@MOLECULE (4s,8e)-4-[(1r)-1-hydroxy-2-({2-[5-(2-methyl-2-propanyl)-1,3-oxazol-2-yl]-2-propanyl}amino)ethyl]-16-methyl-6-oxa-3-azabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione 78 80 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.6198 -1.2217 2.4642 O.2 1 UNL1111 -0.5443 2 C 2.0731 -0.8708 1.3892 C.2 1 UNL1111 0.5806 3 C 3.2495 -1.5259 0.7601 C.ar 1 UNL1111 -0.1351 4 C 3.5078 -2.8541 1.1043 C.ar 1 UNL1111 -0.0934 5 N 1.4667 0.1491 0.6860 N.am 1 UNL1111 -0.5946 6 C 0.3541 0.8813 1.2921 C.3 1 UNL1111 -0.0171 7 C -0.4974 1.4812 0.1422 C.3 1 UNL1111 0.0923 8 O 0.2375 2.4438 -0.5691 O.3 1 UNL1111 -0.5822 9 C -1.8135 2.1077 0.6647 C.3 1 UNL1111 -0.1427 10 N -3.0250 1.6565 -0.0263 N.3 1 UNL1111 -0.5633 11 C -3.5955 0.3609 0.4029 C.3 1 UNL1111 0.2719 12 C -4.0975 0.4711 1.8522 C.3 1 UNL1111 -0.4602 13 C -4.7638 0.1070 -0.5163 C.ar 1 UNL1111 0.2242 14 O -5.9421 -0.3171 0.0817 O.2 1 UNL1111 -0.2385 15 C -6.8332 -0.5231 -0.9626 C.ar 1 UNL1111 0.0544 16 C -8.1719 -1.0151 -0.5519 C.3 1 UNL1111 0.1239 17 C -8.0081 -2.4043 0.0871 C.3 1 UNL1111 -0.4568 18 C -8.7762 -0.0344 0.4655 C.3 1 UNL1111 -0.4556 19 C -9.0786 -1.1112 -1.7881 C.3 1 UNL1111 -0.4589 20 C -6.1893 -0.2183 -2.1360 C.ar 1 UNL1111 -0.1116 21 N -4.8742 0.1740 -1.8274 N.ar 1 UNL1111 -0.3980 22 C -2.6642 -0.8604 0.2569 C.3 1 UNL1111 -0.5036 23 C 0.8699 1.9456 2.2903 C.3 1 UNL1111 -0.0730 24 O 1.6296 2.9623 1.6686 O.3 1 UNL1111 -0.4206 25 C 3.0307 2.7200 1.5648 C.3 1 UNL1111 -0.0370 26 C 3.4201 2.7589 0.1236 C.2 1 UNL1111 -0.2289 27 C 4.6725 2.5381 -0.2863 C.2 1 UNL1111 -0.1507 28 C 5.0845 2.6576 -1.7171 C.3 1 UNL1111 -0.2785 29 C 6.1463 1.6230 -2.1190 C.3 1 UNL1111 -0.2402 30 C 5.5384 0.2650 -2.5052 C.3 1 UNL1111 -0.3743 31 C 6.0975 -0.8236 -1.6207 C.2 1 UNL1111 0.4722 32 O 7.2596 -1.1443 -1.6910 O.2 1 UNL1111 -0.4494 33 C 5.1823 -1.5129 -0.6737 C.ar 1 UNL1111 -0.1483 34 C 4.0908 -0.8489 -0.1181 C.ar 1 UNL1111 -0.1193 35 C 5.4486 -2.8382 -0.3309 C.ar 1 UNL1111 -0.0987 36 C 4.6110 -3.5143 0.5607 C.ar 1 UNL1111 0.0138 37 C 4.9111 -4.9231 0.9386 C.3 1 UNL1111 -0.4530 38 H 2.8455 -3.3640 1.8096 H 1 UNL1111 0.1765 39 H 1.8439 0.5390 -0.1668 H 1 UNL1111 0.3285 40 H -0.2766 0.1507 1.8793 H 1 UNL1111 0.1738 41 H -0.6985 0.7110 -0.6417 H 1 UNL1111 0.1593 42 H 0.7443 3.0162 0.0563 H 1 UNL1111 0.3463 43 H -1.9328 1.9674 1.7577 H 1 UNL1111 0.1437 44 H -1.7629 3.2159 0.5011 H 1 UNL1111 0.1713 45 H -2.9189 1.7035 -1.0433 