@MOLECULE 4,4'-{(3s,4s)-3,4-pyrrolidinediylbis[(3-methyl-2-buten-1-yl)sulfamoyl]}dibenzamide 78 80 0 0 0 SMALL GASTEIGER @ATOM 1 N 5.7512 0.1468 1.0787 N.am 1 UNL1111111111 -0.6467 2 C 3.0705 2.3932 0.0454 C.ar 1 UNL1111111111 -0.1362 3 C 3.6938 1.4955 0.9154 C.ar 1 UNL1111111111 -0.0833 4 C 5.1728 1.3605 0.7766 C.2 1 UNL1111111111 0.5615 5 C -2.4322 4.3887 -2.1396 C.3 1 UNL1111111111 -0.4747 6 C 1.6943 2.5869 0.1192 C.ar 1 UNL1111111111 -0.0940 7 C -2.3599 0.0673 0.8887 C.3 1 UNL1111111111 0.0223 8 C 0.9488 1.8913 1.0694 C.ar 1 UNL1111111111 -0.3293 9 C 1.5701 1.0030 1.9402 C.ar 1 UNL1111111111 -0.0807 10 C 2.9506 0.8029 1.8653 C.ar 1 UNL1111111111 -0.1488 11 S -0.7760 2.2485 1.2289 S.O2 1 UNL1111111111 2.3223 12 O -0.9752 3.5637 0.6651 O.2 1 UNL1111111111 -0.9024 13 N -1.5556 1.0756 0.1884 N.3 1 UNL1111111111 -0.7625 14 C -2.0360 1.5886 -1.1097 C.3 1 UNL1111111111 -0.0552 15 C -3.3492 2.3093 -1.1051 C.2 1 UNL1111111111 -0.3132 16 C -3.5339 3.5434 -1.5955 C.2 1 UNL1111111111 0.1156 17 C -4.8861 4.1787 -1.6064 C.3 1 UNL1111111111 -0.4686 18 C -3.5874 0.5891 1.6961 C.3 1 UNL1111111111 -0.1747 19 N -4.5736 -0.5130 1.7648 N.3 1 UNL1111111111 -0.5216 20 O -1.1661 1.9161 2.5811 O.2 1 UNL1111111111 -0.9138 21 O 5.8684 2.2907 0.4088 O.2 1 UNL1111111111 -0.5325 22 N 4.5451 0.4339 -2.3045 N.am 1 UNL1111111111 -0.6690 23 C 2.4293 -2.4377 -1.2966 C.ar 1 UNL1111111111 -0.1186 24 O 4.9622 -1.3782 -1.0635 O.2 1 UNL1111111111 -0.5593 25 C 1.7133 -0.3662 -2.3283 C.ar 1 UNL1111111111 -0.1451 26 C 2.7240 -1.1690 -1.8025 C.ar 1 UNL1111111111 -0.1009 27 C 4.1418 -0.7339 -1.7003 C.2 1 UNL1111111111 0.5762 28 S -1.5672 -2.6387 -1.7893 S.O2 1 UNL1111111111 2.3811 29 C -1.2453 -3.3453 3.8545 C.3 1 UNL1111111111 -0.4688 30 C 1.0622 -2.3685 3.5126 C.3 1 UNL1111111111 -0.4583 31 O -2.2992 -1.8165 -2.7312 O.2 1 UNL1111111111 -0.9157 32 C 1.1142 -2.8974 -1.2993 C.ar 1 UNL1111111111 -0.0941 33 C 0.4019 -0.8370 -2.3476 C.ar 1 UNL1111111111 -0.0709 34 C -2.9797 -1.0147 -0.0632 C.3 1 UNL1111111111 0.0721 35 C -4.3765 -1.3449 0.5554 C.3 1 UNL1111111111 -0.1635 36 C 0.1070 -2.0887 -1.8169 C.ar 1 UNL1111111111 -0.3428 37 N -2.1311 -2.1845 -0.2230 N.3 1 UNL1111111111 -0.8379 38 C -1.7896 -2.9839 0.9548 C.3 1 UNL1111111111 -0.0356 39 C -0.5060 -2.5571 1.6119 C.2 1 UNL1111111111 -0.2898 40 C -0.2487 -2.7570 2.9115 C.2 1 UNL1111111111 0.0679 41 O -1.5585 -4.0786 -1.8451 O.2 1 UNL1111111111 -0.8896 42 H 5.2135 -0.6938 1.1536 H 1 UNL1111111111 0.3122 43 H 6.7270 0.0140 0.8746 H 1 UNL1111111111 0.3160 44 H 3.6725 2.9630 -0.6647 H 1 UNL1111111111 0.1712 45 H -1.8174 3.8557 -2.8743 H 1 UNL1111111111 