@MOLECULE (1s,3s,4s,9s,16s,18s,19s,21s)-16-(hydroxymethyl)-13-methoxy-12,20-dimethyl-11,14-dioxo-5-oxa-8,17,20-triazahexacyclo[15.3.1.0~3,19~.0~4,8~.0~9,18~.0~10,15~]henicosa-10(15),12-diene-21-carbonitrile 57 62 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.5182 1.8508 0.2966 O.3 1 UNL111111111 -0.4377 2 O 0.2238 -4.0630 -1.1526 O.3 1 UNL111111111 -0.5559 3 O 1.5001 3.0857 -1.2650 O.2 1 UNL111111111 -0.3657 4 O 3.3253 -1.4406 -1.1817 O.2 1 UNL111111111 -0.4124 5 O 4.1991 0.1695 1.1194 O.2 1 UNL111111111 -0.2653 6 N -0.3827 -0.9158 1.2812 N.3 1 UNL111111111 -0.4265 7 N -1.0785 -1.5706 -1.0006 N.3 1 UNL111111111 -0.4019 8 N -1.3339 2.3050 -0.4753 N.3 1 UNL111111111 -0.4788 9 N -4.1500 -2.8316 -0.1969 N.1 1 UNL111111111 -0.2416 10 C -1.4378 -0.0196 0.6301 C.3 1 UNL111111111 -0.1031 11 C -1.4620 -0.1210 -0.8697 C.3 1 UNL111111111 -0.0331 12 C -1.7396 0.9715 1.6956 C.3 1 UNL111111111 -0.2200 13 C -1.4705 -1.6623 1.8676 C.3 1 UNL111111111 0.0057 14 C -0.7132 1.1565 -1.2589 C.3 1 UNL111111111 0.0639 15 C -2.3514 -0.2927 2.5670 C.3 1 UNL111111111 -0.2652 16 C -2.2147 2.1146 0.7797 C.3 1 UNL111111111 0.2842 17 C -1.6247 -2.3734 0.2185 C.3 1 UNL111111111 0.0707 18 C 0.3685 -1.6270 -1.3511 C.3 1 UNL111111111 0.0408 19 C 0.7282 0.8682 -0.9736 C.2 1 UNL111111111 -0.0950 20 C -2.2863 3.0478 -1.3462 C.3 1 UNL111111111 -0.1542 21 C 1.1968 -0.3970 -0.9923 C.2 1 UNL111111111 -0.1282 22 C 0.6313 -0.3461 2.1751 C.3 1 UNL111111111 -0.2712 23 C -3.6998 2.5828 -0.9138 C.3 1 UNL111111111 -0.0671 24 C 1.0400 -2.9392 -0.8942 C.3 1 UNL111111111 -0.0205 25 C -3.0242 -2.6267 -0.0263 C.1 1 UNL111111111 0.0792 26 C 1.6374 2.0236 -0.7166 C.2 1 UNL111111111 0.4476 27 C 2.6436 -0.5751 -0.6919 C.2 1 UNL111111111 0.4229 28 C 2.7554 1.7198 0.2078 C.2 1 UNL111111111 -0.1758 29 C 3.2219 0.4528 0.2318 C.2 1 UNL111111111 0.0862 30 C 3.2812 2.8282 1.0315 C.3 1 UNL111111111 -0.4068 31 C 4.8411 -1.0981 1.0000 C.3 1 UNL111111111 -0.2049 32 H -2.5808 -0.4477 0.5904 H 1 UNL111111111 0.2085 33 H -2.4913 -0.0587 -1.3240 H 1 UNL111111111 0.1662 34 H -0.9272 1.4097 2.3060 H 1 UNL111111111 0.1658 35 H -1.3506 -2.4459 2.5896 H 1 UNL111111111 0.1393 36 H -0.7941 1.3986 -2.3535 H 1 UNL111111111 0.1647 37 H -2.0564 -0.2409 3.6041 H 1 UNL111111111 0.1403 38 H -3.4195 -0.4110 2.4519 H 1 UNL111111111 0.1489 39 H -2.2050 3.1057 1.2904 H 1 UNL111111111 0.1429 40 H -1.0307 -3.3075 0.3315 H 1 UNL111111111 0.2043 41 H 0.3328 -1.6405 -2.4899 H 1 UNL111111111 0.1644 42 H -2.1004 2.9011 -2.4236 H 1 UNL111111111 0.1479 43 H -2.1337 4.1316 -1.1487 H 1 UNL111111111 0.1616 44 H 1.0491 0.5842 1.7549 H 1 UNL111111111 0.1569 45 H 1.4535 -1.0843 2.2288 H 1 UNL111111111 0.1497 46 H 0.2954 -0.1447 3.2029 H 1 UNL111111111 0.1300 47 H -4.3845 3.4150 -0.6945 H 1 UNL111111111 0.1366 48 H -4.1706 1.8744 -1.6113 H 1 UNL111111111 0.1402 49 H 1.1988 -2.9716 0.1993 H 1 UNL111111111 0.1508 50 H 1.9971 -3.1143 -1.4241 H 1 UNL111111111 0.1521 51 H -0.2630 -3.9599 -1.9965 H 1 UNL111111111 0.3266 52 H 3.2926 3.7772 0.4673 H 1 UNL111111111 0.1720 53 H 4.3069 2.6404 1.3834 H 1 UNL111111111 0.1597 54 H 2.6565 2.9960 1.9236 H 1 UNL111111111 0.1605 55 H 5.5736 -1.0546 1.8160 H 1 UNL111111111 0.1458 56 H 5.3450 -1.1941 0.0316 H 1 UNL111111111 0.1536 57 H 4.1352 -1.9202 1.1555 H 1 UNL111111111 0.1403 @BOND 1 1 16 1 2 1 23 1 3 2 24 1 4 2 51 1 5 3 26 2 6 4 27 2 7 5 29 1 8 5 31 1 9 6 10 1 10 6 13 1 11 6 22 1 12 7 11 1 13 7 17 1 14 7 18 1 15 8 14 1 16 8 16 1 17 8 20 1 18 9 25 3 19 10 11 1 20 10 12 1 21 10 32 1 22 11 14 1 23 11 33 1 24 12 15 1 25 12 16 1 26 12 34 1 27 13 15 1 28 13 17 1 29 13 35 1 30 14 19 1 31 14 36 1 32 15 37 1 33 15 38 1 34 16 39 1 35 17 25 1 36 17 40 1 37 18 21 1 38 18 24 1 39 18 41 1 40 19 21 2 41 19 26 1 42 20 23 1 43 20 42 1 44 20 43 1 45 21 27 1 46 22 44 1 47 22 45 1 48 22 46 1 49 23 47 1 50 23 48 1 51 24 49 1 52 24 50 1 53 26 28 1 54 27 29 1 55 28 29 2 56 28 30 1 57 30 52 1 58 30 53 1 59 30 54 1 60 31 55 1 61 31 56 1 62 31 57 1