@MOLECULE (5e,7s,9r,10s,13s,14s,16z,18e)-24,28-dihydroxy-10-methyl-21,26-diazatetracyclo[23.2.1.0~7,14~.0~9,13~]octacosa-1(28),5,11,16,18-pentaene-2,20,27-trione 68 71 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.7798 2.0098 2.4767 O.2 1 UNL1111111111 -0.5680 2 O 2.9266 -0.2824 -3.4424 O.3 1 UNL1111111111 -0.5558 3 O 2.2932 2.4027 -0.0739 O.2 1 UNL1111111111 -0.4486 4 O 3.3119 -1.9669 1.4471 O.2 1 UNL1111111111 -0.4849 5 O -0.2206 -2.5398 0.0035 O.2 1 UNL1111111111 -0.5227 6 N 3.5988 -0.8921 -0.5605 N.am 1 UNL1111111111 -0.6380 7 N -0.1110 -2.6507 -2.2450 N.am 1 UNL1111111111 -0.6288 8 C -2.2642 2.8600 -0.0752 C.3 1 UNL1111111111 -0.1076 9 C -3.2463 1.7018 -0.4564 C.3 1 UNL1111111111 -0.1409 10 C -3.0115 0.6153 0.6004 C.3 1 UNL1111111111 -0.1137 11 C -1.5580 0.8132 1.1196 C.3 1 UNL1111111111 -0.1207 12 C -1.0378 2.1345 0.5011 C.3 1 UNL1111111111 -0.2841 13 C -2.0087 3.5648 -1.4360 C.3 1 UNL1111111111 -0.1067 14 C -2.8576 1.4082 -1.8851 C.2 1 UNL1111111111 -0.1670 15 C -3.2616 -0.8088 0.0978 C.3 1 UNL1111111111 -0.3019 16 C -2.1855 2.4344 -2.4264 C.2 1 UNL1111111111 -0.1766 17 C -1.5427 0.9453 2.6082 C.2 1 UNL1111111111 -0.1801 18 C -0.6749 4.2865 -1.5361 C.3 1 UNL1111111111 -0.4451 19 C -3.1105 -1.7827 1.2190 C.2 1 UNL1111111111 -0.0825 20 C -0.7349 0.3026 3.4537 C.2 1 UNL1111111111 -0.1546 21 C 0.2907 -0.7247 3.1088 C.3 1 UNL1111111111 -0.2578 22 C -2.9394 -3.0985 1.0610 C.2 1 UNL1111111111 -0.2284 23 C 1.6956 -0.1802 3.4302 C.3 1 UNL1111111111 -0.3575 24 C -2.9199 -3.7956 -0.2175 C.2 1 UNL1111111111 -0.0103 25 C 2.0337 0.8139 2.3653 C.2 1 UNL1111111111 0.5770 26 C 3.2523 0.4034 -1.1731 C.3 1 UNL1111111111 -0.0173 27 C 2.6096 0.3505 1.1240 C.2 1 UNL1111111111 -0.5045 28 C 2.2649 0.3548 -2.3710 C.3 1 UNL1111111111 0.1430 29 C 2.6699 1.1481 0.0140 C.2 1 UNL1111111111 0.3906 30 C -1.9634 -3.7313 -1.1501 C.2 1 UNL1111111111 -0.3266 31 C 0.9687 -0.4284 -2.1611 C.3 1 UNL1111111111 -0.3232 32 C 3.1684 -0.9744 0.7845 C.2 1 UNL1111111111 0.6488 33 C 1.1742 -1.9515 -2.2628 C.3 1 UNL1111111111 -0.0367 34 C -0.7266 -2.9251 -1.0295 C.2 1 UNL1111111111 0.6043 35 H -2.6978 3.5508 0.6642 H 1 UNL1111111111 0.1284 36 H -4.3048 2.0402 -0.4335 H 1 UNL1111111111 0.1380 37 H -3.7205 0.8108 1.4445 H 1 UNL1111111111 0.1380 38 H -0.9267 -0.0412 0.7795 H 1 UNL1111111111 0.1603 39 H -0.3050 1.9092 -0.2930 H 1 UNL1111111111 0.1397 40 H -0.5061 2.7557 1.2435 H 1 UNL1111111111 0.1476 41 H -2.8320 4.3043 -1.6059 H 1 UNL1111111111 0.1355 42 H -3.1371 0.4854 -2.3527 H 1 UNL1111111111 0.1429 43 H -4.2789 -0.8808 -0.3406 H 1 UNL1111111111 0.1511 44 H -2.5631 -1.0520 -0.7307 H 1 UNL1111111111 0.1614 45 H -1.8008 2.5262 -3.4219 H 1 UNL1111111111 0.1418 46 H -2.2559 1.6822 2.9901 H 1 UNL1111111111 0.1399 47 H 0.1729 3.5908 -1.5194 H 1 UNL1111111111 0.1523 48 H -0.5428 4.9845 -0.7001 H 1 UNL1111111111 0.1471 49 H -0.6034 4.8652 -2.4664 H 1 UNL1111111111 0.1396 50 H -3.1369 -1.3450 2.2208 H 1 UNL1111111111 0.1543 51 H -0.7844 0.5242 4.5225 H 1 UNL1111111111 0.1384 52 H 0.1066 -1.6553 3.6847 H 1 UNL1111111111 0.1571 53 H 0.2351 -1.0552 2.0456 H 1 UNL1111111111 0.1781 54 H -2.8203 -3.7561 1.9270 H 1 UNL1111111111 0.1657 55 H 2.4337 -1.0123 3.4505 H 1 UNL1111111111 0.1895 56 H 1.7185 0.2860 4.4343 H 1 UNL1111111111 0.1670 57 H -3.8019 -4.4337 -0.3759 H 1 UNL1111111111 0.1450 58 H 4.2016 0.8982 -1.5163 H 1 UNL1111111111 0.1697 59 H 2.0299 1.4108 -2.6609 H 1 UNL1111111111 0.1298 60 H -2.0419 -4.3206 -2.0647 H 1 UNL1111111111 0.1587 61 H 0.2195 -0.1083 -2.9155 H 1 UNL1111111111 0.1582 62 H 0.5203 -0.1830 -1.1772 H 1 UNL1111111111 0.1721 63 H 3.8495 -1.6747 -1.1286 H 1 UNL1111111111 0.3322 64 H 1.7168 -2.2186 -3.1988 H 1 UNL1111111111 0.1482 65 H 1.7863 -2.3163 -1.4037 H 1 UNL1111111111 0.1634 66 H -0.5299 -2.8767 -3.1260 H 1 UNL1111111111 0.3062 67 H 3.6399 0.2752 -3.8079 H 1 UNL1111111111 0.3174 68 H 1.9715 2.7175 0.8819 H 1 UNL1111111111 0.4123 @BOND 1 1 25 2 2 2 28 1 3 2 67 1 4 3 29 1 5 3 68 1 6 4 32 2 7 5 34 2 8 6 26 1 9 6 32 am 10 6 63 1 11 7 33 1 12 7 34 am 13 7 66 1 14 8 9 1 15 8 12 1 16 8 13 1 17 8 35 1 18 9 10 1 19 9 14 1 20 9 36 1 21 10 11 1 22 10 15 1 23 10 37 1 24 11 12 1 25 11 17 1 26 11 38 1 27 12 39 1 28 12 40 1 29 13 16 1 30 13 18 1 31 13 41 1 32 14 16 2 33 14 42 1 34 15 19 1 35 15 43 1 36 15 44 1 37 16 45 1 38 17 20 2 39 17 46 1 40 18 47 1 41 18 48 1 42 18 49 1 43 19 22 2 44 19 50 1 45 20 21 1 46 20 51 1 47 21 23 1 48 21 52 1 49 21 53 1 50 22 24 1 51 22 54 1 52 23 25 1 53 23 55 1 54 23 56 1 55 24 30 2 56 24 57 1 57 25 27 1 58 26 28 1 59 26 29 1 60 26 58 1 61 27 29 2 62 27 32 1 63 28 31 1 64 28 59 1 65 30 34 1 66 30 60 1 67 31 33 1 68 31 61 1 69 31 62 1 70 33 64 1 71 33 65 1