@MOLECULE 5,10-bis[(4-methylphenyl)sulfonyl]-5,6,7,8,9,10,15,17-octahydrodibenzo[c,k][1,5,10]oxadiazacyclotridecine 75 79 0 0 0 SMALL GASTEIGER @ATOM 1 S -4.0755 1.1777 0.5438 S.O2 1 UNL11 2.3403 2 S 2.3645 0.4988 1.9638 S.O2 1 UNL11 2.3308 3 O -0.0847 -1.0903 -1.9654 O.3 1 UNL11 -0.3902 4 O -4.3953 1.5670 1.8999 O.2 1 UNL11 -0.9063 5 O -5.0978 1.1110 -0.4712 O.2 1 UNL11 -0.8933 6 O 3.1258 -0.0030 3.0842 O.2 1 UNL11 -0.9103 7 O 1.4678 1.6219 2.1275 O.2 1 UNL11 -0.8944 8 N -3.3153 -0.4000 0.6753 N.pl3 1 UNL11 -0.7816 9 N 1.3816 -0.8480 1.3822 N.pl3 1 UNL11 -0.7357 10 C -1.9753 -1.7922 2.2259 C.3 1 UNL11 -0.2938 11 C -0.8402 -0.7963 2.4933 C.3 1 UNL11 -0.2730 12 C -3.3221 -1.0782 1.9877 C.3 1 UNL11 -0.0521 13 C 0.5325 -1.4943 2.4217 C.3 1 UNL11 -0.0806 14 C -3.4377 -1.2894 -0.4416 C.ar 1 UNL11 0.1492 15 C 2.0503 -1.8069 0.5498 C.ar 1 UNL11 0.1494 16 C -2.3214 -1.4710 -1.2805 C.ar 1 UNL11 -0.0401 17 C 1.9314 -1.7433 -0.8473 C.ar 1 UNL11 -0.0551 18 C -2.7331 2.1372 -0.0448 C.ar 1 UNL11 -0.4088 19 C 3.4417 0.8304 0.6239 C.ar 1 UNL11 -0.4183 20 C -1.0597 -0.7302 -0.9886 C.3 1 UNL11 -0.0637 21 C 1.2090 -0.6524 -1.5900 C.3 1 UNL11 -0.0420 22 C -4.6252 -1.9825 -0.7000 C.ar 1 UNL11 -0.1708 23 C 2.7998 -2.8406 1.1380 C.ar 1 UNL11 -0.2184 24 C -2.4093 -2.3484 -2.3586 C.ar 1 UNL11 -0.1433 25 C 2.5195 -2.7483 -1.6217 C.ar 1 UNL11 -0.1298 26 C -4.6973 -2.8573 -1.7807 C.ar 1 UNL11 -0.1489 27 C 3.3912 -3.8191 0.3507 C.ar 1 UNL11 -0.1281 28 C -2.6967 2.5445 -1.3784 C.ar 1 UNL11 -0.0584 29 C 4.6459 0.1361 0.5059 C.ar 1 UNL11 -0.0420 30 C -1.6765 2.4502 0.8095 C.ar 1 UNL11 -0.0350 31 C 3.0915 1.7856 -0.3285 C.ar 1 UNL11 -0.0513 32 C -3.5913 -3.0430 -2.6069 C.ar 1 UNL11 -0.1562 33 C 3.2420 -3.7810 -1.0350 C.ar 1 UNL11 -0.1686 34 C -1.5965 3.2476 -1.8594 C.ar 1 UNL11 -0.2253 35 C 5.4786 0.3692 -0.5839 C.ar 1 UNL11 -0.2206 36 C -0.5704 3.1460 0.3263 C.ar 1 UNL11 -0.1986 37 C 3.9234 2.0209 -1.4193 C.ar 1 UNL11 -0.2224 38 C -0.5262 3.5472 -1.0095 C.ar 1 UNL11 0.0825 39 C 5.1168 1.3067 -1.5572 C.ar 1 UNL11 0.1111 40 C 0.6486 4.2953 -1.5415 C.3 1 UNL11 -0.4772 41 C 6.0050 1.5324 -2.7305 C.3 1 UNL11 -0.4758 42 H -1.7365 -2.4217 1.3451 H 1 UNL11 0.1515 43 H -2.0805 -2.4891 3.0767 H 1 UNL11 0.1311 44 H -0.8849 0.0361 1.7557 H 1 UNL11 0.1807 