H 1 UNL1111 0.2932 46 H -4.7268 1.3638 1.9759 H 1 UNL1111 0.1691 47 H -4.6975 -0.4008 2.1366 H 1 UNL1111 0.1550 48 H -3.2700 0.5472 2.5648 H 1 UNL1111 0.1550 49 H -7.3456 -2.3653 0.9598 H 1 UNL1111 0.1538 50 H -8.9721 -2.8034 0.4195 H 1 UNL1111 0.1516 51 H -7.5771 -3.1219 -0.6200 H 1 UNL1111 0.1514 52 H -8.8591 0.9750 0.0461 H 1 UNL1111 0.1536 53 H -9.7779 -0.3506 0.7748 H 1 UNL1111 0.1505 54 H -8.1563 0.0369 1.3674 H 1 UNL1111 0.1553 55 H -8.6745 -1.8082 -2.5311 H 1 UNL1111 0.1516 56 H -10.0783 -1.4672 -1.5146 H 1 UNL1111 0.1538 57 H -9.1987 -0.1361 -2.2745 H 1 UNL1111 0.1533 58 H -6.5226 -0.2381 -3.1543 H 1 UNL1111 0.1892 59 H -1.8235 -0.8162 0.9561 H 1 UNL1111 0.1611 60 H -3.2021 -1.7935 0.4644 H 1 UNL1111 0.1618 61 H -2.2635 -0.9420 -0.7612 H 1 UNL1111 0.1652 62 H 0.0310 2.5212 2.7288 H 1 UNL1111 0.1456 63 H 1.4357 1.4632 3.1094 H 1 UNL1111 0.1475 64 H 3.4763 3.5688 2.1280 H 1 UNL1111 0.1467 65 H 3.3273 1.7770 2.0591 H 1 UNL1111 0.1405 66 H 2.6150 3.0131 -0.5680 H 1 UNL1111 0.1716 67 H 5.4747 2.2917 0.4095 H 1 UNL1111 0.1517 68 H 4.2134 2.5972 -2.4007 H 1 UNL1111 0.1527 69 H 5.4951 3.6814 -1.8757 H 1 UNL1111 0.1552 70 H 6.7346 2.0143 -2.9731 H 1 UNL1111 0.1422 71 H 6.8904 1.5028 -1.3061 H 1 UNL1111 0.1530 72 H 4.4339 0.2953 -2.4785 H 1 UNL1111 0.1659 73 H 5.7913 0.0242 -3.5601 H 1 UNL1111 0.1699 74 H 3.9159 0.2018 -0.3607 H 1 UNL1111 0.1686 75 H 6.3218 -3.3401 -0.7551 H 1 UNL1111 0.1726 76 H 5.7802 -4.9732 1.6143 H 1 UNL1111 0.1661 77 H 4.0753 -5.4126 1.4580 H 1 UNL1111 0.1595 78 H 5.1487 -5.5430 0.0618 H 1 UNL1111 0.1611 @BOND 1 2 1 2 2 2 5 am 3 3 34 ar 4 3 2 1 5 4 3 ar 6 4 38 1 7 5 6 1 8 5 39 1 9 6 23 1 10 6 40 1 11 7 6 1 12 7 8 1 13 7 41 1 14 8 42 1 15 9 7 1 16 9 43 1 17 9 44 1 18 10 9 1 19 10 45 1 20 11 10 1 21 11 13 1 22 12 11 1 23 12 46 1 24 12 47 1 25 12 48 1 26 13 21 ar 27 13 14 ar 28 14 15 ar 29 15 16 1 30 16 19 1 31 16 18 1 32 17 16 1 33 17 49 1 34 17 50 1 35 17 51 1 36 18 52 1 37 18 53 1 38 18 54 1 39 19 55 1 40 19 56 1 41 19 57 1 42 20 15 ar 43 20 58 1 44 21 20 ar 45 22 11 1 46 22 59 1 47 22 60 1 48 22 61 1 49 23 24 1 50 23 62 1 51 23 63 1 52 24 25 1 53 25 64 1 54 25 65 1 55 26 25 1 56 26 66 1 57 27 26 2 58 27 67 1 59 28 27 1 60 28 68 1 61 28 69 1 62 29 30 1 63 29 28 1 64 29 70 1 65 29 71 1 66 30 72 1 67 30 73 1 68 31 30 1 69 32 31 2 70 33 31 1 71 33 34 ar 72 34 74 1 73 35 33 ar 74 35 75 1 75 36 35 ar 76 36 4 ar 77 37 36 1 78 37 76 1 79 37 77 1 80 37 78 1