@MOLECULE trimethyl (1r,9s,16r,18r)-2,12-diazapentacyclo[14.2.2.0~1,9~.0~3,8~.0~12,16~]icosa-3,5,7-triene-2,9,18-tricarboxylate 62 66 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.7465 2.7392 0.1111 O.3 1 UNL11 -0.4175 2 O 1.9155 -1.0143 -1.7777 O.3 1 UNL11 -0.3925 3 O -1.3707 1.6029 1.9940 O.2 1 UNL11 -0.5271 4 O 0.1806 -1.8248 -2.9484 O.2 1 UNL11 -0.5241 5 O 1.9515 -2.4305 1.4672 O.3 1 UNL11 -0.4227 6 O 3.7624 -1.0783 1.3566 O.2 1 UNL11 -0.5379 7 N -2.7246 -0.0192 -0.3290 N.3 1 UNL11 -0.4725 8 N 1.6801 -0.2855 0.7485 N.am 1 UNL11 -0.5028 9 C 0.2098 -0.4873 0.4478 C.3 1 UNL11 0.3070 10 C -2.4295 -1.3889 0.1750 C.3 1 UNL11 0.2412 11 C -0.2392 0.9444 -0.1149 C.3 1 UNL11 -0.0132 12 C 0.0552 -1.6948 -0.5185 C.3 1 UNL11 -0.2307 13 C -1.3953 -2.1921 -0.6320 C.3 1 UNL11 -0.3086 14 C -0.4599 -0.9088 1.7699 C.3 1 UNL11 -0.3134 15 C -1.9512 -1.2327 1.6364 C.3 1 UNL11 -0.2848 16 C -3.7881 -2.1612 0.1424 C.3 1 UNL11 -0.3235 17 C -0.8286 0.9689 -1.5345 C.3 1 UNL11 -0.2819 18 C -2.2198 0.3091 -1.6710 C.3 1 UNL11 -0.0956 19 C 1.0351 1.7542 -0.1230 C.ar 1 UNL11 -0.1397 20 C -4.1796 0.2322 -0.1631 C.3 1 UNL11 -0.0927 21 C -4.8686 -1.0831 0.2606 C.3 1 UNL11 -0.2979 22 C 2.1193 0.9976 0.3601 C.ar 1 UNL11 0.2363 23 C -1.1893 1.7026 0.8098 C.2 1 UNL11 0.6557 24 C 0.6626 -1.5190 -1.8861 C.2 1 UNL11 0.5923 25 C 2.5753 -1.2405 1.1889 C.2 1 UNL11 0.7350 26 C 1.2195 3.0640 -0.5263 C.ar 1 UNL11 -0.0907 27 C 3.4000 1.5383 0.4307 C.ar 1 UNL11 -0.2205 28 C 2.5015 3.6162 -0.4575 C.ar 1 UNL11 -0.2071 29 C 3.5727 2.8587 0.0128 C.ar 1 UNL11 -0.0917 30 C -2.5780 3.6084 0.8693 C.3 1 UNL11 -0.1679 31 C 2.6163 -0.7913 -2.9966 C.3 1 UNL11 -0.1737 32 C 2.8278 -3.4453 1.9535 C.3 1 UNL11 -0.1562 33 H 0.6398 -2.5532 -0.0582 H 1 UNL11 0.2039 34 H -1.4339 -3.2440 -0.2770 H 1 UNL11 0.1515 35 H -1.7050 -2.2495 -1.6987 H 1 UNL11 0.1742 36 H -0.3057 -0.1234 2.5421 H 1 UNL11 0.1884 37 H 0.0603 -1.7987 2.1832 H 1 UNL11 0.1625 38 H -2.1723 -2.1569 2.2000 H 1 UNL11 0.1335 39 H -2.5487 -0.4337 2.1260 H 1 UNL11 0.1722 40 H -3.8556 -2.9055 0.9475 H 1 UNL11 0.1426 41 H -3.8958 -2.7173 -0.8034 H 1 UNL11 0.1418 42 H -0.1204 0.5478 -2.2674 H 1 UNL11 0.1537 43 H -0.9201 2.0331 -1.8542 H 1 UNL11 0.1635 44 H -2.9046 1.0321 -2.1676 H 1 UNL11 0.1339 45 H -2.1629 -0.5655 -2.3549 H 1 UNL11 0.1355 46 H -4.6435 0.6507 -1.0749 H 1 UNL11 0.1228 47 H -4.2767 1.0038 0.6319 H 1 UNL11 0.1412 48 H -5.7405 -1.3061 -0.3721 H 1 UNL11 0.1369 49 H -5.2462 -1.0108 1.2940 H 1 UNL11 0.1414 50 H 0.3782 3.6584 -0.8826 H 1 UNL11 0.1621 51 H 4.2451 0.9585 0.8018 H 1 UNL11 0.1936 52 H 2.6606 4.6443 -0.7702 H 1 UNL11 0.1487 53 H 4.5664 3.3028 0.0613 H 1 UNL11 0.1464 54 H -2.8929 4.3546 0.1330 H 1 UNL11 0.1367 55 H -2.0063 4.0645 1.6850 H 1 UNL11 0.1392 56 H -3.4335 3.0571 1.2718 H 1 UNL11 0.1333 57 H 3.5936 -0.4323 -2.6500 H 1 UNL11 0.1517 58 H 2.1007 -0.0293 -3.5900 H 1 UNL11 0.1387 59 H 2.7090 -1.7236 -3.5623 H 1 UNL11 0.1399 60 H 2.1506 -4.2955 2.0922 H 1 UNL11 0.1429 61 H 3.2803 -3.1314 2.9008 H 1 UNL11 0.1437 62 H 3.6059 -3.6640 1.2140 H 1 UNL11 0.1429 @BOND 1 1 23 1 2 1 30 1 3 2 24 1 4 2 31 1 5 3 23 2 6 4 24 2 7 5 25 1 8 5 32 1 9 6 25 2 10 7 10 1 11 7 18 1 12 7 20 1 13 8 9 1 14 8 22 1 15 8 25 am 16 9 11 1 17 9 14 1 18 10 13 1 19 10 15 1 20 10 16 1 21 11 17 1 22 11 19 1 23 11 23 1 24 12 9 1 25 12 13 1 26 12 24 1 27 12 33 1 28 13 34 1 29 13 35 1 30 14 15 1 31 14 36 1 32 14 37 1 33 15 38 1 34 15 39 1 35 16 21 1 36 16 40 1 37 16 41 1 38 17 18 1 39 17 42 1 40 17 43 1 41 18 44 1 42 18 45 1 43 19 22 ar 44 19 26 ar 45 20 21 1 46 20 46 1 47 20 47 1 48 21 48 1 49 21 49 1 50 22 27 ar 51 26 28 ar 52 26 50 1 53 27 29 ar 54 27 51 1 55 28 29 ar 56 28 52 1 57 29 53 1 58 30 54 1 59 30 55 1 60 30 56 1 61 31 57 1 62 31 58 1 63 31 59 1 64 32 60 1 65 32 61 1 66 32 62 1