@MOLECULE (4r,7r,10s,13r,15e,17r,19s)-7-[(2-bromo-1h-indol-3-yl)methyl]-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone 92 95 0 0 0 SMALL GASTEIGER @ATOM 1 BR -4.9312 -0.0659 1.8363 Br 1 UNL111111111 -0.0044 2 O 2.8867 -1.2764 -2.1771 O.3 1 UNL111111111 -0.4384 3 O 0.7471 -1.0198 1.3635 O.2 1 UNL111111111 -0.5422 4 O 0.0597 2.3129 -1.0962 O.2 1 UNL111111111 -0.5212 5 O 2.3987 4.2602 0.4532 O.2 1 UNL111111111 -0.4948 6 O 3.8014 -2.8730 -3.4712 O.2 1 UNL111111111 -0.5231 7 O -0.3746 -7.0409 2.7084 O.3 1 UNL111111111 -0.4763 8 N -0.8528 1.1766 0.6147 N.am 1 UNL111111111 -0.4749 9 N 0.6996 -1.8714 -0.7365 N.am 1 UNL111111111 -0.6053 10 N 0.7309 3.6265 1.8726 N.am 1 UNL111111111 -0.6442 11 N -5.3114 1.0641 -0.7008 N.ar 1 UNL111111111 -0.3880 12 C -0.8278 -0.0278 -0.2071 C.3 1 UNL111111111 0.0142 13 C -2.1521 -0.8304 -0.1436 C.3 1 UNL111111111 -0.2715 14 C 4.4795 0.6183 -0.6745 C.3 1 UNL111111111 -0.0692 15 C 3.6467 0.9274 -1.9335 C.3 1 UNL111111111 -0.3247 16 C 1.7417 -2.8570 -0.4036 C.3 1 UNL111111111 0.1347 17 C -3.2992 -0.0341 -0.6251 C.ar 1 UNL111111111 -0.0610 18 C 0.3011 -0.9760 0.2374 C.2 1 UNL111111111 0.5594 19 C 3.5821 -0.2437 -2.9120 C.3 1 UNL111111111 0.1671 20 C 3.0277 3.7625 2.7234 C.3 1 UNL111111111 -0.1667 21 C 4.3789 3.2842 2.1646 C.3 1 UNL111111111 -0.2790 22 C -0.3553 3.6309 0.8928 C.3 1 UNL111111111 0.0694 23 C -0.3194 2.3329 0.0556 C.2 1 UNL111111111 0.5454 24 C 4.2497 1.9651 1.4517 C.2 1 UNL111111111 0.0051 25 C 4.5524 1.8697 0.1511 C.2 1 UNL111111111 -0.2025 26 C 2.3089 -3.4986 -1.6861 C.3 1 UNL111111111 -0.3963 27 C -3.4560 0.5391 -1.9389 C.ar 1 UNL111111111 -0.0837 28 C 2.0560 3.9103 1.5561 C.2 1 UNL111111111 0.5910 29 C 5.9089 0.1771 -1.0243 C.3 1 UNL111111111 -0.4508 30 C -0.9847 1.0058 2.0618 C.3 1 UNL111111111 -0.2181 31 C 1.1496 -3.9493 0.4601 C.ar 1 UNL111111111 -0.1158 32 C -4.4395 0.3091 0.0820 C.ar 1 UNL111111111 0.0287 33 C -4.7152 1.2201 -1.9534 C.ar 1 UNL111111111 0.1131 34 C 2.7528 0.0896 -4.1455 C.3 1 UNL111111111 -0.4958 35 C 3.1650 5.1248 3.4029 C.3 1 UNL111111111 -0.4461 36 C 3.0906 -2.5536 -2.5516 C.2 1 UNL111111111 0.6056 37 C -0.2933 4.8149 -0.0704 C.3 1 UNL111111111 -0.4587 38 C 3.7820 0.8151 2.2769 C.3 1 UNL111111111 -0.4589 39 C -2.6611 0.5706 -3.0912 C.ar 1 UNL111111111 -0.0816 40 C -5.1794 1.9186 -3.0751 C.ar 1 UNL111111111 -0.2199 41 C 1.7099 -4.2044 1.7115 C.ar 1 UNL111111111 -0.0548 42 C 0.0586 -4.7018 0.0097 C.ar 1 UNL111111111 -0.0746 43 C -3.1206 1.2597 -4.1979 C.ar 1 UNL111111111 -0.1893 44 C -4.3660 1.9255 -4.1907 C.ar 1 UNL111111111 -0.1025 45 C 1.2263 -5.2460 2.5002 C.ar 1 UNL111111111 -0.3185 46 C -0.4496 -5.7354 0.7835 C.ar 1 UNL111111111 -0.2567 47 C 0.1573 -5.9990 2.0171 C.ar 1 UNL111111111 0.2943 48 H -0.6620 0.2885 -1.2819 H 1 UNL111111111 0.1934 49 H -2.3152 -1.2083 0.8887 H 1 UNL111111111 0.1671 50 H -2.0508 -1.7456 -0.7730 H 1 UNL111111111 0.1664 51 H 3.9730 -0.2057 -0.1151 H 1 UNL111111111 0.1449 52 H 2.6210 1.2267 -1.6219 H 1 UNL111111111 0.1783 53 H 4.0611 1.8106 -2.4582 H 1 UNL111111111 0.1580 54 H 