@MOLECULE 4,4'-[(3s,4s)-3,4-pyrrolidinediylbis(benzylsulfamoyl)]dibenzamide 78 82 0 0 0 SMALL GASTEIGER @ATOM 1 C -3.9584 -1.8857 1.1518 C.ar 1 UNL1111111111 -0.1399 2 O 6.9724 -2.4469 -0.4578 O.2 1 UNL1111111111 -0.5004 3 N -5.8874 -4.1380 1.4832 N.am 1 UNL1111111111 -0.6870 4 C 4.3018 -2.7876 0.8700 C.ar 1 UNL1111111111 -0.1384 5 O -5.7647 -4.2721 -0.7557 O.2 1 UNL1111111111 -0.5037 6 N 6.3430 -4.2906 -1.5814 N.am 1 UNL1111111111 -0.6905 7 C -5.3001 -1.4142 -0.8115 C.ar 1 UNL1111111111 -0.1246 8 C -4.9168 -2.2742 0.2178 C.ar 1 UNL1111111111 -0.0814 9 C 3.6758 -2.8172 -1.4735 C.ar 1 UNL1111111111 -0.1538 10 C 4.6394 -2.9341 -0.4749 C.ar 1 UNL1111111111 -0.0782 11 C -1.4321 2.6986 -2.2165 C.3 1 UNL1111111111 -0.0800 12 C 6.0687 -3.1713 -0.8188 C.2 1 UNL1111111111 0.5674 13 S -2.9737 1.8009 -0.1306 S.O2 1 UNL1111111111 2.3421 14 C -5.5372 -3.6273 0.2479 C.2 1 UNL1111111111 0.5688 15 S 0.3714 -1.9549 0.6620 S.O2 1 UNL1111111111 2.3854 16 O -3.9109 2.7810 -0.6258 O.2 1 UNL1111111111 -0.8862 17 O -0.5103 -2.2935 -0.4328 O.2 1 UNL1111111111 -0.9261 18 C -0.2374 3.4754 -1.7164 C.ar 1 UNL1111111111 -0.0486 19 C -0.2298 4.0775 -0.4580 C.ar 1 UNL1111111111 -0.1618 20 C 0.8710 3.6223 -2.5536 C.ar 1 UNL1111111111 -0.1891 21 C -3.3878 -0.6178 1.0601 C.ar 1 UNL1111111111 -0.0756 22 C 2.9802 -2.5188 1.2189 C.ar 1 UNL1111111111 -0.0773 23 C -4.7174 -0.1520 -0.9089 C.ar 1 UNL1111111111 -0.0767 24 C 2.3548 -2.5421 -1.1213 C.ar 1 UNL1111111111 -0.0551 25 C -0.2373 -0.0446 -2.5929 C.3 1 UNL1111111111 -0.1331 26 N 1.1955 0.3340 -2.5893 N.3 1 UNL1111111111 -0.5360 27 C -0.8990 0.4114 -1.2662 C.3 1 UNL1111111111 0.0200 28 C 0.3065 0.7007 -0.3048 C.3 1 UNL1111111111 0.0479 29 C 1.5779 0.6946 -1.2024 C.3 1 UNL1111111111 -0.1634 30 C -3.7577 0.2362 0.0229 C.ar 1 UNL1111111111 -0.3611 31 C 2.0164 -2.3851 0.2210 C.ar 1 UNL1111111111 -0.3638 32 N -1.8383 1.5264 -1.4325 N.3 1 UNL1111111111 -0.7803 33 C 0.8980 4.7684 -0.0210 C.ar 1 UNL1111111111 -0.1380 34 C 1.9993 4.3107 -2.1141 C.ar 1 UNL1111111111 -0.1484 35 C 2.0194 4.8750 -0.8407 C.ar 1 UNL1111111111 -0.1495 36 N 0.4488 -0.2326 0.8104 N.3 1 UNL1111111111 -0.8289 37 C 0.2567 0.3780 2.1385 C.3 1 UNL1111111111 -0.0650 38 C 1.2700 1.4736 2.3663 C.ar 1 UNL1111111111 -0.0215 39 C 2.6245 1.2645 2.1056 C.ar 1 UNL1111111111 -0.1593 40 C 3.5399 2.2926 2.3157 C.ar 1 UNL1111111111 -0.1484 41 C 3.1073 3.5241 2.8043 C.ar 1 UNL1111111111 -0.1567 42 C 0.8342 2.7113 2.8418 C.ar 1 UNL1111111111 -0.1650 43 C 1.7549 3.7305 3.0719 C.ar 1 UNL1111111111 -0.1594 44 O 0.0972 -2.4515 1.9948 O.2 1 UNL1111111111 -0.9218 45 O -2.2359 2.0551 1.0895 O.2 1 UNL1111111111 -0.9397 46 H -3.6276 -2.5704 1.9328 H 1 UNL1111111111 0.1642 47 H -6.3153 -5.0425 1.5424 H 1 UNL1111111111 0.3188 48 H -5.7357 -3.6507 2.3360 H 1 UNL1111111111 0.3038 49 H 5.0716 -2.8685 1.6384 H 1 UNL1111111111 0.1688 50 H 7.2901 -4.5069 -1.8268 H 1 UNL1111111111 0.3171 51 H 5.6403 -4.9299 -1.8761 H 1 UNL1111111111 0.3051 52 H -6.0386 -1.7422 -1.5464 H 1 UNL1111111111 0.1735 53 H 3.9480 -2.9123 -2.5238 H 1 UNL1111111111 0.1621 54 H -2.3087 3.3986 -2.3051 H 1 UNL1111111111 0.1818 55 H -1.2501 2.3489 -3.2640 H 1 UNL1111111111 0.1463 56 H -1.0982 4.0117 0.2013 H 1 UNL1111111111 0.1804 57 H 0.8564 3.2058 -3.5583 H 1 UNL1111111111 0.1450 58 H -2.6454 -0.3140 1.8093 H 1 UNL1111111111 0.1807 59 H 2.7173 -2.4153 2.2779 H 1 UNL1111111111 0.1744 60 H -5.0219 0.5165 -1.7219 H 1 UNL1111111111 0.1749 61 H 1.6028 -2.4293 -1.9157 H 1 UNL1111111111 0.1892 62 H -0.7656 0.3331 -3.4845 H 1 UNL1111111111 0.1344 63 H -0.2805 -1.1599 -2.6494 H 1 UNL1111111111 0.1699 64 H 1.3679 1.1147 -3.2189 H 1 UNL1111111111 0.2461 65 H -1.5125 -0.4584 -0.8906 H 1 UNL1111111111 0.1856 66 H 0.1829 1.7350 0.1263 H 1 UNL1111111111 0.1804 67 H 2.3368 -0.0346 -0.8553 H 1 UNL1111111111 0.1564 68 H 2.0774 1.6834 -1.1607 H 1 UNL1111111111 0.1385 69 H 0.9028 5.2199 0.9710 H 1 UNL1111111111 0.1581 70 H 2.8641 4.4101 -2.7679 H 1 UNL1111111111 0.1549 71 H 2.9043 5.4026 -0.4897 H 1 UNL1111111111 0.1568 72 H -0.7830 0.7873 2.2324 H 1 UNL1111111111 0.1686 73 H 0.3620 -0.3880 2.9473 H 1 UNL1111111111 0.1694 74 H 2.9626 0.3025 1.7241 H 1 UNL1111111111 0.1569 75 H 4.5941 2.1323 2.0980 H 1 UNL1111111111 0.1514 76 H 3.8243 4.3236 2.9757 H 1 UNL1111111111 0.1491 77 H -0.2298 2.8835 3.0167 H 1 UNL1111111111 0.1702 78 H 1.4158 4.6899 3.4570 H 1 UNL1111111111 0.1494 @BOND 1 1 8 ar 2 1 21 ar 3 1 46 1 4 2 12 2 5 3 14 am 6 3 47 1 7 3 48 1 8 4 22 ar 9 4 10 ar 10 4 49 1 11 5 14 2 12 6 12 am 13 6 50 1 14 6 51 1 15 7 23 ar 16 7 8 ar 17 7 52 1 18 8 14 1 19 9 10 ar 20 9 24 ar 21 9 53 1 22 10 12 1 23 11 32 1 24 11 18 1 25 11 54 1 26 11 55 1 27 13 32 1 28 13 16 2 29 13 30 1 30 13 45 2 31 15 44 2 32 15 31 1 33 15 36 1 34 15 17 2 35 18 20 ar 36 18 19 ar 37 19 33 ar 38 19 56 1 39 20 34 ar 40 20 57 1 41 21 30 ar 42 21 58 1 43 22 31 ar 44 22 59 1 45 23 30 ar 46 23 60 1 47 24 31 ar 48 24 61 1 49 25 26 1 50 25 27 1 51 25 62 1 52 25 63 1 53 26 29 1 54 26 64 1 55 27 28 1 56 27 32 1 57 27 65 1 58 28 36 1 59 28 29 1 60 28 66 1 61 29 67 1 62 29 68 1 63 33 35 ar 64 33 69 1 65 34 35 ar 66 34 70 1 67 35 71 1 68 36 37 1 69 37 38 1 70 37 72 1 71 37 73 1 72 38 42 ar 73 38 39 ar 74 39 40 ar 75 39 74 1 76 40 41 ar 77 40 75 1 78 41 43 ar 79 41 76 1 80 42 43 ar 81 42 77 1 82 43 78 1