HMDB0245575 RDKit 3D (R)-3-((2-(2-(4-Methylpiperidin-1-yl)ethyl)pyrrolidin-1-yl)sulfonyl)phenol 52 54 0 0 0 0 0 0 0 0999 V2000 5.7197 2.2772 -1.5088 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4805 1.4655 -1.1979 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7085 -0.0054 -1.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9779 -0.8193 -0.4002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6469 -0.3163 -0.1134 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0697 -1.2149 0.8687 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6723 -0.8233 1.2704 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2891 -0.8068 0.1142 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4277 -2.1271 -0.5646 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2771 -2.9168 0.3738 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1177 -1.8782 1.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6104 -0.5866 0.6562 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6907 0.1228 -0.4521 S 0 0 0 0 0 6 0 0 0 0 0 0 -2.1323 1.4656 -0.9023 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8615 -0.6858 -1.7121 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2643 0.4057 0.2053 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3129 -0.4819 0.1371 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5535 -0.1825 0.6943 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7529 1.0378 1.3379 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7121 1.9376 1.4143 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8825 3.1741 2.0558 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4976 1.6075 0.8514 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6483 1.0326 0.3533 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0405 1.6580 0.2374 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4240 3.3195 -1.7423 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3035 1.8497 -2.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3242 2.3318 -0.5714 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6363 1.7598 -1.8692 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5192 -0.3178 -2.4562 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8123 -0.1777 -1.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8262 -1.8514 -0.8316 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5137 -0.8959 0.5647 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1232 -2.2629 0.5463 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7136 -1.1311 1.7742 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3047 -1.5842 1.9872 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6333 0.1414 1.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0612 0.0207 -0.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9142 -1.9554 -1.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5381 -2.6111 -0.8049 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6328 -3.4765 1.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8731 -3.6414 -0.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0334 -2.0168 2.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1599 -2.0525 0.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1712 -1.4183 -0.3544 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3930 -0.8521 0.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7054 1.2958 1.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6679 3.1804 3.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6930 2.3556 0.9353 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3775 1.1327 1.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9886 1.6867 -0.2866 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9816 2.7310 0.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7032 1.1007 0.9256 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 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 2 0 13 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 20 22 2 0 5 23 1 0 23 24 1 0 24 2 1 0 12 8 1 0 22 16 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 4 32 1 0 6 33 1 0 6 34 1 0 7 35 1 0 7 36 1 0 8 37 1 0 9 38 1 0 9 39 1 0 10 40 1 0 10 41 1 0 11 42 1 0 11 43 1 0 17 44 1 0 18 45 1 0 19 46 1 0 21 47 1 0 22 48 1 0 23 49 1 0 23 50 1 0 24 51 1 0 24 52 1 0 M END