@MOLECULE 4-({(3s,4s)-4-[(3,5-dihydroxybenzyl)amino]-3-pyrrolidinyl}[4-(trifluoromethyl)benzyl]sulfamoyl)benzamide 66 69 0 0 0 SMALL GASTEIGER @ATOM 1 C -1.4717 -4.1589 -1.2273 C.3 1 UNL111111111 -0.1510 2 N -1.5765 -3.6864 -2.6299 N.3 1 UNL111111111 -0.5460 3 C -0.4907 -2.6944 -2.8398 C.3 1 UNL111111111 -0.1384 4 C -0.2905 -1.9907 -1.4727 C.3 1 UNL111111111 -0.0035 5 N 1.1548 -1.7831 -1.2379 N.3 1 UNL111111111 -0.5521 6 C 1.6102 -0.5157 -1.8630 C.3 1 UNL111111111 -0.1394 7 C 3.0579 -0.2968 -1.5075 C.ar 1 UNL111111111 0.1550 8 C 4.0643 -0.6790 -2.3929 C.ar 1 UNL111111111 -0.3771 9 C 5.3965 -0.4724 -2.0204 C.ar 1 UNL111111111 0.3691 10 O 6.4329 -0.8346 -2.8129 O.3 1 UNL111111111 -0.4640 11 C 5.7566 0.1130 -0.8025 C.ar 1 UNL111111111 -0.4138 12 C 4.7127 0.4715 0.0467 C.ar 1 UNL111111111 0.3690 13 O 4.9347 1.0115 1.2728 O.3 1 UNL111111111 -0.5131 14 C 3.3659 0.2882 -0.2796 C.ar 1 UNL111111111 -0.3652 15 C -0.9032 -2.9660 -0.4067 C.3 1 UNL111111111 0.0848 16 N -1.8795 -2.2462 0.4113 N.3 1 UNL111111111 -0.8206 17 S -1.7484 -2.3384 2.1496 S.O2 1 UNL111111111 2.3507 18 O -3.0761 -2.1052 2.6668 O.2 1 UNL111111111 -0.8982 19 O -0.9856 -3.5273 2.4405 O.2 1 UNL111111111 -0.8994 20 C -0.7408 -0.9431 2.5204 C.ar 1 UNL111111111 -0.3432 21 C -1.3437 0.2597 2.8810 C.ar 1 UNL111111111 -0.0932 22 C -0.5590 1.3903 3.0898 C.ar 1 UNL111111111 -0.1107 23 C 0.8288 1.3032 2.9625 C.ar 1 UNL111111111 -0.0754 24 C 1.5857 2.5654 3.2030 C.2 1 UNL111111111 0.5682 25 N 2.7829 2.7601 2.5544 N.am 1 UNL111111111 -0.6731 26 O 1.1432 3.4434 3.9215 O.2 1 UNL111111111 -0.5240 27 C 1.4370 0.0854 2.6658 C.ar 1 UNL111111111 -0.1518 28 C 0.6466 -1.0417 2.4409 C.ar 1 UNL111111111 -0.0954 29 C -3.1815 -1.9257 -0.1959 C.3 1 UNL111111111 -0.0755 30 C -3.1615 -0.4881 -0.6671 C.ar 1 UNL111111111 0.0382 31 C -2.9803 -0.2078 -2.0242 C.ar 1 UNL111111111 -0.1911 32 C -2.7722 1.1028 -2.4416 C.ar 1 UNL111111111 -0.0939 33 C -2.7643 2.1315 -1.4976 C.ar 1 UNL111111111 -0.1571 34 C -2.4425 3.5302 -1.9297 C.3 1 UNL111111111 0.5512 35 F -3.4805 4.1898 -2.4442 F 1 UNL111111111 -0.2034 36 F -1.9885 4.3256 -0.9605 F 1 UNL111111111 -0.2012 37 F -1.4998 3.6075 -2.8711 F 1 UNL111111111 -0.2075 38 C -3.0606 1.8692 -0.1609 C.ar 1 