@MOLECULE 3-(carbamoylamino)-5-(3-fluorophenyl)-n-[(3s)-3-piperidinyl]-2-thiophenecarboxamide 44 46 0 0 0 SMALL USER_CHARGES @ATOM 1 S 0.2781 -0.7032 0.3656 S.2 1 UNL11111111 0.2545 2 F 5.1150 -2.6299 -1.8355 F 1 UNL11111111 -0.1719 3 O -2.6983 1.8899 0.0878 O.2 1 UNL11111111 -0.6244 4 O 1.7999 4.2095 -0.1891 O.2 1 UNL11111111 -0.5357 5 N -4.1662 -2.8867 0.7366 N.3 1 UNL11111111 -0.5405 6 N -2.7631 -0.3552 0.3610 N.am 1 UNL11111111 -0.5850 7 N -0.2528 3.1459 -0.0886 N.am 1 UNL11111111 -0.5611 8 N -0.0709 5.4739 -0.4110 N.am 1 UNL11111111 -0.6949 9 C -4.2275 -0.4301 0.3495 C.3 1 UNL11111111 0.1021 10 C -4.7588 -0.6874 -1.0790 C.3 1 UNL11111111 -0.3042 11 C -4.3545 -2.0770 -1.5774 C.3 1 UNL11111111 -0.2661 12 C -4.6438 -1.5987 1.2915 C.3 1 UNL11111111 -0.1518 13 C -4.7942 -3.1603 -0.5768 C.3 1 UNL11111111 -0.1128 14 C -2.0875 0.8268 0.1968 C.2 1 UNL11111111 0.6485 15 C -0.6322 0.7671 0.1883 C.ar 1 UNL11111111 -0.4649 16 C 0.2249 1.8546 0.0538 C.ar 1 UNL11111111 0.3185 17 C 1.8059 0.1406 0.2417 C.ar 1 UNL11111111 -0.0849 18 C 1.6250 1.4778 0.0854 C.ar 1 UNL11111111 -0.2326 19 C 3.0229 -0.6474 0.3118 C.ar 1 UNL11111111 0.0353 20 C 3.5459 -1.2014 -0.8602 C.ar 1 UNL11111111 -0.2147 21 C 3.6125 -0.9208 1.5487 C.ar 1 UNL11111111 -0.1739 22 C 0.5865 4.2701 -0.2186 C.2 1 UNL11111111 0.7306 23 C 4.6340 -2.0647 -0.7394 C.ar 1 UNL11111111 0.2008 24 C 4.7038 -1.7858 1.6333 C.ar 1 UNL11111111 -0.1030 25 C 5.2257 -2.3784 0.4851 C.ar 1 UNL11111111 -0.2212 26 H -4.6484 0.5372 0.7365 H 1 UNL11111111 0.1579 27 H -4.3685 0.0930 -1.7612 H 1 UNL11111111 0.1577 28 H -5.8582 -0.5764 -1.0866 H 1 UNL11111111 0.1402 29 H -4.8026 -2.2798 -2.5666 H 1 UNL11111111 0.1339 30 H -3.2571 -2.1231 -1.7179 H 1 UNL11111111 0.1542 31 H -4.1681 -1.4635 2.2885 H 1 UNL11111111 0.1502 32 H -5.7410 -1.5680 1.4457 H 1 UNL11111111 0.1198 33 H -5.9045 -3.1985 -0.5168 H 1 UNL11111111 0.1114 34 H -4.4604 -4.1615 -0.9231 H 1 UNL11111111 0.1342 35 H -4.3455 -3.6494 1.3909 H 1 UNL11111111 0.2546 36 H -2.3165 -1.2651 0.3873 H 1 UNL11111111 0.3367 37 H 2.4245 2.2066 -0.0114 H 1 UNL11111111 0.2183 38 H -1.2834 3.2362 -0.0756 H 1 UNL11111111 0.3637 39 H 3.1066 -0.9767 -1.8329 H 1 UNL11111111 0.1849 40 H 3.2107 -0.4623 2.4516 H 1 UNL11111111 0.1677 41 H 5.1431 -2.0131 2.6042 H 1 UNL11111111 0.1552 42 H 6.0654 -3.0680 0.5453 H 1 UNL11111111 0.1725 43 H 0.4785 6.3032 -0.5283 H 1 UNL11111111 0.3274 44 H -1.0594 5.5594 -0.4653 H 1 UNL11111111 0.3127 @BOND 1 29 11 1 2 2 23 1 3 39 20 1 4 27 10 1 5 30 11 1 6 11 10 1 7 11 13 1 8 28 10 1 9 10 9 1 10 34 13 1 11 20 23 ar 12 20 19 ar 13 23 25 ar 14 13 33 1 15 13 5 1 16 43 8 1 17 44 8 1 18 8 22 am 19 22 4 2 20 22 7 am 21 7 38 1 22 7 16 1 23 37 18 1 24 16 18 ar 25 16 15 ar 26 18 17 ar 27 3 14 2 28 15 14 1 29 15 1 ar 30 14 6 am 31 17 19 1 32 17 1 ar 33 19 21 ar 34 9 6 1 35 9 26 1 36 9 12 1 37 6 36 1 38 25 42 1 39 25 24 ar 40 5 12 1 41 5 35 1 42 12 32 1 43 12 31 1 44 21 24 ar 45 21 40 1 46 24 41 1