@MOLECULE (4s,8e,11r)-4-{(1r)-1-hydroxy-2-[(3-isopropylbenzyl)amino]ethyl}-16-methyl-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione 82 85 0 0 0 SMALL GASTEIGER @ATOM 1 C 5.7614 2.0280 -0.3522 C.ar 1 UNL1111111111 -0.0425 2 C 0.7346 0.8955 2.1554 C.ar 1 UNL1111111111 -0.1191 3 C -0.0669 0.0839 2.9658 C.ar 1 UNL1111111111 0.0337 4 C -0.0450 -1.3010 2.7928 C.ar 1 UNL1111111111 -0.1364 5 C 1.5755 0.3124 1.2137 C.ar 1 UNL1111111111 -0.1134 6 C 1.6188 -1.0712 1.0477 C.ar 1 UNL1111111111 -0.1383 7 C 0.7671 -1.8650 1.8085 C.ar 1 UNL1111111111 -0.1018 8 C 2.3588 1.1786 0.2881 C.2 1 UNL1111111111 0.5854 9 C 5.9909 3.3984 -0.4803 C.ar 1 UNL1111111111 -0.1530 10 C 4.8235 0.3434 -1.9762 C.3 1 UNL1111111111 -0.3123 11 C 3.5609 -0.2168 -2.5459 C.2 1 UNL1111111111 -0.1536 12 C -5.3242 1.5235 -0.3287 C.ar 1 UNL1111111111 -0.1857 13 C -6.9543 3.0547 -1.4617 C.3 1 UNL1111111111 -0.0804 14 C -7.8525 2.5167 -2.5827 C.3 1 UNL1111111111 -0.4463 15 C -7.6197 4.2374 -0.7467 C.3 1 UNL1111111111 -0.4469 16 C 0.3880 -3.6665 -2.0787 C.3 1 UNL1111111111 -0.0605 17 C -7.6534 1.3565 0.2779 C.ar 1 UNL1111111111 -0.1762 18 C -6.6435 1.9547 -0.4797 C.ar 1 UNL1111111111 0.0167 19 C -6.0276 -0.0823 1.3367 C.ar 1 UNL1111111111 -0.1950 20 C 0.6949 -3.3353 1.5833 C.2 1 UNL1111111111 0.5759 21 C -1.6551 -2.7272 -0.8671 C.3 1 UNL1111111111 0.1296 22 C -2.0960 -1.8216 0.3081 C.3 1 UNL1111111111 -0.1878 23 C -3.5928 0.0556 0.7369 C.3 1 UNL1111111111 -0.1222 24 C -5.0180 0.5099 0.5776 C.ar 1 UNL1111111111 -0.0071 25 O 0.9976 -4.1450 2.4382 O.2 1 UNL1111111111 -0.5126 26 N 0.1889 -3.8055 0.3841 N.am 1 UNL1111111111 -0.6054 27 C -0.1192 -2.9859 -0.7872 C.3 1 UNL1111111111 0.0034 28 N -3.3794 -1.1842 -0.0521 N.3 1 UNL1111111111 -0.5420 29 C -7.3452 0.3424 1.1811 C.ar 1 UNL1111111111 -0.1306 30 O -1.8351 -2.0846 -2.1088 O.3 1 UNL1111111111 -0.5835 31 O 1.7351 -3.3079 -2.3008 O.3 1 UNL1111111111 -0.3973 32 C 1.9129 -2.0353 -2.9236 C.3 1 UNL1111111111 -0.0576 33 C 3.1832 -1.4841 -2.3612 C.2 1 UNL1111111111 -0.1876 34 C 4.4925 1.4381 -0.9246 C.3 1 UNL1111111111 0.0902 35 C 7.1454 3.9654 0.0554 C.ar 1 UNL1111111111 -0.1402 36 C 8.0708 3.1658 0.7236 C.ar 1 UNL1111111111 -0.1492 37 C 7.8416 1.7969 0.8525 C.ar 1 UNL1111111111 -0.1417 38 C 6.6895 1.2273 0.3153 C.ar 1 UNL1111111111 -0.1590 39 N 3.6930 0.8559 0.1597 N.am 1 UNL1111111111 -0.5955 40 O 1.8543 2.0846 -0.3446 O.2 1 UNL1111111111 -0.5247 41 C -0.9490 0.7062 3.9915 C.3 1 UNL1111111111 -0.4559 42 H 0.6976 1.9820 2.2512 H 1 UNL1111111111 0.1719 43 H -0.6597 -1.9462 3.4224 H 1 UNL1111111111 0.1684 44 H 2.2872 -1.5249 0.3100 H 1 UNL1111111111 0.1771 45 H 5.2657 4.0306 -0.9920 H 1 UNL1111111111 0.1571 46 H 5.4564 -0.4457 -1.5265 H 1 UNL1111111111 0.1520 47 H 5.4444 0.7913 -2.7796 H 1 UNL1111111111 0.1595 