UNL111111111 -0.0861 39 C -3.2714 0.5561 0.2503 C.ar 1 UNL111111111 -0.1814 40 H -2.4804 -4.4674 -0.8844 H 1 UNL111111111 0.1557 41 H -0.8082 -5.0396 -1.1147 H 1 UNL111111111 0.1269 42 H -1.5145 -4.4536 -3.2926 H 1 UNL111111111 0.2551 43 H 0.4612 -3.1498 -3.1821 H 1 UNL111111111 0.1403 44 H -0.8232 -1.9807 -3.6174 H 1 UNL111111111 0.1386 45 H -0.8451 -1.0212 -1.4535 H 1 UNL111111111 0.1497 46 H 1.3774 -1.7930 -0.2419 H 1 UNL111111111 0.2636 47 H 1.4760 -0.6146 -2.9646 H 1 UNL111111111 0.1558 48 H 1.0004 0.3665 -1.5533 H 1 UNL111111111 0.1373 49 H 3.8165 -1.1463 -3.3390 H 1 UNL111111111 0.1733 50 H 6.1373 -1.3093 -3.6298 H 1 UNL111111111 0.3332 51 H 6.7990 0.2592 -0.5495 H 1 UNL111111111 0.1879 52 H 5.8953 1.1602 1.4568 H 1 UNL111111111 0.3483 53 H 2.5837 0.5968 0.4043 H 1 UNL111111111 0.1758 54 H -0.0820 -3.3618 0.2528 H 1 UNL111111111 0.1631 55 H -2.4292 0.3314 3.0198 H 1 UNL111111111 0.1755 56 H -1.0199 2.3444 3.3657 H 1 UNL111111111 0.1822 57 H 3.2422 2.0679 2.0006 H 1 UNL111111111 0.3204 58 H 3.2773 3.6219 2.6923 H 1 UNL111111111 0.3163 59 H 2.5236 -0.0007 2.6218 H 1 UNL111111111 0.1656 60 H 1.1342 -1.9983 2.2246 H 1 UNL111111111 0.1707 61 H -3.4013 -2.6049 -1.0582 H 1 UNL111111111 0.1688 62 H -4.0196 -2.0868 0.5287 H 1 UNL111111111 0.1725 63 H -2.9777 -1.0245 -2.7511 H 1 UNL111111111 0.1764 64 H -2.6085 1.3092 -3.4996 H 1 UNL111111111 0.1664 65 H -3.1265 2.6747 0.5726 H 1 UNL111111111 0.1675 66 H -3.5209 0.3417 1.2904 H 1 UNL111111111 0.1727 @BOND 1 1 2 1 2 1 15 1 3 1 40 1 4 1 41 1 5 2 3 1 6 2 42 1 7 3 4 1 8 3 43 1 9 3 44 1 10 4 5 1 11 4 15 1 12 4 45 1 13 5 6 1 14 5 46 1 15 6 7 1 16 6 47 1 17 6 48 1 18 7 8 ar 19 7 14 ar 20 8 9 ar 21 8 49 1 22 9 10 1 23 9 11 ar 24 10 50 1 25 11 12 ar 26 11 51 1 27 12 13 1 28 12 14 ar 29 13 52 1 30 14 53 1 31 15 16 1 32 15 54 1 33 16 17 1 34 16 29 1 35 17 18 2 36 17 19 2 37 17 20 1 38 20 21 ar 39 20 28 ar 40 21 22 ar 41 21 55 1 42 22 23 ar 43 22 56 1 44 23 24 1 45 23 27 ar 46 24 25 am 47 24 26 2 48 25 57 1 49 25 58 1 50 27 28 ar 51 27 59 1 52 28 60 1 53 29 30 1 54 29 61 1 55 29 62 1 56 30 31 ar 57 30 39 ar 58 31 32 ar 59 31 63 1 60 32 33 ar 61 32 64 1 62 33 34 1 63 33 38 ar 64 34 35 1 65 34 36 1 66 34 37 1 67 38 39 ar 68 38 65 1 69 39 66 1