@MOLECULE (4e,6z,8s,9s,10e,12s,13r,14s,16r)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-{[2-(1-pyrrolidinyl)ethyl]amino}-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate 96 98 0 0 0 SMALL GASTEIGER @ATOM 1 C -1.1825 2.5180 0.9452 C.2 1 UNL1111111111 0.6013 2 N -0.1622 3.1139 0.1526 N.am 1 UNL1111111111 -0.5549 3 O -0.9082 1.5025 1.5446 O.2 1 UNL1111111111 -0.4775 4 C -2.5198 3.1407 0.9263 C.2 1 UNL1111111111 -0.1747 5 N -2.3486 1.5538 -2.1547 N.am 1 UNL1111111111 -0.6773 6 O -4.8026 -0.0608 1.7313 O.3 1 UNL1111111111 -0.3647 7 C -3.5242 2.3781 1.4014 C.2 1 UNL1111111111 -0.0023 8 O -3.9949 0.9371 -0.7448 O.3 1 UNL1111111111 -0.4230 9 C -4.9298 2.7553 1.3705 C.2 1 UNL1111111111 -0.1486 10 O -4.5153 1.4845 -2.9052 O.2 1 UNL1111111111 -0.5689 11 C -5.9187 1.9011 1.0788 C.2 1 UNL1111111111 -0.1608 12 O -1.3674 -2.6386 -2.0476 O.3 1 UNL1111111111 -0.5628 13 C -5.7474 0.4343 0.7985 C.3 1 UNL1111111111 0.0712 14 O -1.5203 -3.1580 1.5066 O.3 1 UNL1111111111 -0.4054 15 C -5.2226 0.2018 -0.6419 C.3 1 UNL1111111111 0.0853 16 C -4.9092 -1.2448 -0.9066 C.2 1 UNL1111111111 -0.0764 17 O 4.4085 2.5860 -1.0539 O.2 1 UNL1111111111 -0.4319 18 C -3.7574 -1.7708 -0.4708 C.2 1 UNL1111111111 -0.1361 19 O -0.1149 0.4200 -0.6820 O.2 1 UNL1111111111 -0.4864 20 C -3.3123 -3.1685 -0.7515 C.3 1 UNL1111111111 -0.1407 21 C -1.7755 -3.2918 -0.8614 C.3 1 UNL1111111111 0.1159 22 C -0.9254 -2.7119 0.2979 C.3 1 UNL1111111111 0.0570 23 C 0.5122 -3.2662 0.2437 C.3 1 UNL1111111111 -0.3325 24 C 1.4879 -2.2234 -0.3275 C.3 1 UNL1111111111 -0.0675 25 C 1.8310 -1.1762 0.7548 C.3 1 UNL1111111111 -0.2403 26 C 2.0805 0.1714 0.1698 C.2 1 UNL1111111111 -0.3664 27 C 3.3151 0.7311 -0.0413 C.2 1 UNL1111111111 0.1794 28 C 3.3931 2.1647 -0.5548 C.2 1 UNL1111111111 0.4724 29 C 2.2023 2.9848 -0.3676 C.2 1 UNL1111111111 -0.4557 30 C 1.0043 2.4167 -0.1068 C.2 1 UNL1111111111 0.2080 31 C 0.8903 0.8978 -0.2080 C.2 1 UNL1111111111 0.5306 32 C -2.6831 4.4903 0.3274 C.3 1 UNL1111111111 -0.4335 33 C -5.2050 -1.2421 2.3994 C.3 1 UNL1111111111 -0.2058 34 C -3.6924 1.3263 -2.0288 C.2 1 UNL1111111111 0.7238 35 C -5.9306 -1.9637 -1.7174 C.3 1 UNL1111111111 -0.4470 36 C -3.8681 -4.1186 0.3142 C.3 1 UNL1111111111 -0.4392 37 C -1.4499 -2.2061 2.5528 C.3 1 UNL1111111111 -0.1950 38 C 2.7587 -2.9043 -0.8467 C.3 1 UNL1111111111 -0.4601 39 N 4.4608 0.0346 0.1622 N.pl3 1 UNL1111111111 -0.4654 40 C 5.8040 0.6024 0.0047 C.3 1 UNL1111111111 -0.0803 41 C 6.8565 -0.4586 0.4107 C.3 1 UNL1111111111 -0.1542 42 N 8.1346 0.2537 0.6340 N.3 1 UNL1111111111 -0.4048 43 C 8.8154 0.6185 -0.6356 C.3 1 UNL1111111111 -0.1127 44 C 9.8531 -0.4810 -0.9645 C.3 1 UNL1111111111 -0.2974 45 C 10.0473 -1.2648 0.3453 C.3 1 UNL1111111111 -0.3001 46 C 9.1165 -0.5808 1.3747 C.3 1 UNL1111111111 -0.1107 47 H -0.2395 4.0763 -0.1477 H 1 UNL1111111111 0.3189 48 H -1.9765 1.8050 -3.0489 H 1 UNL1111111111 0.3208 49 H -1.6971 1.3370 -1.4190 H 1 UNL1111111111 0.3442 50 H -3.3026 1.3813 1.8253 H 1 UNL1111111111 0.2024 51 H -5.1470 3.8062 1.5791 H 1 UNL1111111111 0.1515 52 H -6.9517 2.2452 1.0196 H 1 UNL1111111111 0.1459 53 H -1.4641 -1.6667 -1.9571 H 1 UNL1111111111 0.3272 54 H -6.7220 -0.1008 0.8990 H 1 UNL1111111111 0.1320 55 H -5.9597 0.6157 -1.3750 H 1 UNL1111111111 