439 -0.5449 2.9467 H 0 0 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0 20 61 1 0 21 62 1 0 21 63 1 0 22 64 1 0 23 65 1 0 24 66 1 0 25 67 1 0 26 68 1 0 26 69 1 0 27 70 1 0 28 71 1 0 28 72 1 0 29 73 1 0 30 74 1 0 31 75 1 0 31 76 1 0 32 77 1 0 32 78 1 0 34 79 1 0 34 80 1 0 34 81 1 0 35 82 1 0 36 83 1 0 36 84 1 0 37 85 1 0 38 86 1 0 40 87 1 0 40 88 1 0 40 89 1 0 M END