@MOLECULE (1s,9r,11s,12z,14z,19z,22r)-9,11-dihydroxy-22-methyl-6,23-dioxa-26-thia-2,17,27-triazatricyclo[17.5.2.1~4,7~]heptacosa-4,7(27),12,14,19-pentaene-3,18,24-trione 60 62 0 0 0 SMALL GASTEIGER @ATOM 1 S 3.7867 -0.5903 -1.7322 S.3 1 UNL111111111 0.0878 2 O 3.7051 1.3145 0.8765 O.3 1 UNL111111111 -0.4091 3 O -4.0939 -0.0069 -1.2801 O.3 1 UNL111111111 -0.5613 4 O -3.3048 3.9427 0.0498 O.2 1 UNL111111111 -0.2349 5 O -6.1789 -2.8424 0.8025 O.3 1 UNL111111111 -0.5523 6 O 1.7839 0.2302 1.3229 O.2 1 UNL111111111 -0.5480 7 O 1.0199 4.0285 -0.5798 O.2 1 UNL111111111 -0.5050 8 O 2.5388 -3.6095 -1.3976 O.2 1 UNL111111111 -0.4998 9 N 0.6352 1.7905 -0.7241 N.am 1 UNL111111111 -0.5809 10 N -2.0439 2.1139 -0.2253 N.ar 1 UNL111111111 -0.4294 11 N 1.2919 -2.5344 0.1579 N.am 1 UNL111111111 -0.6087 12 C -4.2452 0.2858 0.0942 C.3 1 UNL111111111 0.1889 13 C -5.4203 -0.5674 0.5660 C.3 1 UNL111111111 -0.3680 14 C -4.5208 1.8086 0.2064 C.3 1 UNL111111111 -0.3475 15 C 2.0419 1.4239 -0.7963 C.3 1 UNL111111111 0.0370 16 C -5.0517 -2.0633 0.4542 C.3 1 UNL111111111 0.1685 17 C 4.4063 0.5921 1.9062 C.3 1 UNL111111111 0.1691 18 C 5.1328 -0.5672 1.1937 C.3 1 UNL111111111 -0.3488 19 C 2.1926 0.2995 -1.8354 C.3 1 UNL111111111 -0.3606 20 C -3.2647 2.5451 0.0040 C.ar 1 UNL111111111 0.3104 21 C 2.4588 0.9022 0.5827 C.2 1 UNL111111111 0.5821 22 C 4.1494 -1.6171 0.7969 C.2 1 UNL111111111 -0.0303 23 C 5.3761 1.6104 2.4856 C.3 1 UNL111111111 -0.4787 24 C 3.4808 -1.6651 -0.3603 C.2 1 UNL111111111 -0.2691 25 C -3.8997 -2.4281 1.3450 C.2 1 UNL111111111 -0.2170 26 C -1.2161 3.2546 -0.3317 C.ar 1 UNL111111111 -0.0852 27 C 0.2362 3.1038 -0.5448 C.2 1 UNL111111111 0.6180 28 C -2.0084 4.3632 -0.1677 C.ar 1 UNL111111111 0.0411 29 C 2.4281 -2.6921 -0.6142 C.2 1 UNL111111111 0.5740 30 C -2.6473 -2.6950 0.9491 C.2 1 UNL111111111 -0.1358 31 C 0.1816 -3.4871 0.0598 C.3 1 UNL111111111 -0.0721 32 C -2.1649 -2.6482 -0.4234 C.2 1 UNL111111111 -0.1653 33 C -0.9249 -2.9716 -0.8174 C.2 1 UNL111111111 -0.1643 34 H -3.3101 0.0145 0.6428 H 1 UNL111111111 0.1457 35 H -5.7057 -0.3085 1.5980 H 1 UNL111111111 0.1474 36 H -6.3148 -0.3788 -0.0649 H 1 UNL111111111 0.1757 37 H -5.2725 2.0984 -0.5689 H 1 UNL111111111 0.1978 38 H -4.9812 2.0631 1.1822 H 1 UNL111111111 0.1804 39 H 2.6664 2.3242 -1.0726 H 1 UNL111111111 0.2095 40 H -4.8987 -2.3541 -0.6147 H 1 UNL111111111 0.1675 41 H 3.6840 0.2261 2.6714 H 1 UNL111111111 0.1494 42 H 5.6914 -0.1616 0.3214 H 1 UNL111111111 0.1874 43 H 5.9135 -0.9801 1.8631 H 1 UNL111111111 0.1632 44 H 1.3526 -0.4220 -1.7666 H 1 UNL111111111 0.1772 45 H 2.1300 0.7273 -2.8578 H 1 UNL111111111 0.1914 46 H -0.0268 1.0355 -0.5533 H 1 UNL111111111 0.3405 47 H 3.9622 -2.3731 1.5712 H 1 UNL111111111 0.1607 48 H 5.9862 1.1743 3.2855 H 1 UNL111111111 0.1562 49 H 6.0520 2.0083 1.7165 H 1 UNL111111111 0.1664 50 H 4.8365 2.4704 2.9081 H 1 UNL111111111 0.1678 51 H -4.1687 -2.4953 2.4001 H 1 UNL111111111 0.1457 52 H -3.1690 0.1187 -1.5532 H 1 UNL111111111 0.3314 53 H -1.8728 5.4223 -0.1708 H 1 UNL111111111 0.2009 54 H -6.4812 -2.6604 1.7111 H 1 UNL111111111 0.3080 55 H -1.8956 -2.9696 1.6983 H 1 UNL111111111 0.1497 56 H 1.1288 -1.6855 0.6854 H 1 UNL111111111 0.3358 57 H -0.1653 -3.7184 1.0946 H 1 UNL111111111 0.1438 58 H 0.5634 -4.4576 -0.3576 H 1 UNL111111111 0.1764 59 H -2.9015 -2.3207 -1.1677 H 1 UNL111111111 0.1622 60 H -0.6379 -2.9008 -1.8696 H 1 UNL111111111 0.1573 @BOND 1 1 19 1 2 1 24 1 3 2 17 1 4 2 21 1 5 3 12 1 6 3 52 1 7 4 20 ar 8 4 28 ar 9 5 16 1 10 5 54 1 11 6 21 2 12 7 27 2 13 8 29 2 14 9 15 1 15 9 27 am 16 9 46 1 17 10 20 ar 18 10 26 ar 19 11 29 am 20 11 31 1 21 11 56 1 22 12 13 1 23 12 14 1 24 12 34 1 25 13 16 1 26 13 35 1 27 13 36 1 28 14 20 1 29 14 37 1 30 14 38 1 31 15 19 1 32 15 21 1 33 15 39 1 34 16 25 1 35 16 40 1 36 17 18 1 37 17 23 1 38 17 41 1 39 18 22 1 40 18 42 1 41 18 43 1 42 19 44 1 43 19 45 1 44 22 24 2 45 22 47 1 46 23 48 1 47 23 49 1 48 23 50 1 49 24 29 1 50 25 30 2 51 25 51 1 52 26 27 1 53 26 28 ar 54 28 53 1 55 30 32 1 56 30 55 1 57 31 33 1 58 31 57 1 59 31 58 1 60 32 33 2 61 32 59 1 62 33 60 1