@MOLECULE methyl (1r,2s,16e)-16-ethylidene-2-(hydroxymethyl)-4,14-diazatetracyclo[12.2.2.0~3,11~.0~5,10~]octadeca-3(11),5,7,9-tetraene-2-carboxylate 52 55 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.7479 -2.5314 2.0677 O.3 1 UNL1111111111 -0.5539 2 O 2.9436 -1.9461 -0.3810 O.3 1 UNL1111111111 -0.4234 3 O 0.9926 -2.3681 -1.4061 O.2 1 UNL1111111111 -0.4622 4 N 0.5906 2.6911 -1.2281 N.3 1 UNL1111111111 -0.4287 5 N -1.2864 -1.0041 1.1558 N.ar 1 UNL1111111111 -0.3808 6 C 1.9634 0.5714 0.3064 C.3 1 UNL1111111111 -0.0982 7 C 1.0993 -0.7290 0.4272 C.3 1 UNL1111111111 -0.0822 8 C 2.3903 0.9044 -1.1354 C.3 1 UNL1111111111 -0.3268 9 C 1.3005 1.7363 0.9941 C.2 1 UNL1111111111 -0.0387 10 C -0.3641 -0.5519 0.1897 C.ar 1 UNL1111111111 0.0548 11 C 1.9742 2.3260 -1.5531 C.3 1 UNL1111111111 -0.0885 12 C 0.3100 2.5534 0.2157 C.3 1 UNL1111111111 -0.1112 13 C -1.0635 -0.0127 -0.8843 C.ar 1 UNL1111111111 -0.0674 14 C -0.4270 2.0884 -2.1013 C.3 1 UNL1111111111 -0.0876 15 C 1.3926 -1.3005 1.8480 C.3 1 UNL1111111111 -0.0070 16 C -0.5462 0.5482 -2.1456 C.3 1 UNL1111111111 -0.3021 17 C 1.6083 -1.7588 -0.5756 C.2 1 UNL1111111111 0.5639 18 C -2.4686 -0.1355 -0.5910 C.ar 1 UNL1111111111 -0.0993 19 C -2.5707 -0.7828 0.6790 C.ar 1 UNL1111111111 0.1238 20 C 1.6225 2.0300 2.2620 C.2 1 UNL1111111111 -0.1812 21 C -3.6407 0.2192 -1.2675 C.ar 1 UNL1111111111 -0.0925 22 C -3.8087 -1.0747 1.2720 C.ar 1 UNL1111111111 -0.2119 23 C 1.1051 3.1945 3.0330 C.3 1 UNL1111111111 -0.4360 24 C -4.8598 -0.0681 -0.6822 C.ar 1 UNL1111111111 -0.2046 25 C -4.9427 -0.7082 0.5749 C.ar 1 UNL1111111111 -0.1106 26 C 3.5707 -2.9105 -1.2225 C.3 1 UNL1111111111 -0.1646 27 H 2.9262 0.3524 0.8520 H 1 UNL1111111111 0.1519 28 H 1.9830 0.1780 -1.8646 H 1 UNL1111111111 0.1524 29 H 3.4890 0.8051 -1.2257 H 1 UNL1111111111 0.1444 30 H 2.6324 3.0688 -1.0436 H 1 UNL1111111111 0.1412 31 H 2.1326 2.4627 -2.6443 H 1 UNL1111111111 0.1342 32 H -0.7154 2.1421 0.3902 H 1 UNL1111111111 0.1632 33 H 0.2914 3.6058 0.5989 H 1 UNL1111111111 0.1493 34 H -0.2244 2.4618 -3.1315 H 1 UNL1111111111 0.1344 35 H -1.4122 2.5161 -1.8011 H 1 UNL1111111111 0.1435 36 H 0.9813 -0.6400 2.6371 H 1 UNL1111111111 0.1636 37 H 2.4774 -1.4380 2.0128 H 1 UNL1111111111 0.1405 38 H 0.4250 0.0863 -2.4193 H 1 UNL1111111111 0.1554 39 H -1.2236 0.2693 -2.9844 H 1 UNL1111111111 0.1572 40 H -1.0440 -1.6189 1.9085 H 1 UNL1111111111 0.3388 41 H 2.3391 1.4232 2.8158 H 1 UNL1111111111 0.1409 42 H -3.5825 0.7087 -2.2367 H 1 UNL1111111111 0.1482 43 H 0.9959 -3.1850 1.3807 H 1 UNL1111111111 0.3301 44 H -3.8615 -1.5702 2.2336 H 1 UNL1111111111 0.1557 45 H 1.0514 2.9796 4.1102 H 1 UNL1111111111 0.1497 46 H 0.0994 3.5079 2.7241 H 1 UNL1111111111 0.1545 47 H 1.7717 4.0644 2.9087 H 1 UNL1111111111 0.1545 48 H -5.7835 0.1965 -1.1913 H 1 UNL1111111111 0.1456 49 H -5.9260 -0.9130 0.9938 H 1 UNL1111111111 0.1432 50 H 3.1235 -3.8971 -1.0648 H 1 UNL1111111111 0.1385 51 H 4.6140 -2.8855 -0.8867 H 1 UNL1111111111 0.1447 52 H 3.4832 -2.6161 -2.2732 H 1 UNL1111111111 0.1414 @BOND 1 1 15 1 2 1 43 1 3 2 17 1 4 2 26 1 5 3 17 2 6 4 11 1 7 4 12 1 8 4 14 1 9 5 10 ar 10 5 19 ar 11 5 40 1 12 6 7 1 13 6 8 1 14 6 9 1 15 6 27 1 16 7 10 1 17 7 15 1 18 7 17 1 19 8 11 1 20 8 28 1 21 8 29 1 22 9 12 1 23 9 20 2 24 10 13 ar 25 11 30 1 26 11 31 1 27 12 32 1 28 12 33 1 29 13 16 1 30 13 18 ar 31 14 16 1 32 14 34 1 33 14 35 1 34 15 36 1 35 15 37 1 36 16 38 1 37 16 39 1 38 18 19 ar 39 18 21 ar 40 19 22 ar 41 20 23 1 42 20 41 1 43 21 24 ar 44 21 42 1 45 22 25 ar 46 22 44 1 47 23 45 1 48 23 46 1 49 23 47 1 50 24 25 ar 51 24 48 1 52 25 49 1 53 26 50 1 54 26 51 1 55 26 52 1