45 H -0.9747 -0.3103 3.4760 H 1 UNL11 0.1420 46 H -4.1511 -1.8184 2.0551 H 1 UNL11 0.1221 47 H -3.4948 -0.3337 2.8027 H 1 UNL11 0.1685 48 H 1.0251 -1.4871 3.4203 H 1 UNL11 0.1388 49 H 0.3941 -2.5711 2.1707 H 1 UNL11 0.1430 50 H -1.2030 0.3675 -1.0528 H 1 UNL11 0.1437 51 H -0.6788 -0.9887 0.0224 H 1 UNL11 0.1752 52 H 1.1623 0.2946 -1.0232 H 1 UNL11 0.1370 53 H 1.6853 -0.4422 -2.5700 H 1 UNL11 0.1382 54 H -5.4986 -1.8241 -0.0690 H 1 UNL11 0.1635 55 H 2.9206 -2.8725 2.2219 H 1 UNL11 0.1706 56 H -1.5447 -2.4929 -3.0083 H 1 UNL11 0.1680 57 H 2.3982 -2.7230 -2.7055 H 1 UNL11 0.1563 58 H -5.6230 -3.3918 -1.9822 H 1 UNL11 0.1480 59 H 3.9672 -4.6174 0.8152 H 1 UNL11 0.1501 60 H -3.5257 2.3139 -2.0590 H 1 UNL11 0.1764 61 H 4.9504 -0.5970 1.2624 H 1 UNL11 0.1709 62 H -1.6901 2.1560 1.8662 H 1 UNL11 0.1739 63 H 2.1613 2.3609 -0.2304 H 1 UNL11 0.1726 64 H -3.6496 -3.7272 -3.4503 H 1 UNL11 0.1484 65 H 3.6887 -4.5558 -1.6539 H 1 UNL11 0.1520 66 H -1.5683 3.5623 -2.8992 H 1 UNL11 0.1522 67 H 6.4112 -0.1820 -0.6809 H 1 UNL11 0.1583 68 H 0.2603 3.3586 1.0046 H 1 UNL11 0.1845 69 H 3.6434 2.7611 -2.1646 H 1 UNL11 0.1539 70 H 1.3954 4.5244 -0.7684 H 1 UNL11 0.1596 71 H 1.1578 3.7307 -2.3361 H 1 UNL11 0.1596 72 H 0.3448 5.2588 -1.9781 H 1 UNL11 0.1613 73 H 5.6457 2.3275 -3.3975 H 1 UNL11 0.1593 74 H 7.0230 1.8132 -2.4195 H 1 UNL11 0.1662 75 H 6.0985 0.6206 -3.3418 H 1 UNL11 0.1692 @BOND 1 1 4 2 2 1 5 2 3 1 8 1 4 1 18 1 5 2 6 2 6 2 7 2 7 2 9 1 8 2 19 1 9 3 20 1 10 3 21 1 11 8 12 1 12 8 14 1 13 9 13 1 14 9 15 1 15 10 11 1 16 10 12 1 17 10 42 1 18 10 43 1 19 11 13 1 20 11 44 1 21 11 45 1 22 12 46 1 23 12 47 1 24 13 48 1 25 13 49 1 26 14 16 ar 27 14 22 ar 28 15 17 ar 29 15 23 ar 30 16 20 1 31 16 24 ar 32 17 21 1 33 17 25 ar 34 18 28 ar 35 18 30 ar 36 19 29 ar 37 19 31 ar 38 20 50 1 39 20 51 1 40 21 52 1 41 21 53 1 42 22 26 ar 43 22 54 1 44 23 27 ar 45 23 55 1 46 24 32 ar 47 24 56 1 48 25 33 ar 49 25 57 1 50 26 32 ar 51 26 58 1 52 27 33 ar 53 27 59 1 54 28 34 ar 55 28 60 1 56 29 35 ar 57 29 61 1 58 30 36 ar 59 30 62 1 60 31 37 ar 61 31 63 1 62 32 64 1 63 33 65 1 64 34 38 ar 65 34 66 1 66 35 39 ar 67 35 67 1 68 36 38 ar 69 36 68 1 70 37 39 ar 71 37 69 1 72 38 40 1 73 39 41 1 74 40 70 1 75 40 71 1 76 40 72 1 77 41 73 1 78 41 74 1 79 41 75 1