@MOLECULE (3s)-3-[(1r)-2-{[(4s)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-4-azabicyclo[10.3.1]hexadeca-1(16),12,14-trien-5-one 78 82 0 0 0 SMALL GASTEIGER @ATOM 1 C 5.8466 0.3782 1.4745 C.3 1 UNL1111111111 -0.3323 2 C 7.3568 0.2911 1.1300 C.3 1 UNL1111111111 -0.2626 3 C 7.0142 -0.0625 -0.3420 C.3 1 UNL1111111111 -0.3078 4 C 5.5017 -0.0068 0.0066 C.3 1 UNL1111111111 0.2572 5 C 4.6768 -1.2468 -0.2265 C.3 1 UNL1111111111 -0.3522 6 O 4.9707 1.0915 -0.7215 O.3 1 UNL1111111111 -0.3530 7 C 3.6560 1.3457 -0.4791 C.ar 1 UNL1111111111 0.2321 8 C 3.2531 2.6532 -0.7745 C.ar 1 UNL1111111111 -0.2365 9 C 1.9487 3.0277 -0.4854 C.ar 1 UNL1111111111 -0.1174 10 C 1.0696 2.1174 0.1096 C.ar 1 UNL1111111111 -0.0383 11 C -0.3173 2.5467 0.4807 C.3 1 UNL1111111111 -0.2532 12 C -1.2800 2.2721 -0.6733 C.3 1 UNL1111111111 -0.4393 13 C 1.4810 0.8073 0.3523 C.ar 1 UNL1111111111 -0.1388 14 C 2.7700 0.3898 0.0269 C.ar 1 UNL1111111111 -0.1870 15 C 3.2096 -1.0399 0.2327 C.3 1 UNL1111111111 0.0829 16 N 2.4328 -2.0388 -0.5319 N.3 1 UNL1111111111 -0.5556 17 C 1.1132 -2.3821 0.0261 C.3 1 UNL1111111111 -0.1625 18 C -0.0376 -1.9675 -0.9133 C.3 1 UNL1111111111 0.0838 19 O 0.0745 -2.6457 -2.1408 O.3 1 UNL1111111111 -0.5541 20 C -1.4171 -2.2707 -0.2490 C.3 1 UNL1111111111 0.0512 21 C -2.5289 -2.4310 -1.3147 C.3 1 UNL1111111111 -0.3203 22 C -3.0757 -1.1159 -1.7692 C.ar 1 UNL1111111111 0.0273 23 C -4.2109 -0.6069 -1.1385 C.ar 1 UNL1111111111 -0.2206 24 C -2.4425 -0.3699 -2.7642 C.ar 1 UNL1111111111 -0.1907 25 C -2.9301 0.8931 -3.0932 C.ar 1 UNL1111111111 -0.1221 26 C -4.0085 1.4384 -2.3974 C.ar 1 UNL1111111111 -0.2022 27 C -4.6405 0.6949 -1.3988 C.ar 1 UNL1111111111 0.0300 28 C -5.7277 1.2905 -0.5570 C.3 1 UNL1111111111 -0.2941 29 C -5.1595 1.7695 0.7953 C.3 1 UNL1111111111 -0.2586 30 C -4.7785 0.5942 1.7032 C.3 1 UNL1111111111 -0.2829 31 C -4.1096 1.0516 3.0045 C.3 1 UNL1111111111 -0.2724 32 C -3.2209 -0.0604 3.5854 C.3 1 UNL1111111111 -0.2530 33 C -1.8461 -0.1292 2.9049 C.3 1 UNL1111111111 -0.3574 34 C -1.6986 -1.3715 2.0519 C.2 1 UNL1111111111 0.5958 35 O -1.5105 -2.4782 2.5159 O.2 1 UNL1111111111 -0.5477 36 N -1.6844 -1.1700 0.6836 N.am 1 UNL1111111111 -0.6344 37 H 5.5013 -0.3294 2.2288 H 1 UNL1111111111 0.1474 38 H 5.5030 1.3772 1.7585 H 1 UNL1111111111 0.1582 39 H 7.9008 1.2307 1.2524 H 1 UNL1111111111 0.1419 40 H 7.8984 -0.4897 1.6682 H 1 UNL1111111111 0.1374 41 H 7.3213 0.6926 -1.0740 H 1 UNL1111111111 0.1617 42 H 7.3702 -1.0351 -0.6836 H 1 UNL1111111111 0.1477 43 H 4.7036 -1.5080 -1.3061 H 1 UNL1111111111 0.1711 44 H 5.1067 -2.1237 0.2922 H 1 UNL1111111111 0.1661 45 H 3.9649 3.3510 -1.2072 H 1 UNL1111111111 