2.5726 -2.3276 0.1475 H 1 UNL111111111 0.1656 55 H 4.5911 -0.6235 -3.1875 H 1 UNL111111111 0.1390 56 H 2.6558 3.0107 3.4572 H 1 UNL111111111 0.1485 57 H 5.1130 3.1956 2.9895 H 1 UNL111111111 0.1457 58 H 4.7856 4.0610 1.4800 H 1 UNL111111111 0.1640 59 H -1.3303 3.6716 1.4541 H 1 UNL111111111 0.1448 60 H 4.8698 2.7501 -0.4109 H 1 UNL111111111 0.1551 61 H 0.5189 -1.7014 -1.7130 H 1 UNL111111111 0.3186 62 H 1.4994 -3.9588 -2.2935 H 1 UNL111111111 0.1846 63 H 2.9669 -4.3542 -1.4050 H 1 UNL111111111 0.1941 64 H 6.5206 0.0891 -0.1201 H 1 UNL111111111 0.1445 65 H 5.9185 -0.7971 -1.5237 H 1 UNL111111111 0.1418 66 H 6.4003 0.8989 -1.6850 H 1 UNL111111111 0.1448 67 H 0.4817 3.3530 2.8083 H 1 UNL111111111 0.3042 68 H -0.0212 1.1530 2.5793 H 1 UNL111111111 0.1443 69 H -1.3075 -0.0226 2.3131 H 1 UNL111111111 0.1673 70 H -1.7426 1.7001 2.4567 H 1 UNL111111111 0.1336 71 H 1.7461 0.4316 -3.8760 H 1 UNL111111111 0.1659 72 H 3.2247 0.8865 -4.7333 H 1 UNL111111111 0.1572 73 H 2.6505 -0.7830 -4.8014 H 1 UNL111111111 0.1574 74 H 2.2147 5.4645 3.8297 H 1 UNL111111111 0.1448 75 H 3.9022 5.0920 4.2128 H 1 UNL111111111 0.1498 76 H 3.4967 5.8940 2.6916 H 1 UNL111111111 0.1619 77 H -6.1991 1.4216 -0.4254 H 1 UNL111111111 0.3231 78 H -0.1523 5.7605 0.4599 H 1 UNL111111111 0.1515 79 H 0.5535 4.7119 -0.7762 H 1 UNL111111111 0.2041 80 H -1.2017 4.8769 -0.6783 H 1 UNL111111111 0.1529 81 H 4.3876 -0.0844 2.0993 H 1 UNL111111111 0.1563 82 H 2.7398 0.5469 2.0278 H 1 UNL111111111 0.1747 83 H 3.8218 1.0152 3.3533 H 1 UNL111111111 0.1420 84 H -1.6957 0.0691 -3.1058 H 1 UNL111111111 0.1532 85 H -6.1366 2.4265 -3.0549 H 1 UNL111111111 0.1581 86 H 2.5242 -3.5815 2.0861 H 1 UNL111111111 0.1602 87 H -0.4021 -4.4674 -0.9498 H 1 UNL111111111 0.1548 88 H -2.5172 1.2999 -5.1015 H 1 UNL111111111 0.1537 89 H -4.6845 2.4537 -5.0893 H 1 UNL111111111 0.1495 90 H 1.6673 -5.4571 3.4677 H 1 UNL111111111 0.1602 91 H -1.2949 -6.3349 0.4573 H 1 UNL111111111 0.1739 92 H 0.0893 -7.2020 3.5642 H 1 UNL111111111 0.3275 @BOND 1 1 32 1 2 2 19 1 3 2 36 1 4 3 18 2 5 4 23 2 6 5 28 2 7 6 36 2 8 7 47 1 9 7 92 1 10 8 12 1 11 8 23 am 12 8 30 1 13 9 16 1 14 9 18 am 15 9 61 1 16 10 22 1 17 10 28 am 18 10 67 1 19 11 32 ar 20 11 33 ar 21 11 77 1 22 12 13 1 23 12 18 1 24 12 48 1 25 13 17 1 26 13 49 1 27 13 50 1 28 14 15 1 29 14 25 1 30 14 29 1 31 14 51 1 32 15 19 1 33 15 52 1 34 15 53 1 35 16 26 1 36 16 31 1 37 16 54 1 38 17 27 ar 39 17 32 ar 40 19 34 1 41 19 55 1 42 20 21 1 43 20 28 1 44 20 35 1 45 20 56 1 46 21 24 1 47 21 57 1 48 21 58 1 49 22 23 1 50 22 37 1 51 22 59 1 52 24 25 2 53 24 38 1 54 25 60 1 55 26 36 1 56 26 62 1 57 26 63 1 58 27 33 ar 59 27 39 ar 60 29 64 1 61 29 65 1 62 29 66 1 63 30 68 1 64 30 69 1 65 30 70 1 66 31 41 ar 67 31 42 ar 68 33 40 ar 69 34 71 1 70 34 72 1 71 34 73 1 72 35 74 1 73 35 75 1 74 35 76 1 75 37 78 1 76 37 79 1 77 37 80 1 78 38 81 1 79 38 82 1 80 38 83 1 81 39 43 ar 82 39 84 1 83 40 44 ar 84 40 85 1 85 41 45 ar 86 41 86 1 87 42 46 ar 88 42 87 1 89 43 44 ar 90 43 88 1 91 44 89 1 92 45 47 ar 93 45 90 1 94 46 47 ar 95 46 91 1