0.1626 56 H -3.0766 -1.1722 0.1433 H 1 UNL1111111111 0.1735 57 H -3.7076 -3.4880 -1.7560 H 1 UNL1111111111 0.1564 58 H -1.5040 -4.3536 -1.0621 H 1 UNL1111111111 0.1410 59 H -0.9292 -1.5967 0.2447 H 1 UNL1111111111 0.1558 60 H 0.8222 -3.5858 1.2552 H 1 UNL1111111111 0.1481 61 H 0.5467 -4.1864 -0.3680 H 1 UNL1111111111 0.1470 62 H 0.9881 -1.7085 -1.1894 H 1 UNL1111111111 0.1664 63 H 0.9798 -1.0941 1.4726 H 1 UNL1111111111 0.1613 64 H 2.6737 -1.5243 1.3785 H 1 UNL1111111111 0.1248 65 H 2.3594 4.0578 -0.4255 H 1 UNL1111111111 0.1904 66 H -2.5358 4.4646 -0.7651 H 1 UNL1111111111 0.1649 67 H -3.6970 4.8930 0.4788 H 1 UNL1111111111 0.1631 68 H -1.9930 5.2269 0.7597 H 1 UNL1111111111 0.1476 69 H -5.3800 -2.0585 1.6893 H 1 UNL1111111111 0.1367 70 H -4.3326 -1.4713 3.0257 H 1 UNL1111111111 0.1487 71 H -6.0847 -1.0590 3.0218 H 1 UNL1111111111 0.1162 72 H -5.7634 -1.7842 -2.7934 H 1 UNL1111111111 0.1691 73 H -5.9027 -3.0504 -1.5643 H 1 UNL1111111111 0.1550 74 H -6.9529 -1.6357 -1.4916 H 1 UNL1111111111 0.1435 75 H -4.9597 -4.1742 0.2665 H 1 UNL1111111111 0.1332 76 H -3.4715 -5.1319 0.1947 H 1 UNL1111111111 0.1432 77 H -3.5948 -3.7863 1.3258 H 1 UNL1111111111 0.1677 78 H -0.4100 -2.0065 2.8300 H 1 UNL1111111111 0.1221 79 H -1.9554 -1.2729 2.2732 H 1 UNL1111111111 0.1385 80 H -1.9765 -2.6992 3.3766 H 1 UNL1111111111 0.1324 81 H 2.5206 -3.6139 -1.6481 H 1 UNL1111111111 0.1479 82 H 3.4510 -2.1688 -1.2716 H 1 UNL1111111111 0.1425 83 H 3.2759 -3.4594 -0.0602 H 1 UNL1111111111 0.1317 84 H 4.3963 -0.9129 0.5156 H 1 UNL1111111111 0.3157 85 H 5.9568 0.9241 -1.0525 H 1 UNL1111111111 0.1669 86 H 5.9230 1.5181 0.6340 H 1 UNL1111111111 0.1738 87 H 6.5527 -0.9434 1.3655 H 1 UNL1111111111 0.1413 88 H 6.9230 -1.2586 -0.3547 H 1 UNL1111111111 0.1275 89 H 8.1017 0.7781 -1.4618 H 1 UNL1111111111 0.1358 90 H 9.3200 1.5926 -0.4533 H 1 UNL1111111111 0.1479 91 H 9.4955 -1.1376 -1.7729 H 1 UNL1111111111 0.1381 92 H 10.7978 -0.0410 -1.3185 H 1 UNL1111111111 0.1410 93 H 9.7871 -2.3266 0.2170 H 1 UNL1111111111 0.1368 94 H 11.0948 -1.2409 0.6815 H 1 UNL1111111111 0.1406 95 H 9.6923 0.1159 2.0230 H 1 UNL1111111111 0.1472 96 H 8.6276 -1.3088 2.0434 H 1 UNL1111111111 0.1292 @BOND 1 1 3 2 2 2 1 am 3 2 47 1 4 4 1 1 5 5 48 1 6 5 49 1 7 6 33 1 8 7 4 2 9 7 50 1 10 9 7 1 11 9 51 1 12 10 34 2 13 11 9 2 14 11 13 1 15 11 52 1 16 12 21 1 17 12 53 1 18 13 6 1 19 13 54 1 20 14 22 1 21 15 8 1 22 15 13 1 23 15 55 1 24 16 15 1 25 16 35 1 26 18 16 2 27 18 56 1 28 19 31 2 29 20 18 1 30 20 57 1 31 21 20 1 32 21 22 1 33 21 58 1 34 22 59 1 35 23 22 1 36 23 24 1 37 23 60 1 38 23 61 1 39 24 25 1 40 24 38 1 41 24 62 1 42 25 26 1 43 25 63 1 44 25 64 1 45 26 27 2 46 26 31 1 47 27 28 1 48 28 17 2 49 28 29 1 50 29 65 1 51 30 2 1 52 30 29 2 53 31 30 1 54 32 4 1 55 32 66 1 56 32 67 1 57 32 68 1 58 33 69 1 59 33 70 1 60 33 71 1 61 34 5 am 62 34 8 1 63 35 72 1 64 35 73 1 65 35 74 1 66 36 20 1 67 36 75 1 68 36 76 1 69 36 77 1 70 37 14 1 71 37 78 1 72 37 79 1 73 37 80 1 74 38 81 1 75 38 82 1 76 38 83 1 77 39 27 1 78 39 40 1 79 39 84 1 80 40 41 1 81 40 85 1 82 40 86 1 83 41 87 1 84 41 88 1 85 42 41 1 86 42 46 1 87 43 42 1 88 43 89 1 89 43 90 1 90 44 43 1 91 44 45 1 92 44 91 1 93 44 92 1 94 45 46 1 95 45 93 1 96 45 94 1 97 46 95 1 98 46 96 1