@MOLECULE n-{n'-[4-amino-5-(2-cyano-1-pyrrolidinyl)-5-oxopentyl]carbamimidoyl}-1,1,3,3,4,4,5,7,8-nonamethyl-3,4-dihydro-1h-isochromene-6-sulfonamide 86 88 0 0 0 SMALL GASTEIGER @ATOM 1 S 3.7971 2.2552 -0.0811 S.O2 1 UNL11 2.4172 2 O 0.9075 -3.8421 -0.1809 O.3 1 UNL11 -0.4703 3 O 3.9089 3.0866 -1.2517 O.2 1 UNL11 -0.8865 4 O 5.0171 1.8352 0.5804 O.2 1 UNL11 -0.9198 5 O -5.4049 0.9437 -1.7552 O.2 1 UNL11 -0.5439 6 N 3.1097 3.2858 1.1887 N.pl3 1 UNL11 -0.8714 7 N -4.8658 -0.1099 0.1462 N.am 1 UNL11 -0.5260 8 N 0.9517 3.0619 0.4183 N.pl3 1 UNL11 -0.6157 9 N 1.3994 4.4406 2.3676 N.pl3 1 UNL11 -0.6991 10 N -2.8644 1.1708 -2.7276 N.3 1 UNL11 -0.6183 11 N -7.3058 1.6257 1.7706 N.1 1 UNL11 -0.2335 12 C 2.4363 -2.6112 1.1897 C.3 1 UNL11 0.0428 13 C 2.2316 -3.8838 0.3036 C.3 1 UNL11 0.2969 14 C 2.1514 -1.3840 0.3417 C.ar 1 UNL11 -0.1066 15 C 0.5207 -2.7605 -1.0114 C.3 1 UNL11 0.3105 16 C 1.3161 -1.4881 -0.7848 C.ar 1 UNL11 -0.0458 17 C 1.4368 -2.6475 2.3578 C.3 1 UNL11 -0.4594 18 C 3.8876 -2.6446 1.7028 C.3 1 UNL11 -0.4589 19 C 2.7137 -0.1364 0.6525 C.ar 1 UNL11 0.1270 20 C 2.2227 -5.2008 1.0993 C.3 1 UNL11 -0.4683 21 C 3.2482 -3.9695 -0.8403 C.3 1 UNL11 -0.5074 22 C 1.1800 -0.4062 -1.6605 C.ar 1 UNL11 -0.0570 23 C 0.6210 -3.3107 -2.4458 C.3 1 UNL11 -0.4917 24 C -0.9418 -2.5439 -0.5642 C.3 1 UNL11 -0.4721 25 C 2.7548 0.8694 -0.3304 C.ar 1 UNL11 -0.4446 26 C 1.9938 0.7344 -1.4966 C.ar 1 UNL11 0.1505 27 C 3.2187 0.1653 2.0245 C.3 1 UNL11 -0.4848 28 C 0.1960 -0.4023 -2.7843 C.3 1 UNL11 -0.4501 29 C 2.0115 1.7816 -2.5563 C.3 1 UNL11 -0.4777 30 C -6.2754 -0.3937 0.4600 C.3 1 UNL11 0.1177 31 C -6.2432 -1.6592 1.3513 C.3 1 UNL11 -0.2852 32 C -4.8362 -1.6798 1.9724 C.3 1 UNL11 -0.2822 33 C -3.9453 -0.8393 1.0325 C.3 1 UNL11 -0.0509 34 C 1.7553 3.6109 1.2758 C.cat 1 UNL11 0.5734 35 C -4.5266 0.5641 -1.0051 C.2 1 UNL11 0.5153 36 C -3.0430 0.8319 -1.3059 C.3 1 UNL11 -0.0077 37 C -2.5537 1.9804 -0.4022 C.3 1 UNL11 -0.2940 38 C -1.0285 2.0523 -0.4420 C.3 1 UNL11 -0.2587 39 C -0.4946 3.1830 0.4621 C.3 1 UNL11 -0.0612 40 C -6.8527 0.7348 1.1915 C.1 1 UNL11 0.0789 41 H 0.4371 -2.9313 2.0010 H 1 UNL11 0.1604 42 H 1.3409 -1.6702 2.8424 H 1 UNL11 0.1472 43 H 1.7346 -3.3739 3.1199 H 1 UNL11 0.1454 44 H 4.2592 -3.6687 1.8168 H 1 UNL11 0.1432 45 H 4.5665 -2.1285 1.0120 H 1 UNL11 0.1622 46 H 3.9936 -2.1785 2.6870 H 1 UNL11 0.1499 47 H 1.3264 -5.2705 1.7283 H 1 UNL11 0.1588 48 H 3.1012 -5.2944 1.7416 H 1 UNL11 0.1512 49 H 2.1972 -6.0599 0.4189 H 1 UNL11 0.1554 50 H 4.2369 -4.2648 -0.4755 H 1 UNL11 0.1570 51 H 3.3623 -3.0101 -1.3575 H 1 UNL11 0.1587 52 H 2.9301 -4.7103 -1.5828 H 1 UNL11 0.1593 53 H 1.5126 -2.9432 -2.9619 H 1 UNL11 0.1529 54 H -0.2535 -3.0671 -3.0544 H 1 UNL11 0.1547 55 H 0.6882 -4.4084 -2.4145 H 1 UNL11 0.1674 56 H -1.4932 -1.9154 -1.2681 H 1 UNL11 0.1500 57 H -0.9675 -2.0771 0.4270 H 1 UNL11 0.1515 58 H -1.4518 -3.5138 -0.4891 H 1 UNL11 0.1656 59 H 4.3239 0.2088 2.0634 H 1 UNL11 0.1993 60 H 2.8375 1.1276 2.4009 H 1 UNL11 0.1691 61 H 2.8985 -0.5657 2.7778 H 1 UNL11 0.1611 62 H -0.6212 -1.1218 -2.6691 H 1 UNL11 0.1524 63 H 0.6817 -0.6114 -3.7467 H 1 UNL11 0.1513 64 H -0.3198 0.5746 -2.8723 H 1 UNL11 0.1868 65 H 1.6649 2.7573 -2.1605 H 1 UNL11 0.1963 66 H 3.0263 1.9599 -2.9555 H 1 UNL11 0.1895 67 H 1.3858 1.5668 -3.4281 H 1 UNL11 0.1544 68 H 3.7568 3.7225 1.8339 H 1 UNL11 0.3268 69 H -6.8580 -0.5590 -0.4947 H 1 UNL11 0.1900 70 H -7.0334 -1.6452 2.1199 H 1 UNL11 0.1600 71 H -6.4212 -2.5619 0.7402 H 1 UNL11 0.1571 72 H -4.4550 -2.7083 2.0796 H 1 UNL11 0.1534 73 H -4.8510 -1.2466 2.9887 H 1 UNL11 0.1523 74 H -3.3172 -0.1207 1.6030 H 1 UNL11 0.1468 75 H -3.2668 -1.4884 0.4361 H 1 UNL11 0.1423 76 H -2.4382 -0.0947 -1.1100 H 1 UNL11 0.1622 77 H -2.9966 2.9424 -0.7287 H 1 UNL11 0.1557 78 H -2.9061 1.8296 0.6360 H 1 UNL11 0.1452 79 H -0.6733 2.2116 -1.4819 H 1 UNL11 0.1693 80 H -0.5742 1.0892 -0.1313 H 1 UNL11 0.1598 81 H -0.8242 4.1723 0.0755 H 1 UNL11 0.1228 82 H -0.9039 3.0734 1.4902 H 1 UNL11 0.1200 83 H 0.5341 4.9393 2.2947 H 1 UNL11 0.2945 84 H 2.1137 4.9555 2.8414 H 1 UNL11 0.2894 85 H -3.3593 0.5243 -3.3283 H 1 UNL11 0.2580 86 H -3.2064 2.1005 -2.9334 H 1 UNL11 0.2618 @BOND 1 1 3 2 2 1 4 2 3 1 6 1 4 1 25 1 5 2 13 1 6 2 15 1 7 5 35 2 8 6 34 1 9 6 68 1 10 7 30 1 11 7 33 1 12 7 35 am 13 8 34 2 14 8 39 1 15 9 34 1 16 9 83 1 17 9 84 1 18 10 36 1 19 10 85 1 20 10 86 1 21 11 40 3 22 12 13 1 23 12 14 1 24 12 17 1 25 12 18 1 26 13 20 1 27 13 21 1 28 14 16 ar 29 14 19 ar 30 15 16 1 31 15 23 1 32 15 24 1 33 16 22 ar 34 17 41 1 35 17 42 1 36 17 43 1 37 18 44 1 38 18 45 1 39 18 46 1 40 19 25 ar 41 19 27 1 42 20 47 1 43 20 48 1 44 20 49 1 45 21 50 1 46 21 51 1 47 21 52 1 48 22 26 ar 49 22 28 1 50 23 53 1 51 23 54 1 52 23 55 1 53 24 56 1 54 24 57 1 55 24 58 1 56 25 26 ar 57 26 29 1 58 27 59 1 59 27 60 1 60 27 61 1 61 28 62 1 62 28 63 1 63 28 64 1 64 29 65 1 65 29 66 1 66 29 67 1 67 30 31 1 68 30 40 1 69 30 69 1 70 31 32 1 71 31 70 1 72 31 71 1 73 32 33 1 74 32 72 1 75 32 73 1 76 33 74 1 77 33 75 1 78 35 36 1 79 36 37 1 80 36 76 1 81 37 38 1 82 37 77 1 83 37 78 1 84 38 39 1 85 38 79 1 86 38 80 1 87 39 81 1 88 39 82 1