@MOLECULE (2s)-1-methoxy-1-oxo-3-phenyl-2-propanyl [(5s,8r)-5-isopropyl-3,6-dioxo-4,7-diazatricyclo[8.6.2.0~13,17~]octadeca-1(16),10(18),11,13(17),14-pentaen-8-yl]phosphonate 71 74 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -3.7539 -1.3566 -0.3313 O.2 1 UNL1 -0.5306 2 C -4.2411 0.8780 1.2442 C.ar 1 UNL1 0.0199 3 C -5.4911 1.3476 1.5689 C.ar 1 UNL1 -0.1673 4 C -6.0148 2.5012 0.9356 C.ar 1 UNL1 -0.1438 5 C -5.3048 3.1384 -0.0493 C.ar 1 UNL1 -0.1541 6 C -4.0179 2.6648 -0.4197 C.ar 1 UNL1 -0.0166 7 C -3.4567 1.5735 0.2735 C.ar 1 UNL1 0.0060 8 C -2.1436 1.1496 -0.0678 C.ar 1 UNL1 -0.1886 9 C -1.5063 1.6193 -1.1870 C.ar 1 UNL1 0.0340 10 C -2.0902 2.7100 -1.8964 C.ar 1 UNL1 -0.1712 11 C -3.2876 3.2410 -1.4985 C.ar 1 UNL1 -0.1426 12 C -3.7286 -0.3893 1.8703 C.3 1 UNL1 -0.3688 13 C -3.2978 -1.3727 0.7918 C.2 1 UNL1 0.5952 14 C -0.2545 1.0289 -1.7743 C.3 1 UNL1 -0.2861 15 C 0.3511 -0.2578 -1.1270 C.3 1 UNL1 0.1783 16 N -2.3416 -2.3038 1.1714 N.am 1 UNL1 -0.6152 17 C -1.6808 -3.2249 0.2360 C.3 1 UNL1 0.0029 18 C -0.4516 -2.5121 -0.3871 C.2 1 UNL1 0.5425 19 O 0.6575 -2.9926 -0.3346 O.2 1 UNL1 -0.5022 20 C -2.5857 -3.8178 -0.8689 C.3 1 UNL1 -0.0792 21 C -1.7587 -4.7864 -1.7210 C.3 1 UNL1 -0.4672 22 C -3.7755 -4.5517 -0.2464 C.3 1 UNL1 -0.4450 23 N -0.6936 -1.2720 -0.9506 N.am 1 UNL1 -0.5981 24 P 1.2562 0.0943 0.5107 P.3 1 UNL1 0.2227 25 O 0.6232 0.9315 1.5819 O.3 1 UNL1 -0.2135 26 O 1.6593 -1.0279 1.4273 O.2 1 UNL1 -0.1077 27 C 3.5242 1.5170 0.2303 C.3 1 UNL1 0.1025 28 C 4.7706 0.9564 -0.4842 C.3 1 UNL1 -0.3201 29 C 4.9017 -0.4948 -0.1339 C.ar 1 UNL1 0.0270 30 C 4.3450 -1.4627 -0.9731 C.ar 1 UNL1 -0.1482 31 C 5.5234 -0.8773 1.0560 C.ar 1 UNL1 -0.1756 32 C 4.3862 -2.8059 -0.6076 C.ar 1 UNL1 -0.1253 33 C 5.5763 -2.2238 1.4095 C.ar 1 UNL1 -0.1399 34 C 5.0032 -3.1882 0.5824 C.ar 1 UNL1 -0.1604 35 C 3.2728 2.9518 -0.2443 C.2 1 UNL1 0.5596 36 C 3.5318 5.1930 0.4582 C.3 1 UNL1 -0.1690 37 O 2.4363 0.7877 -0.3203 O.3 1 UNL1 -0.3432 38 O 3.7174 3.8056 0.7128 O.3 1 UNL1 -0.4188 39 O 2.7857 3.3215 -1.2769 O.2 1 UNL1 -0.4901 40 H -6.1104 0.8343 2.3019 H 1 UNL1 0.1518 41 H -6.9997 2.8578 1.2309 H 1 UNL1 