HMDB0257343 RDKit 3D 3beta-(4-Iodophenyl)tropan-2beta-carboxylic acid isopropyl ester 46 48 0 0 0 0 0 0 0 0999 V2000 4.4852 0.0972 0.0151 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3285 1.0541 -0.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5953 1.8125 -1.4712 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0884 0.4172 -0.1647 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1170 0.6898 0.7881 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4427 1.5692 1.6248 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1433 -0.0431 0.7306 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9105 0.1376 -0.5362 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6750 1.4060 -0.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5745 1.7184 0.4197 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2869 2.8929 0.3875 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1065 3.7911 -0.6651 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2242 5.5859 -0.6733 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.2143 3.4964 -1.6683 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5002 2.3105 -1.6281 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9045 -1.0090 -0.7061 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2585 -2.3510 -0.5723 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7634 -3.0101 0.7173 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0145 -2.1685 1.7495 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1205 -1.5190 0.9944 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1674 -2.2417 -0.2647 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6831 -3.5670 0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8288 0.1148 1.0873 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1625 -0.9557 -0.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3804 0.3727 -0.5832 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3615 1.7790 0.6334 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6962 1.9911 -1.5561 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3289 1.2362 -2.3929 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1090 2.7850 -1.5344 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7971 0.3045 1.5748 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2482 0.0890 -1.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7290 1.0364 1.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9971 3.1517 1.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1028 4.2130 -2.4619 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8166 2.1153 -2.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3378 -0.8901 -1.7359 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7655 -0.9107 -0.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4529 -2.9942 -1.4278 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8533 -2.8903 0.7983 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5086 -4.0698 0.7702 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6597 -2.7992 2.5857 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7092 -1.3687 2.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0660 -1.6622 1.5428 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7717 -3.7624 1.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7396 -3.6009 -0.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 -4.3537 -0.4763 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 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 8 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 20 7 1 0 15 9 1 0 21 17 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 3 29 1 0 7 30 1 0 8 31 1 0 10 32 1 0 11 33 1 0 14 34 1 0 15 35 1 0 16 36 1 0 16 37 1 0 17 38 1 0 18 39 1 0 18 40 1 0 19 41 1 0 19 42 1 0 20 43 1 0 22 44 1 0 22 45 1 0 22 46 1 0 M END