48 H 2.9560 0.4945 -3.1075 H 1 UNL1111111111 0.1524 49 H -4.5312 1.9716 -0.9259 H 1 UNL1111111111 0.1606 50 H -6.0018 3.4210 -1.9256 H 1 UNL1111111111 0.1415 51 H -8.0256 3.2778 -3.3507 H 1 UNL1111111111 0.1455 52 H -7.3955 1.6467 -3.0696 H 1 UNL1111111111 0.1505 53 H -8.8307 2.2023 -2.2030 H 1 UNL1111111111 0.1466 54 H -8.5950 3.9646 -0.3304 H 1 UNL1111111111 0.1463 55 H -6.9995 4.5974 0.0821 H 1 UNL1111111111 0.1476 56 H -7.7786 5.0749 -1.4342 H 1 UNL1111111111 0.1459 57 H 0.4451 -4.7670 -1.9904 H 1 UNL1111111111 0.1415 58 H -0.2444 -3.4136 -2.9507 H 1 UNL1111111111 0.1575 59 H -8.6848 1.6832 0.1627 H 1 UNL1111111111 0.1538 60 H -5.7909 -0.8689 2.0475 H 1 UNL1111111111 0.1494 61 H -2.2370 -3.6697 -0.9075 H 1 UNL1111111111 0.1275 62 H -2.1401 -2.4121 1.2459 H 1 UNL1111111111 0.1312 63 H -1.3320 -1.0234 0.4631 H 1 UNL1111111111 0.1626 64 H -2.8821 0.8227 0.3440 H 1 UNL1111111111 0.1590 65 H -3.3488 -0.0726 1.8163 H 1 UNL1111111111 0.1272 66 H 0.1661 -4.8119 0.2539 H 1 UNL1111111111 0.3205 67 H 0.3880 -1.9856 -0.7217 H 1 UNL1111111111 0.1712 68 H -4.1615 -1.8277 0.0527 H 1 UNL1111111111 0.2628 69 H -8.1371 -0.1188 1.7690 H 1 UNL1111111111 0.1500 70 H -2.5122 -1.3661 -2.0231 H 1 UNL1111111111 0.3623 71 H 1.9948 -2.2316 -4.0115 H 1 UNL1111111111 0.1354 72 H 1.0471 -1.3677 -2.7512 H 1 UNL1111111111 0.1450 73 H 3.7754 -2.2068 -1.7986 H 1 UNL1111111111 0.1655 74 H 3.8792 2.2440 -1.4247 H 1 UNL1111111111 0.1794 75 H 7.3220 5.0346 -0.0454 H 1 UNL1111111111 0.1503 76 H 8.9701 3.6094 1.1454 H 1 UNL1111111111 0.1491 77 H 8.5634 1.1719 1.3748 H 1 UNL1111111111 0.1501 78 H 6.5200 0.1579 0.4201 H 1 UNL1111111111 0.1494 79 H 4.1140 0.1169 0.6980 H 1 UNL1111111111 0.3158 80 H -1.5664 1.5119 3.5664 H 1 UNL1111111111 0.1634 81 H -1.6342 -0.0122 4.4611 H 1 UNL1111111111 0.1571 82 H -0.3564 1.1539 4.8051 H 1 UNL1111111111 0.1661 @BOND 1 1 34 1 2 2 5 ar 3 2 42 1 4 3 2 ar 5 3 4 ar 6 4 7 ar 7 4 43 1 8 5 8 1 9 5 6 ar 10 6 44 1 11 7 6 ar 12 7 20 1 13 8 39 am 14 9 1 ar 15 9 45 1 16 10 11 1 17 10 46 1 18 10 47 1 19 11 33 2 20 11 48 1 21 12 18 ar 22 12 49 1 23 13 15 1 24 13 50 1 25 14 13 1 26 14 51 1 27 14 52 1 28 14 53 1 29 15 54 1 30 15 55 1 31 15 56 1 32 16 31 1 33 16 57 1 34 16 58 1 35 17 18 ar 36 17 59 1 37 18 13 1 38 19 24 ar 39 19 29 ar 40 19 60 1 41 20 25 2 42 20 26 am 43 21 27 1 44 21 30 1 45 21 61 1 46 22 21 1 47 22 62 1 48 22 63 1 49 23 28 1 50 23 24 1 51 23 64 1 52 23 65 1 53 24 12 ar 54 26 27 1 55 26 66 1 56 27 16 1 57 27 67 1 58 28 22 1 59 28 68 1 60 29 17 ar 61 29 69 1 62 30 70 1 63 31 32 1 64 32 71 1 65 32 72 1 66 33 32 1 67 33 73 1 68 34 10 1 69 34 74 1 70 35 9 ar 71 35 75 1 72 36 35 ar 73 36 37 ar 74 36 76 1 75 37 38 ar 76 37 77 1 77 38 1 ar 78 38 78 1 79 39 34 1 80 39 79 1 81 40 8 2 82 41 3 1 83 41 80 1 84 41 81 1 85 41 82 1