@MOLECULE (6r,11as,19as)-6-benzyldodecahydro-5h,11h-dipyrrolo[2,1-c:2',1'-i][1,4,7,10,13]thiatetraazacyclopentadecine-5,8,16,19(9h)-tetrone 62 65 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.0616 2.6110 -0.7565 S.3 1 UNL1111111111 0.0331 2 O -2.0012 -3.9458 0.5638 O.2 1 UNL1111111111 -0.5416 3 O 1.0697 -1.4209 2.1854 O.2 1 UNL1111111111 -0.5006 4 O -2.2311 -0.1529 1.3058 O.2 1 UNL1111111111 -0.5359 5 O 0.3532 0.6222 -1.4028 O.2 1 UNL1111111111 -0.5539 6 N -4.0781 0.4742 0.1863 N.am 1 UNL1111111111 -0.5142 7 N 1.2398 -2.3691 0.1516 N.am 1 UNL1111111111 -0.5250 8 N -1.4475 -2.0163 -0.4917 N.am 1 UNL1111111111 -0.5508 9 N 1.2404 1.0574 0.6226 N.am 1 UNL1111111111 -0.5927 10 C -4.1586 1.7690 0.8890 C.3 1 UNL1111111111 0.1279 11 C 0.3466 -3.4869 0.4668 C.3 1 UNL1111111111 0.0301 12 C -5.3028 2.5535 0.1995 C.3 1 UNL1111111111 -0.3043 13 C 0.7667 -4.6033 -0.5109 C.3 1 UNL1111111111 -0.2789 14 C -5.9430 1.5945 -0.8192 C.3 1 UNL1111111111 -0.2753 15 C -4.9378 0.4411 -1.0069 C.3 1 UNL1111111111 -0.0579 16 C 1.3289 -3.8589 -1.7362 C.3 1 UNL1111111111 -0.2820 17 C 1.7632 -2.4669 -1.2233 C.3 1 UNL1111111111 -0.0589 18 C -2.8291 2.5445 0.9089 C.3 1 UNL1111111111 -0.3854 19 C -1.1416 -3.1588 0.2235 C.2 1 UNL1111111111 0.5554 20 C 1.4424 -1.3372 1.0349 C.2 1 UNL1111111111 0.5325 21 C -2.9964 -0.3587 0.3845 C.2 1 UNL1111111111 0.5565 22 C 2.1561 -0.0780 0.5093 C.3 1 UNL1111111111 0.0243 23 C -2.8332 -1.5628 -0.5418 C.3 1 UNL1111111111 -0.1530 24 C 3.4186 0.1499 1.3671 C.3 1 UNL1111111111 -0.3047 25 C -0.2774 2.7022 -0.3646 C.3 1 UNL1111111111 -0.4194 26 C 0.3929 1.3542 -0.4330 C.2 1 UNL1111111111 0.6131 27 C 4.4074 0.9733 0.6026 C.ar 1 UNL1111111111 0.0188 28 C 5.2742 0.3532 -0.3008 C.ar 1 UNL1111111111 -0.1756 29 C 4.4497 2.3588 0.7657 C.ar 1 UNL1111111111 -0.1627 30 C 6.1729 1.1170 -1.0409 C.ar 1 UNL1111111111 -0.1353 31 C 5.3487 3.1206 0.0219 C.ar 1 UNL1111111111 -0.1404 32 C 6.2091 2.5017 -0.8835 C.ar 1 UNL1111111111 -0.1643 33 H -4.4345 1.5421 1.9579 H 1 UNL1111111111 0.1547 34 H 0.4552 -3.7798 1.5453 H 1 UNL1111111111 0.1901 35 H -4.9342 3.4647 -0.2997 H 1 UNL1111111111 0.1515 36 H -6.0415 2.8954 0.9424 H 1 UNL1111111111 0.1444 37 H -0.0808 -5.2601 -0.7728 H 1 UNL1111111111 0.1645 38 H 1.5324 -5.2516 -0.0517 H 1 UNL1111111111 0.1499 39 H -6.9090 1.2136 -0.4451 H 1 UNL1111111111 0.1456 40 H -6.1552 2.1020 -1.7732 H 1 UNL1111111111 0.1426 41 H -4.3448 0.5788 -1.9379 H 1 UNL1111111111 0.1376 42 H -5.4510 -0.5421 -1.0668 H 1 UNL1111111111 0.1399 43 H 0.5563 -3.7594 -2.5191 H 1 UNL1111111111 0.1510 44 H 2.1695 -4.4029 -2.1908 H 1 UNL1111111111 0.1420 45 H 2.8677 -2.3677 -1.2142 H 1 UNL1111111111 0.1329 46 H 1.3452 -1.6532 -1.8606 H 1 UNL1111111111 0.1590 47 H -2.1352 2.0487 1.6234 H 1 UNL1111111111 0.1949 48 H -2.9949 3.5680 1.2846 H 1 UNL1111111111 0.1581 49 H 2.4513 -0.1845 -0.5716 H 1 UNL1111111111 0.1800 50 H -3.5303 -2.3807 -0.2217 H 1 UNL1111111111 0.2011 51 H -3.0790 -1.3059 -1.5990 H 1 UNL1111111111 0.1620 52 H -0.7486 -1.2868 -0.6145 H 1 UNL1111111111 0.3326 53 H 3.1493 0.6199 2.3365 H 1 UNL1111111111 0.1724 54 H 3.8589 -0.8286 1.6576 H 1 UNL1111111111 0.1700 55 H 1.1112 1.4466 1.5446 H 1 UNL1111111111 0.3249 56 H -0.1085 3.2247 0.5930 H 1 UNL1111111111 0.1746 57 H 0.1833 3.3478 -1.1502 H 1 UNL1111111111 0.2016 58 H 5.2486 -0.7268 -0.4282 H 1 UNL1111111111 0.1509 59 H 3.7764 2.8471 1.4665 H 1 UNL1111111111 0.1517 60 H 6.8486 0.6338 -1.7433 H 1 UNL1111111111 0.1461 61 H 5.3782 4.2003 0.1465 H 1 UNL1111111111 0.1462 62 H 6.9069 3.0978 -1.4664 H 1 UNL1111111111 0.1483 @BOND 1 1 18 1 2 1 25 1 3 2 19 2 4 3 20 2 5 4 21 2 6 5 26 2 7 6 10 1 8 6 15 1 9 6 21 am 10 7 11 1 11 7 17 1 12 7 20 am 13 8 19 am 14 8 23 1 15 8 52 1 16 9 22 1 17 9 26 am 18 9 55 1 19 10 12 1 20 10 18 1 21 10 33 1 22 11 13 1 23 11 19 1 24 11 34 1 25 12 14 1 26 12 35 1 27 12 36 1 28 13 16 1 29 13 37 1 30 13 38 1 31 14 15 1 32 14 39 1 33 14 40 1 34 15 41 1 35 15 42 1 36 16 17 1 37 16 43 1 38 16 44 1 39 17 45 1 40 17 46 1 41 18 47 1 42 18 48 1 43 20 22 1 44 21 23 1 45 22 24 1 46 22 49 1 47 23 50 1 48 23 51 1 49 24 27 1 50 24 53 1 51 24 54 1 52 25 26 1 53 25 56 1 54 25 57 1 55 27 28 ar 56 27 29 ar 57 28 30 ar 58 28 58 1 59 29 31 ar 60 29 59 1 61 30 32 ar 62 30 60 1 63 31 32 ar 64 31 61 1 65 32 62 1