@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 -2.0082 2.9168 0.5852 S.3 1 UNL111111111 0.0414 2 O -2.0155 -3.9155 -0.7453 O.2 1 UNL111111111 -0.5312 3 O 0.8409 -1.2523 -2.0702 O.2 1 UNL111111111 -0.4945 4 O -2.4076 -0.3427 -1.3194 O.2 1 UNL111111111 -0.5334 5 O 0.2794 0.9255 1.3621 O.2 1 UNL111111111 -0.5422 6 N -3.9222 0.5156 0.0783 N.am 1 UNL111111111 -0.5191 7 N 1.1892 -2.3470 -0.1378 N.am 1 UNL111111111 -0.5291 8 N -1.5030 -2.1259 0.5557 N.am 1 UNL111111111 -0.5511 9 N 1.2932 1.1731 -0.6342 N.am 1 UNL111111111 -0.5939 10 C -4.1173 1.6941 -0.7859 C.3 1 UNL111111111 0.1301 11 C 0.3231 -3.4659 -0.5171 C.3 1 UNL111111111 0.0289 12 C -5.2479 2.5044 -0.1063 C.3 1 UNL111111111 -0.3030 13 C 0.7305 -4.6187 0.4224 C.3 1 UNL111111111 -0.2792 14 C -5.9575 1.5160 0.8364 C.3 1 UNL111111111 -0.2806 15 C -4.9002 0.4422 1.1693 C.3 1 UNL111111111 -0.0495 16 C 1.3039 -3.9284 1.6741 C.3 1 UNL111111111 -0.2806 17 C 1.7363 -2.5144 1.2203 C.3 1 UNL111111111 -0.0535 18 C -2.8165 2.4811 -1.0029 C.3 1 UNL111111111 -0.3779 19 C -1.1718 -3.1702 -0.2944 C.2 1 UNL111111111 0.5573 20 C 1.3045 -1.2440 -0.9504 C.2 1 UNL111111111 0.5262 21 C -3.0547 -0.4768 -0.2984 C.2 1 UNL111111111 0.5448 22 C 2.0867 -0.0340 -0.4140 C.3 1 UNL111111111 0.0270 23 C -2.8979 -1.6992 0.6018 C.3 1 UNL111111111 -0.1557 24 C 3.4131 -0.0042 -1.2021 C.3 1 UNL111111111 -0.3091 25 C -0.2307 2.9344 0.1456 C.3 1 UNL111111111 -0.4202 26 C 0.4012 1.5820 0.3479 C.2 1 UNL111111111 0.6071 27 C 4.4445 0.8165 -0.4959 C.ar 1 UNL111111111 0.0187 28 C 4.5446 2.1838 -0.7598 C.ar 1 UNL111111111 -0.1602 29 C 5.3181 0.2167 0.4143 C.ar 1 UNL111111111 -0.1739 30 C 5.5172 2.9469 -0.1187 C.ar 1 UNL111111111 -0.1408 31 C 6.2898 0.9841 1.0531 C.ar 1 UNL111111111 -0.1367 32 C 6.3918 2.3489 0.7875 C.ar 1 UNL111111111 -0.1634 33 H -4.4602 1.3286 -1.7972 H 1 UNL111111111 0.1496 34 H 0.4623 -3.7065 -1.6053 H 1 UNL111111111 0.1897 35 H -5.9389 2.9236 -0.8525 H 1 UNL111111111 0.1437 36 H -4.8517 3.3622 0.4618 H 1 UNL111111111 0.1558 37 H 1.4822 -5.2681 -0.0552 H 1 UNL111111111 0.1496 38 H -0.1288 -5.2694 0.6633 H 1 UNL111111111 0.1635 39 H -6.3344 2.0129 1.7427 H 1 UNL111111111 0.1438 40 H -6.8297 1.0587 0.3378 H 1 UNL111111111 0.1447 41 H -4.3966 0.6541 2.1392 H 1 UNL111111111 0.1444 42 H -5.3535 -0.5685 1.2283 H 1 UNL111111111 0.1323 43 H 0.5402 -3.8677 2.4691 H 1 UNL111111111 0.1511 44 H 2.1494 -4.4924 2.0921 H 1 UNL111111111 0.1418 45 H 1.3482 -1.7272 1.9025 H 1 UNL111111111 0.1498 46 H 2.8434 -2.4230 1.1886 H 1 UNL111111111 0.1340 47 H -2.1242 1.8608 -1.6164 H 1 UNL111111111 0.1975 48 H -3.0268 3.3960 -1.5828 H 1 UNL111111111 0.1584 49 H 2.2975 -0.1200 0.6869 H 1 UNL111111111 0.1814 50 H -3.1688 -1.4946 1.6618 H 1 UNL111111111 0.1610 51 H -3.5733 -2.5193 0.2363 H 1 UNL111111111 0.2002 52 H -0.8250 -1.3904 0.7368 H 1 UNL111111111 0.3256 53 H 3.2352 0.3690 -2.2342 H 1 UNL111111111 0.1737 54 H 3.7786 -1.0448 -1.3505 H 1 UNL111111111 0.1671 55 H 1.2507 1.5226 -1.5790 H 1 UNL111111111 0.3222 56 H 0.2519 3.6470 0.8563 H 1 UNL111111111 0.2003 57 H -0.0678 3.3519 -0.8616 H 1 UNL111111111 0.1730 58 H 3.8628 2.6542 -1.4655 H 1 UNL111111111 0.1524 59 H 5.2456 -0.8484 0.6203 H 1 UNL111111111 0.1497 60 H 5.5958 4.0121 -0.3260 H 1 UNL111111111 0.1466 61 H 6.9736 0.5164 1.7584 H 1 UNL111111111 0.1458 62 H 7.1521 2.9469 1.2847 H 1 UNL111111111 0.1485 @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