0.1492 42 H -5.7151 4.0038 -0.5654 H 1 UNL1 0.1518 43 H -1.6792 0.4339 0.6065 H 1 UNL1 0.1709 44 H -1.5585 3.1240 -2.7516 H 1 UNL1 0.1547 45 H -3.7164 4.0981 -2.0150 H 1 UNL1 0.1513 46 H -2.8951 -0.1469 2.5667 H 1 UNL1 0.1827 47 H -4.5119 -0.8719 2.4949 H 1 UNL1 0.1791 48 H 0.5309 1.8285 -1.8479 H 1 UNL1 0.1981 49 H -0.4762 0.7657 -2.8383 H 1 UNL1 0.1638 50 H 1.1434 -0.6848 -1.8383 H 1 UNL1 0.1925 51 H -1.8875 -2.2263 2.0725 H 1 UNL1 0.3177 52 H -1.2748 -4.0791 0.8529 H 1 UNL1 0.1698 53 H -2.9725 -2.9958 -1.5244 H 1 UNL1 0.1727 54 H -1.3906 -5.6358 -1.1351 H 1 UNL1 0.1491 55 H -2.3588 -5.1919 -2.5432 H 1 UNL1 0.1494 56 H -0.8846 -4.2968 -2.1689 H 1 UNL1 0.1568 57 H -3.4586 -5.3380 0.4448 H 1 UNL1 0.1395 58 H -4.4227 -3.8571 0.3046 H 1 UNL1 0.1558 59 H -4.3962 -5.0186 -1.0199 H 1 UNL1 0.1463 60 H -1.6624 -0.9578 -1.0564 H 1 UNL1 0.3387 61 H 3.6440 1.4745 1.3406 H 1 UNL1 0.1686 62 H 4.6695 1.0919 -1.5823 H 1 UNL1 0.1696 63 H 5.6684 1.5327 -0.1875 H 1 UNL1 0.1586 64 H 3.8547 -1.1670 -1.8982 H 1 UNL1 0.1518 65 H 5.9539 -0.1275 1.7140 H 1 UNL1 0.1466 66 H 3.9165 -3.5554 -1.2423 H 1 UNL1 0.1507 67 H 6.0552 -2.5216 2.3390 H 1 UNL1 0.1423 68 H 5.0255 -4.2364 0.8695 H 1 UNL1 0.1460 69 H 4.1113 5.4953 -0.4193 H 1 UNL1 0.1339 70 H 2.4684 5.4111 0.3089 H 1 UNL1 0.1427 71 H 3.9107 5.6659 1.3714 H 1 UNL1 0.1451 @BOND 1 49 14 1 2 44 10 1 3 55 21 1 4 56 21 1 5 45 11 1 6 64 30 1 7 10 11 ar 8 10 9 ar 9 48 14 1 10 50 15 1 11 14 9 1 12 14 15 1 13 21 54 1 14 21 20 1 15 62 28 1 16 53 20 1 17 11 6 ar 18 39 35 2 19 66 32 1 20 9 8 ar 21 15 23 1 22 15 24 1 23 60 23 1 24 59 22 1 25 30 32 ar 26 30 29 ar 27 23 18 am 28 20 22 1 29 20 17 1 30 32 34 ar 31 42 5 1 32 28 63 1 33 28 29 1 34 28 27 1 35 6 5 ar 36 6 7 ar 37 69 36 1 38 18 19 2 39 18 17 1 40 1 13 2 41 37 27 1 42 37 24 1 43 22 58 1 44 22 57 1 45 35 27 1 46 35 38 1 47 29 31 ar 48 8 7 ar 49 8 43 1 50 5 4 ar 51 27 61 1 52 17 52 1 53 17 16 1 54 7 2 ar 55 70 36 1 56 36 38 1 57 36 71 1 58 24 26 2 59 24 25 1 60 34 68 1 61 34 33 ar 62 13 16 am 63 13 12 1 64 4 41 1 65 4 3 ar 66 31 33 ar 67 31 65 1 68 16 51 1 69 2 3 ar 70 2 12 1 71 33 67 1 72 3 40 1 73 12 47 1 74 12 46 1