@MOLECULE methyl (1r,3r,4r,10s,14r,16z,18r)-18-(hydroxymethyl)-14-methyl-15,19-dioxo-12-azapentacyclo[10.6.1.1~1,4~.0~7,20~.0~10,18~]icosa-7(20),16-diene-3-carboxylate 58 62 0 0 0 SMALL USER_CHARGES @ATOM 1 O -1.0440 2.5024 -0.5832 O.2 1 UNL1111111111111 -0.5451 2 O -0.0218 -2.5646 2.1523 O.3 1 UNL1111111111111 -0.5540 3 O 4.6650 1.2770 0.6770 O.3 1 UNL1111111111111 -0.4186 4 O 3.2692 -0.1795 1.6510 O.2 1 UNL1111111111111 -0.5300 5 O -4.2945 -0.9881 0.6464 O.2 1 UNL1111111111111 -0.4570 6 N -2.0292 0.5898 -1.2314 N.am 1 UNL1111111111111 -0.5009 7 C 0.1409 0.4723 -0.0099 C.3 1 UNL1111111111111 -0.0365 8 C -0.4958 -0.6971 0.7858 C.3 1 UNL1111111111111 0.0126 9 C 1.0821 0.0046 -1.0603 C.2 1 UNL1111111111111 -0.0915 10 C 2.1732 1.0411 -1.2505 C.3 1 UNL1111111111111 -0.0996 11 C 1.0140 1.4356 0.8612 C.3 1 UNL1111111111111 -0.2721 12 C -1.2802 -1.6169 -0.1814 C.3 1 UNL1111111111111 -0.1350 13 C 2.3992 1.5742 0.1799 C.3 1 UNL1111111111111 -0.1920 14 C 1.3230 -1.1263 -1.7329 C.2 1 UNL1111111111111 0.0169 15 C 3.2976 0.2946 -1.9902 C.3 1 UNL1111111111111 -0.2790 16 C -1.0022 1.2883 -0.6261 C.2 1 UNL1111111111111 0.5747 17 C -0.4530 -2.7593 -0.7989 C.3 1 UNL1111111111111 -0.2739 18 C -1.9808 -0.8680 -1.3491 C.3 1 UNL1111111111111 -0.1019 19 C 2.6399 -1.0222 -2.4816 C.3 1 UNL1111111111111 -0.2831 20 C 0.5514 -2.3802 -1.8992 C.3 1 UNL1111111111111 -0.2802 21 C 0.6357 -1.4875 1.5014 C.3 1 UNL1111111111111 -0.0168 22 C -1.3621 -0.1511 1.9009 C.2 1 UNL1111111111111 -0.0749 23 C 3.4282 0.7656 0.9222 C.2 1 UNL1111111111111 0.6087 24 C -3.3517 1.2229 -1.2778 C.3 1 UNL1111111111111 -0.0511 25 C -2.6668 0.1215 1.9496 C.2 1 UNL1111111111111 -0.3174 26 C -3.9634 1.3252 0.1423 C.3 1 UNL1111111111111 -0.2362 27 C -3.6857 0.0236 0.8871 C.2 1 UNL1111111111111 0.4902 28 C -5.4649 1.5680 0.0633 C.3 1 UNL1111111111111 -0.4382 29 C 5.7561 0.6097 1.3001 C.3 1 UNL1111111111111 -0.1710 30 H 1.7978 1.8816 -1.8836 H 1 UNL1111111111111 0.1646 31 H 1.1082 1.0730 1.8969 H 1 UNL1111111111111 0.1578 32 H 0.5343 2.4337 0.9373 H 1 UNL1111111111111 0.1848 33 H -2.0766 -2.1098 0.4465 H 1 UNL1111111111111 0.1786 34 H 2.7205 2.6426 0.1499 H 1 UNL1111111111111 0.1779 35 H 4.1618 0.0830 -1.3421 H 1 UNL1111111111111 0.1482 36 H 3.6903 0.8871 -2.8301 H 1 UNL1111111111111 0.1419 37 H -1.1629 -3.5026 -1.2222 H 1 UNL1111111111111 0.1393 38 H 0.0661 -3.3188 0.0066 H 1 UNL1111111111111 0.1680 39 H -1.4618 -1.0793 -2.3157 H 1 UNL1111111111111 0.1520 40 H -3.0117 -1.2783 -1.4620 H 1 UNL1111111111111 0.1567 41 H 3.2863 -1.8909 -2.2774 H 1 UNL1111111111111 0.1439 42 H 2.4715 -1.0007 -3.5717 H 1 UNL1111111111111 0.1480 43 H 0.0177 -2.3225 -2.8781 H 1 UNL1111111111111 0.1515 44 H 1.2559 -3.2352 -2.0188 H 1 UNL1111111111111 0.1485 45 H 1.1619 -0.8752 2.2565 H 1 UNL1111111111111 0.1353 46 H 1.3865 -1.8830 0.7953 H 1 UNL1111111111111 0.1410 47 H -0.7813 0.0236 2.8209 H 1 UNL1111111111111 0.1556 48 H -4.0174 0.6466 -1.9553 H 1 UNL1111111111111 0.1483 49 H -3.2431 2.2459 -1.7125 H 1 UNL1111111111111 0.1663 50 H -3.1107 0.4829 2.8866 H 1 UNL1111111111111 0.1749 51 H -3.4692 2.1770 0.6741 H 1 UNL1111111111111 0.1721 52 H 0.5963 -3.0118 2.7608 H 1 UNL1111111111111 0.3126 53 H -5.9891 0.7049 -0.3725 H 1 UNL1111111111111 0.1633 54 H -5.6992 2.4474 -0.5476 H 1 UNL1111111111111 0.1488 55 H -5.8979 1.7354 1.0571 H 1 UNL1111111111111 0.1496 56 H 6.6250 1.1881 0.9659 H 1 UNL1111111111111 0.1451 57 H 5.8102 -0.4286 0.9568 H 1 UNL1111111111111 0.1379 58 H 5.6486 0.6448 2.3895 H 1 UNL1111111111111 0.1404 @BOND 1 42 19 1 2 43 20 1 3 36 15 1 4 19 41 1 5 19 15 1 6 19 14 1 7 39 18 1 8 44 20 1 9 15 35 1 10 15 10 1 11 48 24 1 12 20 14 1 13 20 17 1 14 30 10 1 15 14 9 2 16 49 24 1 17 40 18 1 18 18 6 1 19 18 12 1 20 24 6 1 21 24 26 1 22 10 9 1 23 10 13 1 24 6 16 am 25 37 17 1 26 9 7 1 27 17 12 1 28 17 38 1 29 16 1 2 30 16 7 1 31 54 28 1 32 53 28 1 33 12 33 1 34 12 8 1 35 7 8 1 36 7 11 1 37 28 26 1 38 28 55 1 39 26 51 1 40 26 27 1 41 34 13 1 42 13 11 1 43 13 23 1 44 5 27 2 45 3 23 1 46 3 29 1 47 8 21 1 48 8 22 1 49 46 21 1 50 11 32 1 51 11 31 1 52 27 25 1 53 23 4 2 54 57 29 1 55 56 29 1 56 29 58 1 57 21 2 1 58 21 45 1 59 22 25 2 60 22 47 1 61 25 50 1 62 2 52 1