0.1462 46 H -2.7899 5.3042 -2.6228 H 1 UNL1111111111 0.1455 47 H -1.7623 4.7005 -1.3113 H 1 UNL1111111111 0.1979 48 H 1.2203 3.3130 -0.5502 H 1 UNL1111111111 0.1745 49 H -1.6621 -0.4472 1.6078 H 1 UNL1111111111 0.1629 50 H 0.9936 0.4692 2.7054 H 1 UNL1111111111 0.1742 51 H 3.4380 0.1256 2.5673 H 1 UNL1111111111 0.1613 52 H -1.2276 2.2279 -1.5402 H 1 UNL1111111111 0.1419 53 H -2.1172 0.7146 -1.8143 H 1 UNL1111111111 0.1565 54 H -4.1815 1.7351 -0.7031 H 1 UNL1111111111 0.1580 55 H -5.1801 4.4735 -2.6225 H 1 UNL1111111111 0.1555 56 H -5.6733 3.5199 -1.2156 H 1 UNL1111111111 0.1576 57 H -4.8940 5.0887 -0.9863 H 1 UNL1111111111 0.1632 58 H -3.3012 0.9348 2.7104 H 1 UNL1111111111 0.1690 59 H -4.0706 1.4545 1.1956 H 1 UNL1111111111 0.1603 60 H -4.4493 -1.0591 2.6131 H 1 UNL1111111111 0.2446 61 H 5.4891 0.7573 -2.1698 H 1 UNL1111111111 0.3301 62 H 3.9341 1.0338 -2.8129 H 1 UNL1111111111 0.3049 63 H 3.2343 -3.0634 -0.9005 H 1 UNL1111111111 0.1815 64 H 1.9256 0.6257 -2.7203 H 1 UNL1111111111 0.1487 65 H -0.8149 -3.5903 4.8350 H 1 UNL1111111111 0.1598 66 H -2.0672 -2.6377 4.0417 H 1 UNL1111111111 0.1597 67 H -1.6883 -4.2716 3.4641 H 1 UNL1111111111 0.1584 68 H 1.3953 -3.0892 4.2724 H 1 UNL1111111111 0.1567 69 H 1.8642 -2.2979 2.7645 H 1 UNL1111111111 0.1515 70 H 0.9837 -1.3889 4.0114 H 1 UNL1111111111 0.1638 71 H 0.8927 -3.8898 -0.8881 H 1 UNL1111111111 0.1795 72 H -0.3828 -0.2123 -2.7907 H 1 UNL1111111111 0.1791 73 H -3.1703 -0.5604 -1.0775 H 1 UNL1111111111 0.1788 74 H -4.5033 -2.4202 0.7648 H 1 UNL1111111111 0.1383 75 H -5.1783 -1.0738 -0.1668 H 1 UNL1111111111 0.1551 76 H -2.6335 -2.9378 1.6850 H 1 UNL1111111111 0.1412 77 H -1.7094 -4.0660 0.6681 H 1 UNL1111111111 0.1618 78 H 0.2185 -2.0764 0.9589 H 1 UNL1111111111 0.1619 @BOND 1 1 4 am 2 1 42 1 3 1 43 1 4 2 3 ar 5 2 6 ar 6 2 44 1 7 3 4 1 8 3 10 ar 9 4 21 2 10 5 16 1 11 5 45 1 12 5 46 1 13 5 47 1 14 6 8 ar 15 6 48 1 16 7 13 1 17 7 18 1 18 7 34 1 19 7 49 1 20 8 9 ar 21 8 11 1 22 9 10 ar 23 9 50 1 24 10 51 1 25 11 12 2 26 11 13 1 27 11 20 2 28 13 14 1 29 14 15 1 30 14 52 1 31 14 53 1 32 15 16 2 33 15 54 1 34 16 17 1 35 17 55 1 36 17 56 1 37 17 57 1 38 18 19 1 39 18 58 1 40 18 59 1 41 19 35 1 42 19 60 1 43 22 27 am 44 22 61 1 45 22 62 1 46 23 26 ar 47 23 32 ar 48 23 63 1 49 24 27 2 50 25 26 ar 51 25 33 ar 52 25 64 1 53 26 27 1 54 28 31 2 55 28 36 1 56 28 37 1 57 28 41 2 58 29 40 1 59 29 65 1 60 29 66 1 61 29 67 1 62 30 40 1 63 30 68 1 64 30 69 1 65 30 70 1 66 32 36 ar 67 32 71 1 68 33 36 ar 69 33 72 1 70 34 35 1 71 34 37 1 72 34 73 1 73 35 74 1 74 35 75 1 75 37 38 1 76 38 39 1 77 38 76 1 78 38 77 1 79 39 40 2 80 39 78 1