0.1715 46 H 1.6141 4.0394 -0.7084 H 1 UNL1111111111 0.1517 47 H -0.6561 2.0241 1.3984 H 1 UNL1111111111 0.1335 48 H -0.3393 3.6243 0.7423 H 1 UNL1111111111 0.1446 49 H -1.1848 1.2446 -1.0472 H 1 UNL1111111111 0.1493 50 H -2.3241 2.4241 -0.3790 H 1 UNL1111111111 0.1422 51 H -1.0781 2.9323 -1.5259 H 1 UNL1111111111 0.1536 52 H 0.7831 0.1058 0.8087 H 1 UNL1111111111 0.1571 53 H 3.1316 -1.2880 1.3256 H 1 UNL1111111111 0.1484 54 H 2.3553 -1.7775 -1.5166 H 1 UNL1111111111 0.2787 55 H 1.1125 -3.4920 0.1586 H 1 UNL1111111111 0.1519 56 H 0.9585 -1.9688 1.0447 H 1 UNL1111111111 0.1564 57 H 0.0312 -0.9004 -1.2278 H 1 UNL1111111111 0.1574 58 H 0.3345 -3.5808 -2.0151 H 1 UNL1111111111 0.3205 59 H -1.3513 -3.2334 0.3308 H 1 UNL1111111111 0.1713 60 H -2.1253 -3.0036 -2.1800 H 1 UNL1111111111 0.1812 61 H -3.3375 -3.0665 -0.8980 H 1 UNL1111111111 0.1551 62 H -4.7485 -1.2222 -0.4188 H 1 UNL1111111111 0.1584 63 H -1.5698 -0.7772 -3.2758 H 1 UNL1111111111 0.1725 64 H -2.4529 1.4661 -3.8868 H 1 UNL1111111111 0.1508 65 H -4.3538 2.4418 -2.6313 H 1 UNL1111111111 0.1514 66 H -6.2108 2.1423 -1.0760 H 1 UNL1111111111 0.1474 67 H -6.5407 0.5563 -0.3867 H 1 UNL1111111111 0.1531 68 H -4.2790 2.4157 0.6172 H 1 UNL1111111111 0.1384 69 H -5.9070 2.4073 1.3025 H 1 UNL1111111111 0.1374 70 H -5.6742 -0.0127 1.9312 H 1 UNL1111111111 0.1388 71 H -4.0882 -0.0852 1.1667 H 1 UNL1111111111 0.1510 72 H -3.5136 1.9676 2.8375 H 1 UNL1111111111 0.1390 73 H -4.8824 1.3376 3.7424 H 1 UNL1111111111 0.1361 74 H -3.0833 0.1106 4.6714 H 1 UNL1111111111 0.1403 75 H -3.7366 -1.0393 3.5194 H 1 UNL1111111111 0.1550 76 H -1.6513 0.7945 2.3239 H 1 UNL1111111111 0.1621 77 H -1.0472 -0.1635 3.6788 H 1 UNL1111111111 0.1745 78 H -1.9502 -0.2818 0.2756 H 1 UNL1111111111 0.3243 @BOND 1 1 2 1 2 1 4 1 3 1 37 1 4 1 38 1 5 2 3 1 6 2 39 1 7 2 40 1 8 3 41 1 9 3 42 1 10 4 3 1 11 4 5 1 12 5 43 1 13 5 44 1 14 6 4 1 15 7 6 1 16 7 14 ar 17 8 7 ar 18 8 45 1 19 9 8 ar 20 9 10 ar 21 9 46 1 22 10 13 ar 23 11 10 1 24 11 47 1 25 11 48 1 26 12 11 1 27 12 49 1 28 12 50 1 29 12 51 1 30 13 14 ar 31 13 52 1 32 14 15 1 33 15 5 1 34 15 16 1 35 15 53 1 36 16 17 1 37 16 54 1 38 17 18 1 39 17 55 1 40 17 56 1 41 18 20 1 42 18 57 1 43 19 18 1 44 19 58 1 45 20 21 1 46 20 36 1 47 20 59 1 48 21 22 1 49 21 60 1 50 21 61 1 51 22 23 ar 52 23 27 ar 53 23 62 1 54 24 25 ar 55 24 22 ar 56 24 63 1 57 25 26 ar 58 25 64 1 59 26 27 ar 60 26 65 1 61 27 28 1 62 28 66 1 63 28 67 1 64 29 28 1 65 29 68 1 66 29 69 1 67 30 29 1 68 30 70 1 69 30 71 1 70 31 30 1 71 31 72 1 72 31 73 1 73 32 31 1 74 32 74 1 75 32 75 1 76 33 32 1 77 33 76 1 78 33 77 1 79 34 36 am 80 34 33 1 81 35 34 2 82 36 78 1